*HEADER    CELL ADHESION                           05-APR-16   5J6Z              
*TITLE     STRUCTURE OF ANASTELLIN BOUND TO BETA-STRANDS A AND B FROM THE THIRD  
*TITLE    2 TYPE III DOMAIN OF FIBRONECTIN                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FIBRONECTIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 806-834;                                          
*COMPND   5 SYNONYM: FN,COLD-INSOLUBLE GLOBULIN,CIG;                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: ANASTELLIN;                                                
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 SYNONYM: FN,COLD-INSOLUBLE GLOBULIN,CIG;                             
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: FN1, FN;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: CODONPLUS(DE3)-RIPL;                       
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  12 ORGANISM_TAXID: 9606;                                                
*SOURCE  13 GENE: FN1, FN;                                                       
*SOURCE  14 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  15 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE  16 EXPRESSION_SYSTEM_STRAIN: M15[PREP4]                                 
*KEYWDS    EXTRACELLULAR MATRIX PROTEIN, CELL ADHESION                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    19                                                                    
*AUTHOR    J.M.STINE,K.BRIKNAROVA                                                
*REVDAT   1   12-APR-17 5J6Z    0                                                
# Restraints file 1: unambig.tbl
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1) 2.512 0.789 0.789 weight 1.000 ! spec=Expt_15, no=4, id=2, vol=2.230089e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_15, no=5, id=3, vol=1.477565e+06
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   30 and name  HD1) 2.119 0.561 0.561 weight 1.000 ! spec=Expt_15, no=9, id=6, vol=3.120042e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name   HN) 2.906 1.055 1.055 weight 1.000 ! spec=Expt_15, no=11, id=8, vol=8.804109e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB2) 2.460 0.756 0.756 weight 1.000 ! spec=Expt_15, no=12, id=9, vol=2.131536e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HB1) 2.571 0.826 0.826 weight 1.000 ! spec=Expt_15, no=13, id=10, vol=2.165869e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name   HA) 3.923 1.924 1.924 weight 1.000 ! spec=Expt_15, no=14, id=11, vol=5.770097e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   13 and name   HA) 2.673 0.893 0.893 weight 1.000 ! spec=Expt_15, no=17, id=12, vol=1.464111e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   15 and name   HA) 2.320 0.673 0.673 weight 1.000 ! spec=Expt_15, no=29, id=18, vol=2.794282e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG21) 2.313 0.669 0.669 weight 1.000 ! spec=Expt_15, no=31, id=20, vol=2.742505e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG22)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG22) 2.149 0.577 0.577 weight 1.000 ! spec=Expt_15, no=32, id=21, vol=4.369207e+06
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name HG21)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG21) 2.146 0.575 0.575 weight 1.000 ! spec=Expt_15, no=33, id=22, vol=2.796880e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG23)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name   HB) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_15, no=36, id=24, vol=6.460385e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name   HB) 2.666 0.889 0.889 weight 1.000 ! spec=Expt_15, no=40, id=27, vol=1.066768e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name   HN) 2.822 0.995 0.995 weight 1.000 ! spec=Expt_15, no=43, id=28, vol=1.067444e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB1) 1.708 0.365 0.365 weight 1.000 ! spec=Expt_15, no=47, id=29, vol=6.854991e+06
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB3)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name   HN) 3.106 1.206 1.206 weight 1.000 ! spec=Expt_15, no=48, id=30, vol=4.534953e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   95 and name  HB2) 2.433 0.740 0.740 weight 1.000 ! spec=Expt_15, no=51, id=31, vol=1.589061e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   10 and name  HD2) 2.216 0.614 0.614 weight 1.000 ! spec=Expt_15, no=52, id=32, vol=6.934604e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   10 and name  HD1) 1.649 0.340 0.340 weight 1.000 ! spec=Expt_15, no=53, id=33, vol=8.243661e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.725 0.928 0.928 weight 1.000 ! spec=Expt_15, no=56, id=36, vol=1.365117e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_15, no=60, id=37, vol=1.905894e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 2.803 0.982 0.982 weight 1.000 ! spec=Expt_15, no=61, id=38, vol=1.133831e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name  HE3) 3.144 1.236 1.236 weight 1.000 ! spec=Expt_15, no=69, id=40, vol=5.685673e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1) 2.785 0.969 0.969 weight 1.000 ! spec=Expt_15, no=72, id=43, vol=1.168298e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.786 0.970 0.970 weight 1.000 ! spec=Expt_15, no=74, id=44, vol=8.794740e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   B" and resid   75 and name   HG) 2.892 1.046 1.046 weight 1.000 ! spec=Expt_15, no=77, id=45, vol=9.630895e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HB) 2.192 0.601 0.601 weight 1.000 ! spec=Expt_15, no=88, id=49, vol=2.942791e+06
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG12) 2.740 0.938 0.938 weight 1.000 ! spec=Expt_15, no=89, id=50, vol=1.973580e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG11)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name HG13)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name   HN) 3.167 1.254 1.254 weight 1.000 ! spec=Expt_15, no=90, id=51, vol=6.855414e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name   HN) 3.037 1.153 1.153 weight 1.000 ! spec=Expt_15, no=95, id=53, vol=8.410290e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name   HB) 2.591 0.839 0.839 weight 1.000 ! spec=Expt_15, no=96, id=54, vol=2.094138e+06
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HG22) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_15, no=98, id=55, vol=2.963949e+06
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HG21)
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name HG23)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name HG21) 3.180 1.264 1.264 weight 1.000 ! spec=Expt_15, no=99, id=56, vol=1.122860e+06
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   15 and name   HN) 2.239 0.626 0.626 weight 1.000 ! spec=Expt_15, no=101, id=57, vol=4.400568e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name   HB) 2.976 1.107 1.107 weight 1.000 ! spec=Expt_15, no=103, id=59, vol=7.382957e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name   HN) 4.093 2.094 2.094 weight 1.000 ! spec=Expt_15, no=106, id=61, vol=2.235179e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB2) 2.847 1.013 1.013 weight 1.000 ! spec=Expt_15, no=117, id=66, vol=9.154704e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   27 and name  HB2) 3.519 1.548 1.548 weight 1.000 ! spec=Expt_15, no=118, id=67, vol=5.822555e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   27 and name  HB1) 4.218 2.224 2.224 weight 1.000 ! spec=Expt_15, no=119, id=68, vol=4.771083e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB2) 3.054 1.166 1.166 weight 1.000 ! spec=Expt_15, no=121, id=70, vol=1.168748e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.253 0.635 0.635 weight 1.000 ! spec=Expt_15, no=123, id=72, vol=2.210425e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HD2) 3.572 1.595 1.595 weight 1.000 ! spec=Expt_15, no=124, id=73, vol=5.288930e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HD1) 3.045 1.159 1.159 weight 1.000 ! spec=Expt_15, no=126, id=74, vol=9.210133e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB1) 2.494 0.778 0.778 weight 1.000 ! spec=Expt_15, no=140, id=78, vol=2.788447e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB2) 2.431 0.739 0.739 weight 1.000 ! spec=Expt_15, no=142, id=80, vol=3.561736e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HD2) 3.970 1.970 1.970 weight 1.000 ! spec=Expt_15, no=143, id=81, vol=4.191744e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HD1) 3.295 1.357 1.357 weight 1.000 ! spec=Expt_15, no=144, id=82, vol=8.186911e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name  HB1) 1.895 0.449 0.449 weight 1.000 ! spec=Expt_15, no=148, id=84, vol=3.014451e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   71 and name HG21) 2.338 0.683 0.683 weight 1.000 ! spec=Expt_15, no=151, id=87, vol=1.044021e+06
    or (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   71 and name HG23)
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name   HA) 3.086 1.191 1.191 weight 1.000 ! spec=Expt_15, no=153, id=89, vol=9.358527e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name   HA) 2.946 1.085 1.085 weight 1.000 ! spec=Expt_15, no=159, id=95, vol=1.124428e+06
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   21 and name   HN) 4.328 2.342 2.342 weight 1.000 ! spec=Expt_15, no=160, id=96, vol=5.897403e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   A" and resid   21 and name   HN) 3.399 1.444 1.444 weight 1.000 ! spec=Expt_15, no=161, id=97, vol=6.559658e+05
assign (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   71 and name HG21) 3.368 1.418 1.418 weight 1.000 ! spec=Expt_15, no=162, id=98, vol=1.064959e+06
    or (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   71 and name HG22)
    or (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   71 and name HG23)
assign (segid "   A" and resid   21 and name   HB) (segid "   B" and resid   75 and name   HN) 2.990 1.118 1.118 weight 1.000 ! spec=Expt_15, no=166, id=100, vol=7.919490e+05
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   15 and name   HA) 3.287 1.351 1.351 weight 1.000 ! spec=Expt_15, no=173, id=104, vol=9.506840e+05
assign (segid "   A" and resid   23 and name HG11) (segid "   B" and resid   72 and name HD12) 3.213 1.291 1.291 weight 1.000 ! spec=Expt_16, no=7, id=107, vol=8.670849e+05
    or (segid "   A" and resid   23 and name HG11) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   23 and name HG11) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   10 and name  HB1) (segid "   B" and resid   85 and name   HG) 3.610 1.629 1.629 weight 1.000 ! spec=Expt_16, no=10, id=109, vol=1.055317e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   B" and resid   85 and name   HG) 3.329 1.385 1.385 weight 1.000 ! spec=Expt_16, no=11, id=110, vol=9.105827e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   B" and resid   85 and name   HG) 3.596 1.616 1.616 weight 1.000 ! spec=Expt_16, no=13, id=111, vol=8.249180e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   B" and resid   85 and name   HG) 4.151 2.154 2.154 weight 1.000 ! spec=Expt_16, no=14, id=112, vol=5.787040e+05
assign (segid "   A" and resid   23 and name HG12) (segid "   B" and resid   72 and name HD12) 3.531 1.559 1.559 weight 1.000 ! spec=Expt_16, no=16, id=114, vol=5.289608e+05
    or (segid "   A" and resid   23 and name HG12) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   23 and name HG12) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   13 and name  HD2) (segid "   B" and resid   85 and name   HG) 4.315 2.328 2.328 weight 1.000 ! spec=Expt_16, no=21, id=119, vol=4.048225e+05
assign (segid "   A" and resid   23 and name HD11) (segid "   B" and resid   72 and name HD12) 1.833 0.420 0.420 weight 1.000 ! spec=Expt_16, no=23, id=120, vol=3.865642e+06
    or (segid "   A" and resid   23 and name HD11) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   23 and name HD11) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   23 and name HD11) 2.048 0.524 0.524 weight 1.000 ! spec=Expt_16, no=24, id=121, vol=5.855664e+06
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   23 and name HD11) 1.744 0.380 0.380 weight 1.000 ! spec=Expt_16, no=26, id=122, vol=2.745752e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   72 and name HD12) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_16, no=27, id=123, vol=4.452755e+05
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD12) 2.424 0.735 0.735 weight 1.000 ! spec=Expt_16, no=28, id=124, vol=2.040957e+06
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   23 and name HD11) 2.096 0.549 0.549 weight 1.000 ! spec=Expt_16, no=35, id=126, vol=5.870305e+06
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HD2) 3.583 1.605 1.605 weight 1.000 ! spec=Expt_16, no=44, id=133, vol=1.532462e+06
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HD1) 3.750 1.758 1.758 weight 1.000 ! spec=Expt_16, no=45, id=134, vol=1.398024e+06
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HD1) 3.441 1.480 1.480 weight 1.000 ! spec=Expt_16, no=47, id=135, vol=1.212018e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HG1) 3.979 1.979 1.979 weight 1.000 ! spec=Expt_16, no=54, id=138, vol=1.476355e+06
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HB1) 1.722 0.371 0.371 weight 1.000 ! spec=Expt_16, no=64, id=145, vol=1.419858e+07
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   30 and name  HD2) 2.332 0.680 0.680 weight 1.000 ! spec=Expt_16, no=68, id=149, vol=2.518382e+06
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HB1) 4.358 2.374 2.374 weight 1.000 ! spec=Expt_16, no=70, id=151, vol=8.125341e+05
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HB1) 5.222 3.409 3.409 weight 1.000 ! spec=Expt_16, no=71, id=152, vol=4.734901e+05
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HD1) 3.705 1.716 1.716 weight 1.000 ! spec=Expt_16, no=98, id=170, vol=5.653100e+05
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   27 and name  HE3) 3.582 1.604 1.604 weight 1.000 ! spec=Expt_16, no=99, id=171, vol=5.476278e+05
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   27 and name  HB2) 2.408 0.725 0.725 weight 1.000 ! spec=Expt_16, no=105, id=176, vol=1.774943e+06
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HN) 3.693 1.705 1.705 weight 1.000 ! spec=Expt_16, no=107, id=178, vol=8.583558e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_16, no=116, id=186, vol=2.001442e+06
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HA) 3.025 1.144 1.144 weight 1.000 ! spec=Expt_16, no=117, id=187, vol=1.900408e+06
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   24 and name HG13) 4.790 2.868 2.868 weight 1.000 ! spec=Expt_16, no=132, id=198, vol=7.619033e+05
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   24 and name HG12)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   24 and name HG13) 4.557 2.595 2.595 weight 1.000 ! spec=Expt_16, no=133, id=199, vol=6.723907e+05
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   24 and name HG12)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   27 and name  HE3) 2.330 0.678 0.678 weight 1.000 ! spec=Expt_16, no=151, id=212, vol=4.258200e+06
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   27 and name  HE3)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   27 and name  HE3)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   27 and name  HZ3) 2.541 0.807 0.807 weight 1.000 ! spec=Expt_16, no=152, id=213, vol=2.955708e+06
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   70 and name  HD2) 2.795 0.977 0.977 weight 1.000 ! spec=Expt_16, no=153, id=214, vol=3.143312e+06
    or (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   70 and name  HD1)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   70 and name  HD2)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   70 and name  HD1)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   70 and name  HD2)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   70 and name  HD1)
assign (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   27 and name  HZ3) 3.168 1.254 1.254 weight 1.000 ! spec=Expt_16, no=154, id=215, vol=1.055638e+06
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   A" and resid   24 and name HG13) (segid "   B" and resid   71 and name   HA) 2.853 1.018 1.018 weight 1.000 ! spec=Expt_16, no=157, id=218, vol=3.506318e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   B" and resid   71 and name   HA)
    or (segid "   A" and resid   24 and name HG12) (segid "   B" and resid   71 and name   HA)
assign (segid "   A" and resid   15 and name HG13) (segid "   B" and resid  101 and name  HB1) 3.351 1.403 1.403 weight 1.000 ! spec=Expt_16, no=158, id=219, vol=1.336681e+06
    or (segid "   A" and resid   15 and name HG11) (segid "   B" and resid  101 and name  HB1)
    or (segid "   A" and resid   15 and name HG12) (segid "   B" and resid  101 and name  HB1)
assign (segid "   A" and resid   15 and name HG13) (segid "   B" and resid  101 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=Expt_16, no=160, id=220, vol=1.658441e+06
    or (segid "   A" and resid   15 and name HG11) (segid "   B" and resid  101 and name  HB2)
    or (segid "   A" and resid   15 and name HG12) (segid "   B" and resid  101 and name  HB2)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   70 and name  HB1) 4.274 2.284 2.284 weight 1.000 ! spec=Expt_16, no=167, id=221, vol=6.147788e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   70 and name  HB1)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   70 and name  HB1)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   27 and name  HB2) 3.692 1.704 1.704 weight 1.000 ! spec=Expt_16, no=168, id=222, vol=6.387737e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   27 and name  HB2)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   70 and name  HB2) 3.440 1.479 1.479 weight 1.000 ! spec=Expt_16, no=169, id=223, vol=6.666872e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   70 and name  HB2)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   70 and name  HB2)
assign (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   16 and name  HB1) 4.020 2.020 2.020 weight 1.000 ! spec=Expt_16, no=170, id=224, vol=1.373446e+06
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   16 and name  HB2) 3.135 1.228 1.228 weight 1.000 ! spec=Expt_16, no=172, id=225, vol=1.866819e+06
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid  101 and name  HB1) 3.273 1.339 1.339 weight 1.000 ! spec=Expt_16, no=183, id=227, vol=1.535168e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid  101 and name  HB1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid  101 and name  HB1)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid  101 and name  HB2) 2.672 0.893 0.893 weight 1.000 ! spec=Expt_16, no=185, id=229, vol=1.456084e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid  101 and name  HB2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid  101 and name  HB2)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name  HB1) 4.483 2.512 2.512 weight 1.000 ! spec=Expt_16, no=189, id=231, vol=1.515161e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name  HB2) 3.402 1.447 1.447 weight 1.000 ! spec=Expt_16, no=190, id=232, vol=1.917626e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name   HB) 1.948 0.474 0.474 weight 1.000 ! spec=Expt_16, no=192, id=233, vol=7.425804e+06
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG12) 1.963 0.482 0.482 weight 1.000 ! spec=Expt_16, no=193, id=234, vol=5.446473e+06
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG11)
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG13)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG21) 1.948 0.474 0.474 weight 1.000 ! spec=Expt_16, no=198, id=235, vol=5.902777e+06
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG23)
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name HG22)
assign (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   24 and name   HB) 1.792 0.401 0.401 weight 1.000 ! spec=Expt_16, no=199, id=236, vol=9.105962e+06
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   24 and name   HB)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   24 and name   HB)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   24 and name   HB) 1.925 0.463 0.463 weight 1.000 ! spec=Expt_16, no=202, id=238, vol=5.698703e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   24 and name   HB)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   24 and name   HB)
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   24 and name   HN) 2.805 0.983 0.983 weight 1.000 ! spec=Expt_16, no=207, id=243, vol=1.428728e+06
assign (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   24 and name   HN) 3.775 1.782 1.782 weight 1.000 ! spec=Expt_16, no=208, id=244, vol=1.379721e+06
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   24 and name   HN)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   23 and name HD11) (segid "   A" and resid   25 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=Expt_16, no=211, id=245, vol=1.180098e+06
    or (segid "   A" and resid   23 and name HD13) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   23 and name HD12) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   23 and name HG23) (segid "   B" and resid  101 and name  HD1) 3.080 1.186 1.186 weight 1.000 ! spec=Expt_16, no=213, id=246, vol=1.591606e+06
    or (segid "   A" and resid   23 and name HG23) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   23 and name HG21) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   23 and name HG21) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   23 and name HG22) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   23 and name HG22) (segid "   B" and resid  101 and name  HD2)
assign (segid "   A" and resid   23 and name HD11) (segid "   B" and resid  101 and name  HD1) 2.895 1.048 1.048 weight 1.000 ! spec=Expt_16, no=214, id=247, vol=3.154346e+06
    or (segid "   A" and resid   23 and name HD11) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid  101 and name  HD2)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HG23) 2.477 0.767 0.767 weight 1.000 ! spec=Expt_16, no=216, id=248, vol=3.362017e+06
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HD11) 3.613 1.632 1.632 weight 1.000 ! spec=Expt_16, no=219, id=249, vol=1.759340e+06
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   23 and name HD11) 3.188 1.270 1.270 weight 1.000 ! spec=Expt_16, no=220, id=250, vol=1.407612e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   23 and name HD11) (segid "   B" and resid  101 and name  HB1) 3.382 1.429 1.429 weight 1.000 ! spec=Expt_16, no=222, id=251, vol=9.142898e+05
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid  101 and name  HB1)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid  101 and name  HB1)
assign (segid "   A" and resid   23 and name HD11) (segid "   B" and resid  101 and name  HB2) 2.864 1.025 1.025 weight 1.000 ! spec=Expt_16, no=223, id=252, vol=9.955748e+05
    or (segid "   A" and resid   23 and name HD13) (segid "   B" and resid  101 and name  HB2)
    or (segid "   A" and resid   23 and name HD12) (segid "   B" and resid  101 and name  HB2)
assign (segid "   A" and resid   23 and name HD11) (segid "   A" and resid   16 and name  HB1) 4.845 2.934 2.934 weight 1.000 ! spec=Expt_16, no=224, id=253, vol=4.486467e+05
    or (segid "   A" and resid   23 and name HD13) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   23 and name HD12) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   23 and name HD11) (segid "   A" and resid   16 and name  HB2) 4.595 2.639 2.639 weight 1.000 ! spec=Expt_16, no=225, id=254, vol=4.200167e+05
    or (segid "   A" and resid   23 and name HD13) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   23 and name HD12) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   23 and name HD11) 2.394 0.717 0.717 weight 1.000 ! spec=Expt_16, no=226, id=255, vol=2.074660e+06
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   23 and name HD11) 2.179 0.594 0.594 weight 1.000 ! spec=Expt_16, no=228, id=256, vol=3.076241e+06
    or (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   23 and name HD11) (segid "   A" and resid   23 and name HG11) 1.926 0.464 0.464 weight 1.000 ! spec=Expt_16, no=229, id=257, vol=5.360432e+06
    or (segid "   A" and resid   23 and name HD13) (segid "   A" and resid   23 and name HG11)
    or (segid "   A" and resid   23 and name HD12) (segid "   A" and resid   23 and name HG11)
assign (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   23 and name HD11) 1.523 0.290 0.290 weight 1.000 ! spec=Expt_16, no=230, id=258, vol=9.151197e+06
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   23 and name HD12)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   23 and name HD11)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   23 and name   HB) 1.970 0.485 0.485 weight 1.000 ! spec=Expt_16, no=238, id=259, vol=4.553886e+06
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   23 and name   HB)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   23 and name   HB)
assign (segid "   A" and resid   23 and name HG23) (segid "   A" and resid   23 and name HG11) 1.827 0.417 0.417 weight 1.000 ! spec=Expt_16, no=239, id=260, vol=6.030758e+06
    or (segid "   A" and resid   23 and name HG21) (segid "   A" and resid   23 and name HG11)
    or (segid "   A" and resid   23 and name HG22) (segid "   A" and resid   23 and name HG11)
assign (segid "   A" and resid   23 and name HG11) (segid "   A" and resid   23 and name HG12) 1.782 0.397 0.397 weight 1.000 ! spec=Expt_16, no=241, id=262, vol=4.466058e+06
assign (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   23 and name HG11) 2.765 0.955 0.955 weight 1.000 ! spec=Expt_16, no=244, id=265, vol=1.467048e+06
assign (segid "   A" and resid   23 and name HG11) (segid "   A" and resid   23 and name   HA) 3.784 1.790 1.790 weight 1.000 ! spec=Expt_16, no=249, id=270, vol=6.519823e+05
assign (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   23 and name   HA) 3.922 1.923 1.923 weight 1.000 ! spec=Expt_16, no=250, id=271, vol=3.857067e+05
assign (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   24 and name   HN) 2.743 0.940 0.940 weight 1.000 ! spec=Expt_16, no=254, id=272, vol=1.311365e+06
assign (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   23 and name HD11) 2.072 0.537 0.537 weight 1.000 ! spec=Expt_16, no=257, id=273, vol=3.994790e+06
    or (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   23 and name HD13)
    or (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   10 and name  HD2) 2.433 0.740 0.740 weight 1.000 ! spec=Expt_16, no=262, id=277, vol=5.339390e+06
    or (segid "   A" and resid    9 and name  HB3) (segid "   A" and resid   10 and name  HD2)
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid    9 and name  HB1) (segid "   B" and resid   95 and name  HB2) 2.797 0.978 0.978 weight 1.000 ! spec=Expt_16, no=263, id=278, vol=1.535572e+06
    or (segid "   A" and resid    9 and name  HB3) (segid "   B" and resid   95 and name  HB2)
    or (segid "   A" and resid    9 and name  HB2) (segid "   B" and resid   95 and name  HB2)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   23 and name HG12) 3.133 1.227 1.227 weight 1.000 ! spec=Expt_16, no=266, id=279, vol=1.053546e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   23 and name HG12)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   23 and name HG12)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   23 and name   HB) 3.274 1.340 1.340 weight 1.000 ! spec=Expt_16, no=267, id=280, vol=6.797040e+05
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   23 and name   HB)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   23 and name   HB)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG21) 2.427 0.737 0.737 weight 1.000 ! spec=Expt_16, no=269, id=282, vol=2.653488e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG22)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid  101 and name   HA) 3.517 1.546 1.546 weight 1.000 ! spec=Expt_16, no=270, id=283, vol=8.673866e+05
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid  101 and name   HA)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid  101 and name   HA)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid  101 and name  HD1) 3.732 1.741 1.741 weight 1.000 ! spec=Expt_16, no=271, id=284, vol=1.211659e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid  101 and name  HD1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid  101 and name  HD2)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   25 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_16, no=273, id=286, vol=1.592880e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   25 and name   HA)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HE2) 2.988 1.116 1.116 weight 1.000 ! spec=Expt_16, no=275, id=288, vol=1.748346e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HE1)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HD2) 3.076 1.183 1.183 weight 1.000 ! spec=Expt_16, no=276, id=289, vol=1.513734e+06
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HD1)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HD2)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HD1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HD2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HD1)
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   24 and name HG13) 2.408 0.725 0.725 weight 1.000 ! spec=Expt_16, no=279, id=291, vol=2.874737e+06
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   24 and name HG12)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   24 and name   HA) 2.360 0.696 0.696 weight 1.000 ! spec=Expt_16, no=280, id=292, vol=3.520982e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name   HN) 3.806 1.811 1.811 weight 1.000 ! spec=Expt_16, no=282, id=294, vol=9.345411e+05
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG22) 1.886 0.445 0.445 weight 1.000 ! spec=Expt_16, no=283, id=295, vol=1.200863e+07
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   21 and name   HB) (segid "   A" and resid   21 and name HG21)
assign (segid "   A" and resid   21 and name HG22) (segid "   B" and resid   74 and name  HA2) 3.078 1.184 1.184 weight 1.000 ! spec=Expt_16, no=288, id=298, vol=2.416317e+06
    or (segid "   A" and resid   21 and name HG23) (segid "   B" and resid   74 and name  HA2)
    or (segid "   A" and resid   21 and name HG21) (segid "   B" and resid   74 and name  HA2)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   22 and name   HN) 4.309 2.321 2.321 weight 1.000 ! spec=Expt_16, no=289, id=299, vol=6.448798e+05
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   22 and name   HN)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name HG22) 2.099 0.551 0.551 weight 1.000 ! spec=Expt_16, no=293, id=303, vol=6.676824e+06
    or (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name HG21)
    or (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name HG23)
assign (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   24 and name   HN) 2.522 0.795 0.795 weight 1.000 ! spec=Expt_16, no=299, id=305, vol=4.041077e+06
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   24 and name   HN)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   24 and name   HN)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   13 and name  HB2) 2.522 0.795 0.795 weight 1.000 ! spec=Expt_16, no=305, id=306, vol=1.894102e+06
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   13 and name  HB2)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   13 and name  HB2)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   14 and name   HN) 3.811 1.816 1.816 weight 1.000 ! spec=Expt_16, no=308, id=308, vol=6.619493e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG13) 2.250 0.633 0.633 weight 1.000 ! spec=Expt_16, no=309, id=309, vol=4.788859e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name   HN) 3.488 1.521 1.521 weight 1.000 ! spec=Expt_16, no=310, id=310, vol=1.648392e+06
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   15 and name HG13) 2.071 0.536 0.536 weight 1.000 ! spec=Expt_16, no=313, id=312, vol=2.969610e+06
    or (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HB1) 2.996 1.122 1.122 weight 1.000 ! spec=Expt_16, no=315, id=313, vol=1.064588e+06
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HB1) 2.964 1.098 1.098 weight 1.000 ! spec=Expt_16, no=316, id=314, vol=1.446076e+06
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD1) 3.123 1.219 1.219 weight 1.000 ! spec=Expt_16, no=317, id=315, vol=7.784077e+05
assign (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HD2) 3.217 1.294 1.294 weight 1.000 ! spec=Expt_16, no=319, id=316, vol=6.829468e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HG2) 4.795 2.873 2.873 weight 1.000 ! spec=Expt_16, no=321, id=318, vol=3.913922e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HG1) 3.814 1.819 1.819 weight 1.000 ! spec=Expt_16, no=322, id=319, vol=5.142500e+05
assign (segid "   A" and resid   13 and name  HG1) (segid "   B" and resid   99 and name  HD2) 5.188 3.364 3.364 weight 1.000 ! spec=Expt_16, no=323, id=320, vol=4.012067e+05
    or (segid "   A" and resid   13 and name  HG1) (segid "   B" and resid   99 and name  HD1)
assign (segid "   A" and resid   13 and name  HG1) (segid "   B" and resid   99 and name  HE2) 4.778 2.853 2.853 weight 1.000 ! spec=Expt_16, no=324, id=321, vol=3.262439e+05
    or (segid "   A" and resid   13 and name  HG1) (segid "   B" and resid   99 and name  HE1)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name   HA) 2.586 0.836 0.836 weight 1.000 ! spec=Expt_16, no=353, id=328, vol=2.517391e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HB1) 2.102 0.552 0.552 weight 1.000 ! spec=Expt_16, no=365, id=334, vol=3.247215e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HD2) 3.916 1.916 1.916 weight 1.000 ! spec=Expt_16, no=369, id=338, vol=4.668450e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HD1) 4.615 2.663 2.663 weight 1.000 ! spec=Expt_16, no=370, id=339, vol=4.610799e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HB1) 3.080 1.186 1.186 weight 1.000 ! spec=Expt_16, no=373, id=342, vol=1.229968e+06
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   27 and name  HB2) 3.950 1.950 1.950 weight 1.000 ! spec=Expt_16, no=376, id=345, vol=2.818375e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   27 and name  HB1) 5.489 3.766 3.766 weight 1.000 ! spec=Expt_16, no=377, id=346, vol=2.595201e+05
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   27 and name   HA) 4.276 2.285 2.285 weight 1.000 ! spec=Expt_16, no=378, id=347, vol=3.170711e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   27 and name   HA) 4.229 2.236 2.236 weight 1.000 ! spec=Expt_16, no=379, id=348, vol=2.957179e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   27 and name  HB2) 3.849 1.851 1.851 weight 1.000 ! spec=Expt_16, no=380, id=349, vol=2.472907e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   27 and name  HB1) 5.641 3.977 3.977 weight 1.000 ! spec=Expt_16, no=381, id=350, vol=1.978229e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HB2) 1.861 0.433 0.433 weight 1.000 ! spec=Expt_16, no=386, id=351, vol=6.702692e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HD2) 4.039 2.039 2.039 weight 1.000 ! spec=Expt_16, no=390, id=355, vol=1.056996e+06
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HD1) 3.906 1.907 1.907 weight 1.000 ! spec=Expt_16, no=391, id=356, vol=9.743767e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   29 and name   HN) 4.292 2.303 2.303 weight 1.000 ! spec=Expt_16, no=396, id=361, vol=6.574146e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   27 and name  HD1) 4.182 2.187 2.187 weight 1.000 ! spec=Expt_16, no=398, id=362, vol=2.737409e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   27 and name  HB2) 4.885 2.983 2.983 weight 1.000 ! spec=Expt_16, no=400, id=363, vol=3.158445e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   27 and name   HA) 4.944 3.055 3.055 weight 1.000 ! spec=Expt_16, no=401, id=364, vol=1.814386e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   27 and name  HB1) 3.556 1.581 1.581 weight 1.000 ! spec=Expt_16, no=402, id=365, vol=2.817687e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   27 and name  HB2) 5.046 3.182 3.182 weight 1.000 ! spec=Expt_16, no=403, id=366, vol=2.516518e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   27 and name  HB1) 4.212 2.218 2.218 weight 1.000 ! spec=Expt_16, no=404, id=367, vol=2.969018e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    9 and name  HB1) 4.327 2.341 2.341 weight 1.000 ! spec=Expt_16, no=406, id=368, vol=5.129891e+05
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    9 and name  HB3)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    9 and name  HB2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   B" and resid   85 and name  HB2) 3.862 1.865 1.865 weight 1.000 ! spec=Expt_16, no=408, id=370, vol=4.606275e+05
assign (segid "   A" and resid   10 and name  HB2) (segid "   B" and resid   97 and name   HB) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_16, no=409, id=371, vol=3.420728e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   29 and name   HA) 3.838 1.841 1.841 weight 1.000 ! spec=Expt_16, no=410, id=372, vol=5.650201e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   14 and name   HB) 4.035 2.035 2.035 weight 1.000 ! spec=Expt_16, no=420, id=377, vol=2.651602e+05
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   14 and name   HB) 4.241 2.248 2.248 weight 1.000 ! spec=Expt_16, no=421, id=378, vol=2.695421e+05
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   23 and name   HB) 4.585 2.628 2.628 weight 1.000 ! spec=Expt_16, no=424, id=380, vol=5.152409e+05
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   26 and name  HG1) 3.782 1.788 1.788 weight 1.000 ! spec=Expt_16, no=425, id=381, vol=3.744943e+05
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HB2) 1.352 0.228 0.228 weight 1.000 ! spec=Expt_16, no=434, id=386, vol=5.009695e+07
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   19 and name  HB2) 2.001 0.500 0.500 weight 1.000 ! spec=Expt_16, no=452, id=395, vol=3.859393e+06
assign (segid "   A" and resid   23 and name HG12) (segid "   A" and resid   23 and name   HB) 2.668 0.890 0.890 weight 1.000 ! spec=Expt_16, no=464, id=400, vol=1.168679e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name  HB2) 1.769 0.391 0.391 weight 1.000 ! spec=Expt_16, no=477, id=410, vol=1.159496e+07
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 3.315 1.373 1.373 weight 1.000 ! spec=Expt_16, no=479, id=412, vol=1.851584e+06
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   24 and name   HN) 4.532 2.567 2.567 weight 1.000 ! spec=Expt_16, no=483, id=415, vol=8.424366e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   24 and name   HN) 3.729 1.738 1.738 weight 1.000 ! spec=Expt_16, no=484, id=416, vol=8.426876e+05
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   16 and name  HB2) 2.483 0.771 0.771 weight 1.000 ! spec=Expt_16, no=491, id=421, vol=1.980332e+06
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   16 and name  HB1) 4.292 2.303 2.303 weight 1.000 ! spec=Expt_16, no=492, id=422, vol=1.757952e+06
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HD1) 3.958 1.958 1.958 weight 1.000 ! spec=Expt_16, no=498, id=425, vol=7.205297e+05
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HD2) 3.744 1.752 1.752 weight 1.000 ! spec=Expt_16, no=499, id=426, vol=6.284699e+05
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HD2) 2.624 0.860 0.860 weight 1.000 ! spec=Expt_16, no=501, id=428, vol=2.756182e+06
assign (segid "   A" and resid   13 and name  HD1) (segid "   A" and resid   13 and name   HA) 3.069 1.178 1.178 weight 1.000 ! spec=Expt_16, no=502, id=429, vol=2.305508e+06
assign (segid "   A" and resid   13 and name  HD2) (segid "   A" and resid   13 and name   HA) 3.157 1.246 1.246 weight 1.000 ! spec=Expt_16, no=503, id=430, vol=1.884671e+06
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HD2) 1.317 0.217 0.217 weight 1.000 ! spec=Expt_16, no=510, id=433, vol=4.193823e+07
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HD2) 3.052 1.164 1.164 weight 1.000 ! spec=Expt_16, no=511, id=434, vol=1.454655e+06
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HD1) 3.957 1.957 1.957 weight 1.000 ! spec=Expt_16, no=512, id=435, vol=1.145441e+06
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   10 and name  HD1) 2.981 1.111 1.111 weight 1.000 ! spec=Expt_16, no=517, id=438, vol=4.037509e+06
    or (segid "   A" and resid    9 and name  HB3) (segid "   A" and resid   10 and name  HD1)
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HD2) 1.441 0.260 0.260 weight 1.000 ! spec=Expt_16, no=522, id=441, vol=2.807196e+07
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   30 and name  HD2) 2.328 0.677 0.677 weight 1.000 ! spec=Expt_16, no=523, id=442, vol=8.016765e+06
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   72 and name   HA) 3.639 1.655 1.655 weight 1.000 ! spec=Expt_30, no=2, id=554, vol=7.288403e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   72 and name   HA)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   72 and name   HA)
assign (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   72 and name HD12) 1.993 0.497 0.497 weight 1.000 ! spec=Expt_30, no=3, id=555, vol=2.273024e+06
    or (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   36 and name  HB2) (segid "   B" and resid   37 and name  HD2) 3.363 1.414 1.414 weight 1.000 ! spec=Expt_30, no=4, id=556, vol=8.940939e+05
    or (segid "   B" and resid   36 and name  HB1) (segid "   B" and resid   37 and name  HD2)
    or (segid "   B" and resid   36 and name  HB3) (segid "   B" and resid   37 and name  HD2)
assign (segid "   B" and resid   36 and name  HB2) (segid "   B" and resid   37 and name  HD1) 4.111 2.112 2.112 weight 1.000 ! spec=Expt_30, no=5, id=557, vol=5.009937e+05
    or (segid "   B" and resid   36 and name  HB1) (segid "   B" and resid   37 and name  HD1)
    or (segid "   B" and resid   36 and name  HB3) (segid "   B" and resid   37 and name  HD1)
assign (segid "   B" and resid   36 and name  HB2) (segid "   B" and resid   36 and name   HA) 2.134 0.569 0.569 weight 1.000 ! spec=Expt_30, no=6, id=558, vol=2.544078e+06
    or (segid "   B" and resid   36 and name  HB1) (segid "   B" and resid   36 and name   HA)
    or (segid "   B" and resid   36 and name  HB3) (segid "   B" and resid   36 and name   HA)
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HB1) 2.180 0.594 0.594 weight 1.000 ! spec=Expt_30, no=8, id=559, vol=4.442433e+06
assign (segid "   B" and resid   37 and name  HB2) (segid "   B" and resid   37 and name  HB1) 1.579 0.312 0.312 weight 1.000 ! spec=Expt_30, no=11, id=562, vol=1.231886e+07
assign (segid "   B" and resid   37 and name  HB2) (segid "   B" and resid   37 and name  HD2) 3.372 1.421 1.421 weight 1.000 ! spec=Expt_30, no=24, id=570, vol=1.021784e+06
assign (segid "   B" and resid   37 and name  HD1) (segid "   B" and resid   36 and name   HA) 2.021 0.510 0.510 weight 1.000 ! spec=Expt_30, no=28, id=573, vol=5.079608e+06
assign (segid "   B" and resid   37 and name  HD2) (segid "   B" and resid   37 and name  HD1) 1.571 0.308 0.308 weight 1.000 ! spec=Expt_30, no=30, id=575, vol=1.197308e+07
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   89 and name   HA) 3.244 1.315 1.315 weight 1.000 ! spec=Expt_30, no=39, id=584, vol=2.119719e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   89 and name   HA)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   89 and name   HA)
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HD12) 2.729 0.931 0.931 weight 1.000 ! spec=Expt_30, no=40, id=585, vol=1.699414e+06
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HD13)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   87 and name  HB2) 3.034 1.151 1.151 weight 1.000 ! spec=Expt_30, no=41, id=586, vol=2.252749e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   87 and name  HB2)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   89 and name  HG2) 2.658 0.883 0.883 weight 1.000 ! spec=Expt_30, no=43, id=587, vol=1.315816e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   89 and name  HG2)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   89 and name  HG2)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   89 and name  HG1) 3.557 1.582 1.582 weight 1.000 ! spec=Expt_30, no=44, id=588, vol=9.292741e+05
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   89 and name  HG1)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   89 and name  HG1)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   42 and name   HB) 2.304 0.664 0.664 weight 1.000 ! spec=Expt_30, no=46, id=590, vol=2.227573e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   42 and name   HB)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   42 and name   HB)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   42 and name HG11) 1.866 0.435 0.435 weight 1.000 ! spec=Expt_30, no=47, id=591, vol=3.819528e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   42 and name HG11)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   42 and name HG11)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   87 and name   HA) 4.366 2.382 2.382 weight 1.000 ! spec=Expt_30, no=51, id=593, vol=7.447951e+05
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   89 and name HE21) 3.393 1.439 1.439 weight 1.000 ! spec=Expt_30, no=52, id=594, vol=9.870851e+05
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   89 and name HE21)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   89 and name HE21)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   42 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=Expt_30, no=55, id=595, vol=7.461560e+05
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   42 and name   HN)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   42 and name   HN)
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   88 and name   HN) 4.254 2.262 2.262 weight 1.000 ! spec=Expt_30, no=62, id=602, vol=3.263203e+05
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   65 and name   HN) 4.150 2.153 2.153 weight 1.000 ! spec=Expt_30, no=64, id=604, vol=3.582638e+05
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   65 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   65 and name   HN)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name  HE1) 3.088 1.192 1.192 weight 1.000 ! spec=Expt_30, no=66, id=606, vol=9.768019e+05
    or (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name  HD1) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_30, no=67, id=607, vol=4.080686e+05
    or (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name   HA) 3.346 1.399 1.399 weight 1.000 ! spec=Expt_30, no=68, id=608, vol=2.608508e+05
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name   HA)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   87 and name   HA) 2.923 1.068 1.068 weight 1.000 ! spec=Expt_30, no=71, id=609, vol=9.859830e+05
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   43 and name   HA) 3.607 1.626 1.626 weight 1.000 ! spec=Expt_30, no=73, id=610, vol=5.570443e+05
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   43 and name   HA)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   43 and name   HA)
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   89 and name   HA) 4.217 2.222 2.222 weight 1.000 ! spec=Expt_30, no=74, id=611, vol=9.443204e+05
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   87 and name   HA) 4.441 2.466 2.466 weight 1.000 ! spec=Expt_30, no=76, id=613, vol=3.220231e+05
assign (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   87 and name  HB2) 3.944 1.945 1.945 weight 1.000 ! spec=Expt_30, no=80, id=617, vol=4.390666e+05
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   87 and name  HB1) 3.872 1.874 1.874 weight 1.000 ! spec=Expt_30, no=82, id=618, vol=4.023140e+05
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   65 and name  HA2) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_30, no=83, id=619, vol=1.861285e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   65 and name  HA2)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   65 and name  HA2)
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   89 and name  HG2) 4.769 2.843 2.843 weight 1.000 ! spec=Expt_30, no=85, id=620, vol=2.418222e+05
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   42 and name   HB) 2.029 0.514 0.514 weight 1.000 ! spec=Expt_30, no=87, id=621, vol=2.707892e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   42 and name   HB)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   42 and name   HB)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   42 and name HG11) 2.446 0.748 0.748 weight 1.000 ! spec=Expt_30, no=89, id=623, vol=1.548262e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   42 and name HG11)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   42 and name HG11)
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   42 and name HG11) 1.532 0.293 0.293 weight 1.000 ! spec=Expt_30, no=90, id=624, vol=5.700537e+06
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   42 and name   HB) 2.368 0.701 0.701 weight 1.000 ! spec=Expt_30, no=92, id=626, vol=1.368894e+06
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   42 and name HG12) 2.266 0.642 0.642 weight 1.000 ! spec=Expt_30, no=93, id=627, vol=1.587734e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   42 and name HG12)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   42 and name HG12)
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   45 and name   HN) 4.156 2.159 2.159 weight 1.000 ! spec=Expt_30, no=122, id=642, vol=6.478420e+05
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   44 and name  HB1) 1.732 0.375 0.375 weight 1.000 ! spec=Expt_30, no=126, id=646, vol=4.944954e+06
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   44 and name  HG2) 2.484 0.771 0.771 weight 1.000 ! spec=Expt_30, no=128, id=648, vol=1.361931e+06
assign (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HB1) 3.330 1.386 1.386 weight 1.000 ! spec=Expt_30, no=132, id=652, vol=7.321918e+05
assign (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   52 and name   HA) 2.727 0.929 0.929 weight 1.000 ! spec=Expt_30, no=145, id=663, vol=6.858741e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   88 and name   HN) 3.548 1.574 1.574 weight 1.000 ! spec=Expt_30, no=152, id=666, vol=5.855489e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   45 and name  HB1) 3.109 1.209 1.209 weight 1.000 ! spec=Expt_30, no=156, id=668, vol=9.277302e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   45 and name  HB2) 2.602 0.847 0.847 weight 1.000 ! spec=Expt_30, no=157, id=669, vol=1.170742e+06
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   45 and name  HD1) 3.479 1.513 1.513 weight 1.000 ! spec=Expt_30, no=164, id=676, vol=6.144575e+05
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   45 and name  HB1) 2.251 0.633 0.633 weight 1.000 ! spec=Expt_30, no=169, id=680, vol=9.885880e+05
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   86 and name HG12) 3.336 1.391 1.391 weight 1.000 ! spec=Expt_30, no=174, id=684, vol=1.160506e+06
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   86 and name   HB) 2.396 0.718 0.718 weight 1.000 ! spec=Expt_30, no=175, id=685, vol=1.325821e+06
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name   HA) 3.302 1.363 1.363 weight 1.000 ! spec=Expt_30, no=177, id=686, vol=3.562734e+05
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   46 and name   HA) 2.289 0.655 0.655 weight 1.000 ! spec=Expt_30, no=179, id=688, vol=2.462758e+06
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   46 and name   HA)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   60 and name   HA) 3.123 1.219 1.219 weight 1.000 ! spec=Expt_30, no=180, id=689, vol=1.194623e+06
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   60 and name   HA)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   60 and name   HA)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   48 and name   HE) 2.620 0.858 0.858 weight 1.000 ! spec=Expt_30, no=181, id=690, vol=4.534953e+05
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   48 and name   HE)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   48 and name   HE)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   95 and name   HN) 3.112 1.210 1.210 weight 1.000 ! spec=Expt_30, no=182, id=691, vol=7.553993e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   95 and name   HN)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   95 and name   HN)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   47 and name   HN) 2.548 0.811 0.811 weight 1.000 ! spec=Expt_30, no=183, id=692, vol=1.731459e+06
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   87 and name   HN) 2.651 0.879 0.879 weight 1.000 ! spec=Expt_30, no=184, id=693, vol=1.566793e+06
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   87 and name   HN)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   87 and name   HN)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   48 and name   HN) 2.920 1.066 1.066 weight 1.000 ! spec=Expt_30, no=185, id=694, vol=1.626688e+06
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   48 and name   HN)
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   47 and name   HA) 2.783 0.968 0.968 weight 1.000 ! spec=Expt_30, no=187, id=696, vol=7.351070e+05
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   49 and name  HZ3) 2.958 1.094 1.094 weight 1.000 ! spec=Expt_30, no=192, id=701, vol=4.437860e+05
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   47 and name  HB2) 1.873 0.438 0.438 weight 1.000 ! spec=Expt_30, no=194, id=703, vol=2.754385e+06
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   47 and name   HG) 2.573 0.827 0.827 weight 1.000 ! spec=Expt_30, no=196, id=705, vol=1.131946e+06
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   47 and name   HG) 2.243 0.629 0.629 weight 1.000 ! spec=Expt_30, no=202, id=711, vol=2.395360e+06
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   70 and name  HB2) 2.630 0.864 0.864 weight 1.000 ! spec=Expt_30, no=204, id=712, vol=8.780930e+05
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   70 and name  HB1) 3.468 1.504 1.504 weight 1.000 ! spec=Expt_30, no=205, id=713, vol=6.427653e+05
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   47 and name   HA) 3.377 1.425 1.425 weight 1.000 ! spec=Expt_30, no=207, id=714, vol=5.918148e+05
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   70 and name  HD2) 2.818 0.993 0.993 weight 1.000 ! spec=Expt_30, no=209, id=715, vol=1.832524e+06
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   49 and name  HH2) 4.058 2.059 2.059 weight 1.000 ! spec=Expt_30, no=210, id=716, vol=4.504829e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name  HB2) 2.500 0.781 0.781 weight 1.000 ! spec=Expt_30, no=225, id=729, vol=1.307101e+06
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name   HN) 2.933 1.075 1.075 weight 1.000 ! spec=Expt_30, no=227, id=731, vol=7.460057e+05
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   49 and name  HB2) 2.325 0.676 0.676 weight 1.000 ! spec=Expt_30, no=242, id=743, vol=1.141127e+06
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   83 and name  HA2) 4.277 2.287 2.287 weight 1.000 ! spec=Expt_30, no=244, id=745, vol=3.984330e+05
assign (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   83 and name  HA2) 3.891 1.893 1.893 weight 1.000 ! spec=Expt_30, no=245, id=746, vol=2.486759e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   49 and name  HB1) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_30, no=247, id=747, vol=1.171172e+06
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   49 and name  HB2) 2.821 0.995 0.995 weight 1.000 ! spec=Expt_30, no=248, id=748, vol=1.011394e+06
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   49 and name  HD1) 2.980 1.110 1.110 weight 1.000 ! spec=Expt_30, no=249, id=749, vol=6.328713e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   58 and name  HZ3) 2.864 1.025 1.025 weight 1.000 ! spec=Expt_30, no=250, id=750, vol=7.896902e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   58 and name  HE3) 3.336 1.391 1.391 weight 1.000 ! spec=Expt_30, no=251, id=751, vol=4.694988e+05
assign (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   49 and name  HD1) 4.021 2.022 2.022 weight 1.000 ! spec=Expt_30, no=253, id=753, vol=6.054554e+05
assign (segid "   B" and resid   50 and name  HB1) (segid "   B" and resid   50 and name   HA) 3.023 1.142 1.142 weight 1.000 ! spec=Expt_30, no=254, id=754, vol=4.403028e+05
assign (segid "   B" and resid   50 and name  HB2) (segid "   B" and resid   50 and name   HA) 3.376 1.425 1.425 weight 1.000 ! spec=Expt_30, no=255, id=755, vol=3.522678e+05
assign (segid "   B" and resid   50 and name  HB1) (segid "   B" and resid   50 and name  HD1) 3.921 1.922 1.922 weight 1.000 ! spec=Expt_30, no=256, id=756, vol=3.444438e+05
assign (segid "   B" and resid   50 and name  HB2) (segid "   B" and resid   50 and name  HD1) 3.686 1.698 1.698 weight 1.000 ! spec=Expt_30, no=257, id=757, vol=2.311978e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   82 and name  HB1) 3.825 1.829 1.829 weight 1.000 ! spec=Expt_30, no=272, id=765, vol=7.541145e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HB1) 3.279 1.344 1.344 weight 1.000 ! spec=Expt_30, no=280, id=772, vol=5.178719e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HB2) 3.107 1.207 1.207 weight 1.000 ! spec=Expt_30, no=281, id=773, vol=5.253061e+05
assign (segid "   B" and resid   52 and name  HB1) (segid "   B" and resid   52 and name  HB2) 1.768 0.391 0.391 weight 1.000 ! spec=Expt_30, no=284, id=776, vol=3.336172e+06
assign (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   82 and name  HG1) 3.317 1.375 1.375 weight 1.000 ! spec=Expt_30, no=291, id=782, vol=3.250959e+05
assign (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   82 and name  HG1) 3.470 1.505 1.505 weight 1.000 ! spec=Expt_30, no=292, id=783, vol=4.122075e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HG2) 2.967 1.100 1.100 weight 1.000 ! spec=Expt_30, no=294, id=785, vol=5.832988e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HG1) 3.917 1.918 1.918 weight 1.000 ! spec=Expt_30, no=295, id=786, vol=6.872367e+05
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   75 and name   HG) 2.896 1.048 1.048 weight 1.000 ! spec=Expt_30, no=308, id=797, vol=5.011043e+05
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD12) 2.619 0.857 0.857 weight 1.000 ! spec=Expt_30, no=310, id=799, vol=1.291216e+06
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG22) 2.901 1.052 1.052 weight 1.000 ! spec=Expt_30, no=332, id=806, vol=1.167797e+06
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG23)
assign (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   79 and name HG12) 1.597 0.319 0.319 weight 1.000 ! spec=Expt_30, no=336, id=807, vol=6.328427e+06
    or (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   63 and name HD13) 2.202 0.606 0.606 weight 1.000 ! spec=Expt_30, no=340, id=808, vol=1.522952e+06
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   54 and name  HB1) (segid "   B" and resid   54 and name   HA) 2.718 0.923 0.923 weight 1.000 ! spec=Expt_30, no=348, id=813, vol=1.253782e+06
assign (segid "   B" and resid   55 and name HG11) (segid "   B" and resid   55 and name   HA) 3.060 1.170 1.170 weight 1.000 ! spec=Expt_30, no=355, id=818, vol=1.182797e+06
    or (segid "   B" and resid   55 and name HG12) (segid "   B" and resid   55 and name   HA)
    or (segid "   B" and resid   55 and name HG13) (segid "   B" and resid   55 and name   HA)
assign (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG11) 1.854 0.430 0.430 weight 1.000 ! spec=Expt_30, no=356, id=819, vol=5.779859e+06
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG13)
assign (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG23) 1.849 0.428 0.428 weight 1.000 ! spec=Expt_30, no=357, id=820, vol=6.192007e+06
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   55 and name HG11) 3.511 1.541 1.541 weight 1.000 ! spec=Expt_30, no=360, id=823, vol=5.375105e+05
    or (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   55 and name HG13)
assign (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   55 and name HG11) 4.039 2.039 2.039 weight 1.000 ! spec=Expt_30, no=361, id=824, vol=3.005474e+05
    or (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   55 and name HG13)
assign (segid "   B" and resid   57 and name  HB2) (segid "   B" and resid   57 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=Expt_30, no=370, id=831, vol=1.265121e+06
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name   HA) 3.115 1.213 1.213 weight 1.000 ! spec=Expt_30, no=371, id=832, vol=1.001555e+06
assign (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   94 and name   HA) 3.362 1.413 1.413 weight 1.000 ! spec=Expt_30, no=376, id=835, vol=7.853559e+05
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   58 and name  HD1) 3.244 1.316 1.316 weight 1.000 ! spec=Expt_30, no=390, id=846, vol=5.307056e+05
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   58 and name  HE3) 3.041 1.156 1.156 weight 1.000 ! spec=Expt_30, no=391, id=847, vol=5.295892e+05
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   58 and name  HB2) 2.263 0.640 0.640 weight 1.000 ! spec=Expt_30, no=394, id=850, vol=1.520910e+06
assign (segid "   B" and resid   59 and name   HA) (segid "   B" and resid   59 and name   HN) 2.379 0.708 0.708 weight 1.000 ! spec=Expt_30, no=402, id=857, vol=3.368160e+06
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name   HN) 3.641 1.657 1.657 weight 1.000 ! spec=Expt_30, no=408, id=863, vol=3.530493e+05
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   60 and name   HN) 4.258 2.266 2.266 weight 1.000 ! spec=Expt_30, no=410, id=865, vol=4.448994e+05
assign (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   60 and name   HN) 4.673 2.730 2.730 weight 1.000 ! spec=Expt_30, no=411, id=866, vol=4.531662e+05
assign (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   60 and name   HN) 5.048 3.185 3.185 weight 1.000 ! spec=Expt_30, no=412, id=867, vol=3.263990e+05
assign (segid "   B" and resid   59 and name  HD1) (segid "   B" and resid   60 and name   HN) 4.752 2.822 2.822 weight 1.000 ! spec=Expt_30, no=413, id=868, vol=3.435365e+05
assign (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   49 and name  HZ2) 3.382 1.430 1.430 weight 1.000 ! spec=Expt_30, no=414, id=869, vol=4.625389e+05
assign (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name   HA) 5.036 3.171 3.171 weight 1.000 ! spec=Expt_30, no=423, id=875, vol=3.488096e+05
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HB2) 1.844 0.425 0.425 weight 1.000 ! spec=Expt_30, no=431, id=882, vol=3.291136e+06
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   48 and name  HG1) 2.581 0.833 0.833 weight 1.000 ! spec=Expt_30, no=438, id=888, vol=1.106421e+06
assign (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   61 and name   HN) 4.332 2.346 2.346 weight 1.000 ! spec=Expt_30, no=446, id=895, vol=3.816247e+05
assign (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   61 and name   HN) 5.105 3.258 3.258 weight 1.000 ! spec=Expt_30, no=447, id=896, vol=3.515239e+05
assign (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   60 and name   HN) 4.308 2.320 2.320 weight 1.000 ! spec=Expt_30, no=450, id=899, vol=4.229350e+05
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HG1) 3.090 1.193 1.193 weight 1.000 ! spec=Expt_30, no=454, id=903, vol=4.994901e+05
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HG2) 3.663 1.677 1.677 weight 1.000 ! spec=Expt_30, no=455, id=904, vol=4.500835e+05
assign (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   46 and name HG21) 3.409 1.453 1.453 weight 1.000 ! spec=Expt_30, no=460, id=909, vol=8.318315e+05
    or (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   47 and name   HG) 3.072 1.180 1.180 weight 1.000 ! spec=Expt_30, no=464, id=911, vol=1.178146e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   47 and name   HG)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   47 and name  HB2) 2.380 0.708 0.708 weight 1.000 ! spec=Expt_30, no=465, id=912, vol=1.133415e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   47 and name  HB2)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   47 and name  HB2)
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   61 and name  HB2) 3.537 1.564 1.564 weight 1.000 ! spec=Expt_30, no=469, id=914, vol=5.501748e+05
    or (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   61 and name  HB1)
    or (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   61 and name  HB3)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   49 and name  HZ2) 4.200 2.205 2.205 weight 1.000 ! spec=Expt_30, no=471, id=916, vol=4.722170e+05
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   49 and name  HZ2)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   49 and name  HZ2)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   49 and name  HH2) 2.559 0.819 0.819 weight 1.000 ! spec=Expt_30, no=472, id=917, vol=1.545111e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   62 and name   HB) (segid "   B" and resid   62 and name HG23) 2.024 0.512 0.512 weight 1.000 ! spec=Expt_30, no=477, id=921, vol=4.317092e+06
    or (segid "   B" and resid   62 and name   HB) (segid "   B" and resid   62 and name HG22)
    or (segid "   B" and resid   62 and name   HB) (segid "   B" and resid   62 and name HG21)
assign (segid "   B" and resid   62 and name   HB) (segid "   B" and resid   62 and name   HA) 3.057 1.168 1.168 weight 1.000 ! spec=Expt_30, no=480, id=922, vol=8.693685e+05
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   45 and name   HN) 3.536 1.563 1.563 weight 1.000 ! spec=Expt_30, no=484, id=925, vol=4.665779e+05
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   45 and name   HN)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   45 and name   HN)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   62 and name   HN) 3.641 1.657 1.657 weight 1.000 ! spec=Expt_30, no=486, id=926, vol=8.717007e+05
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   62 and name   HN)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   62 and name   HN)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HB1) 3.163 1.251 1.251 weight 1.000 ! spec=Expt_30, no=491, id=930, vol=1.294799e+06
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HB1)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HB1)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HB2) 2.268 0.643 0.643 weight 1.000 ! spec=Expt_30, no=492, id=931, vol=1.253684e+06
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HB2)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HB2)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   46 and name HD12) 2.453 0.752 0.752 weight 1.000 ! spec=Expt_30, no=494, id=933, vol=2.063659e+06
    or (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   46 and name HD12)
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   46 and name HD12)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   63 and name HD13) 2.378 0.707 0.707 weight 1.000 ! spec=Expt_30, no=496, id=935, vol=9.495040e+05
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   67 and name HD11) 2.305 0.664 0.664 weight 1.000 ! spec=Expt_30, no=499, id=937, vol=1.456994e+06
    or (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   67 and name HD13)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   67 and name HD13)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   67 and name HD13)
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HG21) 1.903 0.453 0.453 weight 1.000 ! spec=Expt_30, no=502, id=939, vol=2.702050e+06
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name   HB) 2.757 0.950 0.950 weight 1.000 ! spec=Expt_30, no=503, id=940, vol=9.685937e+05
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HD13) 2.143 0.574 0.574 weight 1.000 ! spec=Expt_30, no=505, id=941, vol=2.119253e+06
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   63 and name   HB) 2.344 0.687 0.687 weight 1.000 ! spec=Expt_30, no=506, id=942, vol=8.004545e+05
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   63 and name   HB) 4.346 2.361 2.361 weight 1.000 ! spec=Expt_30, no=507, id=943, vol=6.757375e+05
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   45 and name  HB1) 3.464 1.500 1.500 weight 1.000 ! spec=Expt_30, no=508, id=944, vol=7.134411e+05
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   45 and name  HB1)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   45 and name  HB1)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   70 and name  HB2) 3.260 1.328 1.328 weight 1.000 ! spec=Expt_30, no=509, id=945, vol=1.747959e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   70 and name  HB2)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   70 and name  HB1) 3.570 1.593 1.593 weight 1.000 ! spec=Expt_30, no=510, id=946, vol=4.075799e+05
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   70 and name  HB1)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   70 and name  HB1)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   70 and name  HB1) 3.154 1.244 1.244 weight 1.000 ! spec=Expt_30, no=511, id=947, vol=1.146637e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   70 and name  HB1)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   70 and name  HB1)
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HB2) 4.423 2.445 2.445 weight 1.000 ! spec=Expt_30, no=512, id=948, vol=3.399278e+05
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   63 and name   HA) 2.437 0.742 0.742 weight 1.000 ! spec=Expt_30, no=519, id=954, vol=1.793135e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   63 and name   HA)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   63 and name   HA)
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   63 and name   HA) 3.732 1.741 1.741 weight 1.000 ! spec=Expt_30, no=520, id=955, vol=5.601545e+05
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   63 and name   HA) 3.021 1.141 1.141 weight 1.000 ! spec=Expt_30, no=522, id=957, vol=1.442157e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   63 and name   HA)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   63 and name   HA)
assign (segid "   B" and resid   63 and name HG11) (segid "   A" and resid   27 and name  HH2) 4.415 2.437 2.437 weight 1.000 ! spec=Expt_30, no=526, id=960, vol=5.965148e+05
assign (segid "   B" and resid   63 and name HG12) (segid "   A" and resid   27 and name  HH2) 2.800 0.980 0.980 weight 1.000 ! spec=Expt_30, no=527, id=961, vol=5.219547e+05
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   45 and name  HD1) 4.360 2.376 2.376 weight 1.000 ! spec=Expt_30, no=531, id=963, vol=4.345013e+05
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   45 and name  HD1) 3.584 1.606 1.606 weight 1.000 ! spec=Expt_30, no=532, id=964, vol=8.993474e+05
    or (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HD2) 3.922 1.922 1.922 weight 1.000 ! spec=Expt_30, no=533, id=965, vol=3.949716e+05
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   63 and name   HN) 3.786 1.791 1.791 weight 1.000 ! spec=Expt_30, no=546, id=971, vol=4.101174e+05
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   63 and name   HN)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   63 and name   HN)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name   HN) 3.483 1.516 1.516 weight 1.000 ! spec=Expt_30, no=547, id=972, vol=3.234012e+05
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   63 and name   HN) 2.522 0.795 0.795 weight 1.000 ! spec=Expt_30, no=548, id=973, vol=1.259754e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   63 and name   HN)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   63 and name   HN)
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   67 and name   HG) 4.301 2.313 2.313 weight 1.000 ! spec=Expt_30, no=550, id=975, vol=5.634704e+05
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   64 and name  HB1) 1.623 0.329 0.329 weight 1.000 ! spec=Expt_30, no=552, id=977, vol=5.687352e+06
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   66 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=Expt_30, no=560, id=983, vol=1.094995e+06
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   66 and name  HD2) 2.923 1.068 1.068 weight 1.000 ! spec=Expt_30, no=561, id=984, vol=9.600647e+05
assign (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   99 and name  HE2) 3.334 1.389 1.389 weight 1.000 ! spec=Expt_30, no=562, id=985, vol=7.389487e+05
    or (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   67 and name HD13) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_30, no=570, id=993, vol=5.362826e+05
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   67 and name HD12)
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   65 and name  HA2) 2.281 0.651 0.651 weight 1.000 ! spec=Expt_30, no=574, id=996, vol=1.642058e+06
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   44 and name   HA) 3.418 1.460 1.460 weight 1.000 ! spec=Expt_30, no=577, id=997, vol=7.590944e+05
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HD1) 3.735 1.744 1.744 weight 1.000 ! spec=Expt_30, no=583, id=1000, vol=4.133667e+05
    or (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   66 and name  HB2) (segid "   B" and resid   66 and name  HD2) 3.327 1.384 1.384 weight 1.000 ! spec=Expt_30, no=590, id=1006, vol=6.938723e+05
assign (segid "   B" and resid   66 and name  HB1) (segid "   B" and resid   66 and name  HB2) 2.008 0.504 0.504 weight 1.000 ! spec=Expt_30, no=594, id=1010, vol=3.529756e+06
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name  HB1) 2.037 0.519 0.519 weight 1.000 ! spec=Expt_30, no=600, id=1015, vol=1.515085e+06
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=Expt_30, no=602, id=1017, vol=5.203811e+05
assign (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name   HA) 2.913 1.061 1.061 weight 1.000 ! spec=Expt_30, no=603, id=1018, vol=6.152254e+05
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name   HG) 2.114 0.559 0.559 weight 1.000 ! spec=Expt_30, no=608, id=1023, vol=1.933245e+06
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   67 and name   HG) 1.959 0.480 0.480 weight 1.000 ! spec=Expt_30, no=609, id=1024, vol=1.953911e+06
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name   HA) 3.059 1.170 1.170 weight 1.000 ! spec=Expt_30, no=612, id=1027, vol=7.577954e+05
assign (segid "   B" and resid   68 and name  HB2) (segid "   B" and resid   68 and name  HB1) 2.063 0.532 0.532 weight 1.000 ! spec=Expt_30, no=626, id=1038, vol=2.875684e+06
assign (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   71 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=Expt_30, no=630, id=1042, vol=1.753484e+06
assign (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   70 and name   HA) 4.471 2.499 2.499 weight 1.000 ! spec=Expt_30, no=631, id=1043, vol=5.687990e+05
assign (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   71 and name HG21) 2.061 0.531 0.531 weight 1.000 ! spec=Expt_30, no=632, id=1044, vol=3.721258e+06
    or (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   81 and name   HN) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_30, no=639, id=1047, vol=1.063775e+06
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   81 and name   HN)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   81 and name   HN)
assign (segid "   B" and resid   96 and name HG22) (segid "   B" and resid   96 and name   HB) 1.900 0.451 0.451 weight 1.000 ! spec=Expt_30, no=645, id=1051, vol=4.945192e+06
    or (segid "   B" and resid   96 and name HG21) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG23) (segid "   B" and resid   96 and name   HB)
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name HG12) 3.026 1.145 1.145 weight 1.000 ! spec=Expt_30, no=649, id=1054, vol=8.948881e+05
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name   HB) 3.002 1.126 1.126 weight 1.000 ! spec=Expt_30, no=650, id=1055, vol=6.011287e+05
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   70 and name  HE2) 3.292 1.355 1.355 weight 1.000 ! spec=Expt_30, no=652, id=1056, vol=9.322813e+05
    or (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   72 and name   HN) 4.403 2.424 2.424 weight 1.000 ! spec=Expt_30, no=660, id=1063, vol=2.580124e+05
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HE2) 3.654 1.669 1.669 weight 1.000 ! spec=Expt_30, no=661, id=1064, vol=7.837832e+05
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   70 and name  HE2) 3.328 1.384 1.384 weight 1.000 ! spec=Expt_30, no=662, id=1065, vol=6.143187e+05
    or (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   71 and name   HA) 4.236 2.243 2.243 weight 1.000 ! spec=Expt_30, no=663, id=1066, vol=3.719239e+05
assign (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   72 and name HG12) 2.110 0.557 0.557 weight 1.000 ! spec=Expt_30, no=666, id=1069, vol=8.982892e+05
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HG11) 3.146 1.237 1.237 weight 1.000 ! spec=Expt_30, no=667, id=1070, vol=5.809131e+05
assign (segid "   B" and resid   72 and name HG12) (segid "   A" and resid   23 and name HD11) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_30, no=668, id=1071, vol=1.090007e+06
    or (segid "   B" and resid   72 and name HG12) (segid "   A" and resid   23 and name HD13)
    or (segid "   B" and resid   72 and name HG12) (segid "   A" and resid   23 and name HD12)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   75 and name   HG) 2.296 0.659 0.659 weight 1.000 ! spec=Expt_30, no=671, id=1073, vol=1.171665e+06
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   75 and name   HG)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   75 and name   HG)
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HG22) 2.068 0.535 0.535 weight 1.000 ! spec=Expt_30, no=674, id=1075, vol=1.692075e+06
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HG23)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   73 and name   HA) 3.610 1.629 1.629 weight 1.000 ! spec=Expt_30, no=677, id=1078, vol=2.857485e+05
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   73 and name   HA)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   70 and name  HE2) 3.410 1.454 1.454 weight 1.000 ! spec=Expt_30, no=678, id=1079, vol=9.481971e+05
    or (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   49 and name  HH2) 3.537 1.564 1.564 weight 1.000 ! spec=Expt_30, no=679, id=1080, vol=3.109663e+05
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   49 and name  HZ2) 3.204 1.283 1.283 weight 1.000 ! spec=Expt_30, no=680, id=1081, vol=3.607494e+05
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   49 and name  HZ2)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   49 and name  HZ2)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   72 and name   HN) 3.951 1.951 1.951 weight 1.000 ! spec=Expt_30, no=684, id=1085, vol=5.342260e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   72 and name   HN)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   72 and name   HN)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   49 and name  HH2) 3.500 1.531 1.531 weight 1.000 ! spec=Expt_30, no=685, id=1086, vol=5.738437e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   70 and name  HE2) 3.265 1.333 1.333 weight 1.000 ! spec=Expt_30, no=686, id=1087, vol=1.812721e+06
    or (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   72 and name HD12) 3.689 1.701 1.701 weight 1.000 ! spec=Expt_30, no=687, id=1088, vol=3.336069e+05
    or (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   72 and name HD12) 2.901 1.052 1.052 weight 1.000 ! spec=Expt_30, no=688, id=1089, vol=4.514626e+05
    or (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD12) 1.965 0.482 0.482 weight 1.000 ! spec=Expt_30, no=690, id=1091, vol=2.581514e+06
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   75 and name   HG) 2.993 1.120 1.120 weight 1.000 ! spec=Expt_30, no=694, id=1094, vol=6.766581e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   75 and name   HG)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   75 and name   HG)
assign (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   73 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=Expt_30, no=699, id=1099, vol=6.139473e+05
assign (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name   HA) 3.315 1.374 1.374 weight 1.000 ! spec=Expt_30, no=720, id=1116, vol=5.284954e+05
assign (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   49 and name  HB1) 3.391 1.437 1.437 weight 1.000 ! spec=Expt_30, no=728, id=1121, vol=3.477442e+05
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   49 and name  HB1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   49 and name  HB1)
assign (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   79 and name HG21) 2.285 0.652 0.652 weight 1.000 ! spec=Expt_30, no=737, id=1129, vol=1.090754e+06
    or (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   79 and name HG21) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_30, no=738, id=1130, vol=1.073149e+06
    or (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   76 and name  HG2) 2.491 0.776 0.776 weight 1.000 ! spec=Expt_30, no=739, id=1131, vol=1.747243e+06
assign (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   76 and name  HG2) 2.579 0.832 0.832 weight 1.000 ! spec=Expt_30, no=740, id=1132, vol=1.659567e+06
assign (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   76 and name   HA) 3.230 1.304 1.304 weight 1.000 ! spec=Expt_30, no=744, id=1133, vol=6.871853e+05
assign (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   76 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=Expt_30, no=745, id=1134, vol=6.285472e+05
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name   HA) 3.126 1.221 1.221 weight 1.000 ! spec=Expt_30, no=750, id=1139, vol=5.197232e+05
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name   HA) 3.104 1.204 1.204 weight 1.000 ! spec=Expt_30, no=751, id=1140, vol=4.891323e+05
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HB2) 2.615 0.855 0.855 weight 1.000 ! spec=Expt_30, no=757, id=1144, vol=1.516217e+06
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   79 and name HG21) 4.223 2.229 2.229 weight 1.000 ! spec=Expt_30, no=761, id=1147, vol=4.393532e+05
    or (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   79 and name HG21) 4.340 2.355 2.355 weight 1.000 ! spec=Expt_30, no=762, id=1148, vol=3.904642e+05
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name  HB2) 2.531 0.800 0.800 weight 1.000 ! spec=Expt_30, no=799, id=1170, vol=1.631708e+06
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name  HB2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name  HB2)
assign (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG12) 2.060 0.530 0.530 weight 1.000 ! spec=Expt_30, no=800, id=1171, vol=2.387590e+06
    or (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG21) 1.924 0.463 0.463 weight 1.000 ! spec=Expt_30, no=801, id=1172, vol=3.918135e+06
    or (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   81 and name  HD1) 3.275 1.341 1.341 weight 1.000 ! spec=Expt_30, no=810, id=1175, vol=6.249039e+05
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   66 and name  HD2) 2.375 0.705 0.705 weight 1.000 ! spec=Expt_30, no=811, id=1176, vol=1.924692e+06
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   66 and name  HD2)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   66 and name  HD2)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name   HN) 3.164 1.251 1.251 weight 1.000 ! spec=Expt_30, no=815, id=1180, vol=1.132823e+06
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name   HN)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name   HN)
assign (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   80 and name HG23) 3.525 1.553 1.553 weight 1.000 ! spec=Expt_30, no=817, id=1181, vol=1.163611e+06
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   80 and name HG21)
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   80 and name HG22)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name   HN) 2.643 0.873 0.873 weight 1.000 ! spec=Expt_30, no=821, id=1183, vol=1.797055e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name   HN)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name  HG1) 2.013 0.506 0.506 weight 1.000 ! spec=Expt_30, no=830, id=1192, vol=3.839473e+06
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name  HG1)
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name  HB2) 2.349 0.689 0.689 weight 1.000 ! spec=Expt_30, no=832, id=1194, vol=1.251421e+06
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid  101 and name  HD1) 3.840 1.843 1.843 weight 1.000 ! spec=Expt_30, no=837, id=1199, vol=8.858942e+05
    or (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid   82 and name  HB2) (segid "   B" and resid   82 and name   HN) 4.070 2.071 2.071 weight 1.000 ! spec=Expt_30, no=842, id=1204, vol=5.667273e+05
assign (segid "   B" and resid   82 and name  HB2) (segid "   B" and resid   82 and name   HA) 3.004 1.128 1.128 weight 1.000 ! spec=Expt_30, no=851, id=1211, vol=5.906160e+05
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   82 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=Expt_30, no=853, id=1213, vol=3.105408e+05
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   82 and name   HA) 3.461 1.498 1.498 weight 1.000 ! spec=Expt_30, no=854, id=1214, vol=3.102934e+05
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   52 and name  HG2) 3.435 1.475 1.475 weight 1.000 ! spec=Expt_30, no=856, id=1215, vol=4.103804e+05
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   52 and name  HB2) 4.893 2.992 2.992 weight 1.000 ! spec=Expt_30, no=857, id=1216, vol=3.879978e+05
assign (segid "   B" and resid   83 and name  HA2) (segid "   B" and resid   83 and name  HA1) 2.092 0.547 0.547 weight 1.000 ! spec=Expt_30, no=861, id=1220, vol=1.947653e+06
assign (segid "   B" and resid  100 and name  HB1) (segid "   B" and resid   82 and name   HA) 3.659 1.674 1.674 weight 1.000 ! spec=Expt_30, no=862, id=1221, vol=5.739833e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   83 and name  HA1) 2.702 0.913 0.913 weight 1.000 ! spec=Expt_30, no=864, id=1222, vol=7.305479e+05
assign (segid "   B" and resid   83 and name  HA1) (segid "   B" and resid   58 and name  HZ3) 3.280 1.345 1.345 weight 1.000 ! spec=Expt_30, no=865, id=1223, vol=5.195833e+05
assign (segid "   B" and resid   83 and name  HA2) (segid "   B" and resid   58 and name  HZ3) 4.694 2.754 2.754 weight 1.000 ! spec=Expt_30, no=871, id=1229, vol=3.952658e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   83 and name  HA2) 4.317 2.330 2.330 weight 1.000 ! spec=Expt_30, no=872, id=1230, vol=5.189317e+05
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name  HB2) 1.997 0.499 0.499 weight 1.000 ! spec=Expt_30, no=888, id=1239, vol=2.105136e+06
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name   HG) 2.349 0.690 0.690 weight 1.000 ! spec=Expt_30, no=890, id=1241, vol=2.280317e+06
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name   HG) 2.511 0.788 0.788 weight 1.000 ! spec=Expt_30, no=891, id=1242, vol=1.333042e+06
assign (segid "   A" and resid   27 and name  HB2) (segid "   B" and resid   85 and name   HG) 2.938 1.079 1.079 weight 1.000 ! spec=Expt_30, no=894, id=1245, vol=4.662502e+05
assign (segid "   A" and resid   27 and name  HB1) (segid "   B" and resid   85 and name   HG) 3.664 1.678 1.678 weight 1.000 ! spec=Expt_30, no=895, id=1246, vol=3.689075e+05
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD13) 2.018 0.509 0.509 weight 1.000 ! spec=Expt_30, no=897, id=1248, vol=3.819367e+06
    or (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD11) 3.662 1.676 1.676 weight 1.000 ! spec=Expt_30, no=898, id=1249, vol=4.579019e+05
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD13)
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD21) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_30, no=899, id=1250, vol=1.633398e+06
    or (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name HD21) 2.611 0.852 0.852 weight 1.000 ! spec=Expt_30, no=900, id=1251, vol=1.623235e+06
    or (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD13) 2.419 0.731 0.731 weight 1.000 ! spec=Expt_30, no=903, id=1254, vol=1.078882e+06
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD21) 2.800 0.980 0.980 weight 1.000 ! spec=Expt_30, no=904, id=1255, vol=3.642898e+05
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD23)
assign (segid "   A" and resid   13 and name  HG1) (segid "   B" and resid   85 and name   HG) 2.824 0.997 0.997 weight 1.000 ! spec=Expt_30, no=905, id=1256, vol=8.460540e+05
assign (segid "   B" and resid   85 and name  HB1) (segid "   A" and resid   13 and name  HG1) 3.279 1.344 1.344 weight 1.000 ! spec=Expt_30, no=906, id=1257, vol=3.169505e+05
assign (segid "   B" and resid   85 and name  HB2) (segid "   A" and resid   13 and name  HG1) 3.684 1.697 1.697 weight 1.000 ! spec=Expt_30, no=907, id=1258, vol=3.215617e+05
assign (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   13 and name  HG1) 3.348 1.401 1.401 weight 1.000 ! spec=Expt_30, no=908, id=1259, vol=8.046825e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   13 and name  HG1)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   13 and name  HG1)
assign (segid "   B" and resid   85 and name HD21) (segid "   A" and resid   13 and name  HG1) 3.788 1.794 1.794 weight 1.000 ! spec=Expt_30, no=909, id=1260, vol=3.080223e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   A" and resid   13 and name  HG1)
    or (segid "   B" and resid   85 and name HD23) (segid "   A" and resid   13 and name  HG1)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   97 and name   HB) 5.167 3.337 3.337 weight 1.000 ! spec=Expt_30, no=911, id=1261, vol=1.730094e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   97 and name   HB)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   97 and name   HB)
assign (segid "   B" and resid   85 and name   HG) (segid "   B" and resid   97 and name   HB) 4.400 2.420 2.420 weight 1.000 ! spec=Expt_30, no=912, id=1262, vol=2.357409e+05
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   97 and name   HB) 4.510 2.543 2.543 weight 1.000 ! spec=Expt_30, no=913, id=1263, vol=2.313040e+05
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   97 and name   HB) 3.288 1.351 1.351 weight 1.000 ! spec=Expt_30, no=914, id=1264, vol=2.215068e+05
assign (segid "   A" and resid   13 and name  HD1) (segid "   B" and resid   85 and name   HG) 4.002 2.002 2.002 weight 1.000 ! spec=Expt_30, no=915, id=1265, vol=4.437528e+05
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name   HA) 2.937 1.079 1.079 weight 1.000 ! spec=Expt_30, no=916, id=1266, vol=5.257020e+05
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   87 and name   HA) 3.442 1.481 1.481 weight 1.000 ! spec=Expt_30, no=922, id=1269, vol=3.013178e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   85 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=Expt_30, no=923, id=1270, vol=1.675990e+06
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   85 and name   HA)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_30, no=925, id=1272, vol=8.547330e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name   HA)
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   99 and name  HE2) 3.709 1.720 1.720 weight 1.000 ! spec=Expt_30, no=927, id=1274, vol=3.221690e+05
    or (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   99 and name  HE2) 4.344 2.359 2.359 weight 1.000 ! spec=Expt_30, no=928, id=1275, vol=3.664246e+05
    or (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   85 and name   HG) (segid "   A" and resid   27 and name  HE3) 3.177 1.262 1.262 weight 1.000 ! spec=Expt_30, no=930, id=1276, vol=6.741931e+05
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name  HD1) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_30, no=935, id=1278, vol=1.133387e+06
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   45 and name  HD1) 3.803 1.808 1.808 weight 1.000 ! spec=Expt_30, no=939, id=1281, vol=4.397841e+05
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name  HE1) 3.324 1.381 1.381 weight 1.000 ! spec=Expt_30, no=940, id=1282, vol=6.637132e+05
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   46 and name   HN) 2.862 1.024 1.024 weight 1.000 ! spec=Expt_30, no=947, id=1285, vol=7.455757e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   46 and name   HN)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   46 and name   HN)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   46 and name   HN) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_30, no=948, id=1286, vol=3.795399e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   46 and name   HN)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   46 and name   HN)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name   HN) 2.743 0.941 0.941 weight 1.000 ! spec=Expt_30, no=949, id=1287, vol=9.519421e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name   HN) 3.973 1.973 1.973 weight 1.000 ! spec=Expt_30, no=950, id=1288, vol=2.463126e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   47 and name   HN) 3.749 1.757 1.757 weight 1.000 ! spec=Expt_30, no=951, id=1289, vol=2.346603e+05
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name HG12) 2.711 0.919 0.919 weight 1.000 ! spec=Expt_30, no=954, id=1291, vol=7.558909e+05
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   46 and name HG21) 1.700 0.361 0.361 weight 1.000 ! spec=Expt_30, no=956, id=1293, vol=5.413966e+06
    or (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name HG11) 1.734 0.376 0.376 weight 1.000 ! spec=Expt_30, no=960, id=1297, vol=3.442826e+06
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   42 and name HG12) 1.795 0.403 0.403 weight 1.000 ! spec=Expt_30, no=963, id=1299, vol=4.835806e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   42 and name HG12)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   42 and name HG12)
assign (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   42 and name HG11) 2.549 0.812 0.812 weight 1.000 ! spec=Expt_30, no=965, id=1301, vol=1.960773e+06
assign (segid "   B" and resid   42 and name HG11) (segid "   B" and resid   89 and name  HB1) 3.601 1.621 1.621 weight 1.000 ! spec=Expt_30, no=968, id=1302, vol=1.230817e+06
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   48 and name  HD2) 3.371 1.421 1.421 weight 1.000 ! spec=Expt_30, no=969, id=1303, vol=6.169461e+05
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name  HD2) 2.719 0.924 0.924 weight 1.000 ! spec=Expt_30, no=970, id=1304, vol=6.511495e+05
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   48 and name  HD1) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_30, no=971, id=1305, vol=6.156218e+05
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name  HD1) 3.071 1.179 1.179 weight 1.000 ! spec=Expt_30, no=972, id=1306, vol=6.438903e+05
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name   HB) 3.046 1.159 1.159 weight 1.000 ! spec=Expt_30, no=973, id=1307, vol=6.924452e+05
assign (segid "   B" and resid   42 and name HG11) (segid "   B" and resid   87 and name  HB2) 3.298 1.360 1.360 weight 1.000 ! spec=Expt_30, no=974, id=1308, vol=3.877334e+05
assign (segid "   B" and resid   86 and name HG12) (segid "   B" and resid   86 and name   HA) 3.588 1.609 1.609 weight 1.000 ! spec=Expt_30, no=977, id=1311, vol=5.423688e+05
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   87 and name   HA) 3.793 1.799 1.799 weight 1.000 ! spec=Expt_30, no=984, id=1316, vol=2.668048e+05
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name   HA) 3.086 1.191 1.191 weight 1.000 ! spec=Expt_30, no=985, id=1317, vol=4.645587e+05
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   48 and name   HA) 3.440 1.479 1.479 weight 1.000 ! spec=Expt_30, no=986, id=1318, vol=4.384771e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name  HG1) 3.099 1.200 1.200 weight 1.000 ! spec=Expt_30, no=987, id=1319, vol=3.478584e+05
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   48 and name   HE) 3.030 1.147 1.147 weight 1.000 ! spec=Expt_30, no=988, id=1320, vol=3.785351e+05
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name   HE) 3.099 1.200 1.200 weight 1.000 ! spec=Expt_30, no=990, id=1321, vol=3.820679e+05
assign (segid "   B" and resid   42 and name HG11) (segid "   B" and resid   88 and name   HN) 3.590 1.611 1.611 weight 1.000 ! spec=Expt_30, no=991, id=1322, vol=4.543297e+05
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   48 and name   HN) 2.770 0.959 0.959 weight 1.000 ! spec=Expt_30, no=995, id=1326, vol=7.870675e+05
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name   HN) 3.808 1.812 1.812 weight 1.000 ! spec=Expt_30, no=997, id=1328, vol=5.553765e+05
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name   HA) 3.112 1.210 1.210 weight 1.000 ! spec=Expt_30, no=1013, id=1337, vol=4.519286e+05
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HG12) 2.639 0.870 0.870 weight 1.000 ! spec=Expt_30, no=1014, id=1338, vol=9.067948e+05
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD11) 3.035 1.151 1.151 weight 1.000 ! spec=Expt_30, no=1016, id=1340, vol=1.230195e+06
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   94 and name   HA) 4.313 2.326 2.326 weight 1.000 ! spec=Expt_30, no=1027, id=1344, vol=1.926838e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   94 and name   HA)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   94 and name   HA)
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HG22) 1.917 0.459 0.459 weight 1.000 ! spec=Expt_30, no=1029, id=1346, vol=3.455005e+06
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   88 and name HG11) 1.838 0.422 0.422 weight 1.000 ! spec=Expt_30, no=1033, id=1347, vol=4.669787e+06
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   88 and name HG11)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   88 and name HG11)
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name HD11) 1.874 0.439 0.439 weight 1.000 ! spec=Expt_30, no=1034, id=1348, vol=4.199342e+06
    or (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   94 and name  HG1) 3.693 1.704 1.704 weight 1.000 ! spec=Expt_30, no=1036, id=1350, vol=8.170474e+05
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   94 and name  HG1)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   94 and name  HG1)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   94 and name   HA) 3.716 1.726 1.726 weight 1.000 ! spec=Expt_30, no=1040, id=1354, vol=4.315371e+05
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   94 and name   HA)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   94 and name   HA)
assign (segid "   B" and resid  101 and name  HB1) (segid "   B" and resid  101 and name  HD1) 3.531 1.559 1.559 weight 1.000 ! spec=Expt_30, no=1045, id=1357, vol=6.419992e+05
    or (segid "   B" and resid  101 and name  HB1) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid   99 and name  HB1) (segid "   B" and resid  100 and name   HN) 4.536 2.572 2.572 weight 1.000 ! spec=Expt_30, no=1053, id=1365, vol=5.110435e+05
assign (segid "   B" and resid   99 and name  HB2) (segid "   B" and resid   99 and name  HB1) 2.092 0.547 0.547 weight 1.000 ! spec=Expt_30, no=1055, id=1367, vol=1.385916e+06
assign (segid "   B" and resid   66 and name  HB1) (segid "   B" and resid   66 and name  HD2) 3.323 1.380 1.380 weight 1.000 ! spec=Expt_30, no=1056, id=1368, vol=4.358716e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   88 and name HD11) 3.936 1.937 1.937 weight 1.000 ! spec=Expt_30, no=1059, id=1370, vol=4.536106e+05
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   88 and name HD13)
assign (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   72 and name HD12) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_30, no=1061, id=1372, vol=3.427364e+05
    or (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   70 and name  HB2) 3.797 1.802 1.802 weight 1.000 ! spec=Expt_30, no=1062, id=1373, vol=2.272675e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   70 and name  HB2)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   46 and name   HN) 3.507 1.537 1.537 weight 1.000 ! spec=Expt_30, no=1064, id=1375, vol=7.427152e+05
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   46 and name   HN)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   46 and name   HN)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   48 and name   HE) 2.740 0.939 0.939 weight 1.000 ! spec=Expt_30, no=1065, id=1376, vol=5.127752e+05
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   48 and name   HE)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   48 and name   HE)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   47 and name   HA) 3.223 1.298 1.298 weight 1.000 ! spec=Expt_30, no=1068, id=1377, vol=5.699486e+05
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   47 and name   HA)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   86 and name   HA) 3.369 1.419 1.419 weight 1.000 ! spec=Expt_30, no=1069, id=1378, vol=8.329761e+05
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   86 and name   HA)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   86 and name   HA)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   48 and name  HD1) 2.223 0.618 0.618 weight 1.000 ! spec=Expt_30, no=1073, id=1379, vol=1.363913e+06
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   48 and name  HD1)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   48 and name  HD1)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   86 and name   HB) 2.132 0.568 0.568 weight 1.000 ! spec=Expt_30, no=1075, id=1380, vol=2.772673e+06
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   86 and name   HB)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   86 and name   HB)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   46 and name   HB) 2.189 0.599 0.599 weight 1.000 ! spec=Expt_30, no=1076, id=1381, vol=3.456207e+06
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   46 and name   HB)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   46 and name   HB)
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   86 and name HG12) 1.886 0.445 0.445 weight 1.000 ! spec=Expt_30, no=1079, id=1382, vol=4.715903e+06
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   86 and name HG12)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   86 and name HG12)
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name HD11) 1.849 0.427 0.427 weight 1.000 ! spec=Expt_30, no=1080, id=1383, vol=5.060694e+06
    or (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name HD13)
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   44 and name  HG1) 1.697 0.360 0.360 weight 1.000 ! spec=Expt_30, no=1083, id=1384, vol=4.899933e+06
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   44 and name  HG1)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   44 and name  HG1)
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD12) 2.086 0.544 0.544 weight 1.000 ! spec=Expt_30, no=1087, id=1385, vol=3.194734e+06
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   86 and name   HB) 2.844 1.011 1.011 weight 1.000 ! spec=Expt_30, no=1088, id=1386, vol=1.448979e+06
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   86 and name   HB)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   86 and name   HB)
assign (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD12) 2.753 0.947 0.947 weight 1.000 ! spec=Expt_30, no=1095, id=1387, vol=7.625088e+05
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   46 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=Expt_30, no=1096, id=1388, vol=1.239653e+06
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   46 and name   HA)
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   47 and name   HN) 4.383 2.402 2.402 weight 1.000 ! spec=Expt_30, no=1103, id=1391, vol=5.059250e+05
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   47 and name   HA) 3.604 1.624 1.624 weight 1.000 ! spec=Expt_30, no=1105, id=1393, vol=5.037770e+05
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   47 and name   HA)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   62 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=Expt_30, no=1106, id=1394, vol=1.001035e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   62 and name   HA)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   62 and name   HA)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   70 and name   HA) 4.554 2.593 2.593 weight 1.000 ! spec=Expt_30, no=1107, id=1395, vol=3.875977e+05
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   70 and name   HA)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   70 and name   HA)
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   63 and name HD13) 2.853 1.018 1.018 weight 1.000 ! spec=Expt_30, no=1108, id=1396, vol=1.847737e+06
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name HD13) 1.818 0.413 0.413 weight 1.000 ! spec=Expt_30, no=1109, id=1397, vol=5.618084e+06
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   63 and name HD13) 1.897 0.450 0.450 weight 1.000 ! spec=Expt_30, no=1112, id=1398, vol=3.140044e+06
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD13) 2.481 0.769 0.769 weight 1.000 ! spec=Expt_30, no=1113, id=1399, vol=9.291881e+05
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   44 and name  HE1) 3.212 1.289 1.289 weight 1.000 ! spec=Expt_30, no=1115, id=1400, vol=4.928313e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   44 and name  HE1)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   96 and name HG22) 1.439 0.259 0.259 weight 1.000 ! spec=Expt_30, no=1126, id=1402, vol=7.015434e+06
    or (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   96 and name HG21)
    or (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   96 and name HG23)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   96 and name HG22)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   96 and name HG21)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   96 and name HG23)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   96 and name HG22)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   96 and name HG21)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   96 and name HG23)
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG21) 1.856 0.431 0.431 weight 1.000 ! spec=Expt_30, no=1128, id=1403, vol=3.856835e+06
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name  HB1) 2.214 0.613 0.613 weight 1.000 ! spec=Expt_30, no=1129, id=1404, vol=4.044958e+06
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name  HB1)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name  HB1)
assign (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name HG22) 1.909 0.455 0.455 weight 1.000 ! spec=Expt_30, no=1130, id=1405, vol=4.609090e+06
    or (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name HG21)
    or (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name HG23)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name  HG2) 2.862 1.024 1.024 weight 1.000 ! spec=Expt_30, no=1132, id=1407, vol=9.385820e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name  HG2)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name  HG2)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   48 and name  HD2) 3.700 1.711 1.711 weight 1.000 ! spec=Expt_30, no=1133, id=1408, vol=8.230306e+05
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   48 and name  HD2)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   48 and name  HD2)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   88 and name   HA) 3.635 1.651 1.651 weight 1.000 ! spec=Expt_30, no=1135, id=1410, vol=2.994490e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   88 and name   HA)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   88 and name   HA)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   87 and name   HA) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_30, no=1136, id=1411, vol=5.791824e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   48 and name   HA) 4.468 2.495 2.495 weight 1.000 ! spec=Expt_30, no=1140, id=1414, vol=2.459634e+05
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   48 and name   HA)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   48 and name   HA)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name HE22) 4.196 2.200 2.200 weight 1.000 ! spec=Expt_30, no=1141, id=1415, vol=1.980783e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name HE22)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name HE22)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name HE21) 3.426 1.467 1.467 weight 1.000 ! spec=Expt_30, no=1142, id=1416, vol=2.282340e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name HE21)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name HE21)
assign (segid "   B" and resid   55 and name HG11) (segid "   B" and resid   54 and name  HB1) 4.208 2.213 2.213 weight 1.000 ! spec=Expt_30, no=1146, id=1418, vol=2.820652e+05
    or (segid "   B" and resid   55 and name HG12) (segid "   B" and resid   54 and name  HB1)
    or (segid "   B" and resid   55 and name HG13) (segid "   B" and resid   54 and name  HB1)
assign (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   72 and name HD12) 2.243 0.629 0.629 weight 1.000 ! spec=Expt_30, no=1147, id=1419, vol=1.122660e+06
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   64 and name   HA) 3.653 1.668 1.668 weight 1.000 ! spec=Expt_30, no=1153, id=1424, vol=5.028881e+05
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   64 and name   HA)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   64 and name   HA)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   45 and name  HB2) 4.670 2.727 2.727 weight 1.000 ! spec=Expt_30, no=1154, id=1425, vol=5.711893e+05
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   45 and name  HB2)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   45 and name  HB2)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   67 and name   HG) 2.391 0.715 0.715 weight 1.000 ! spec=Expt_30, no=1156, id=1426, vol=2.547227e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   67 and name   HG)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   67 and name   HG)
assign (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG21) 2.318 0.672 0.672 weight 1.000 ! spec=Expt_30, no=1158, id=1427, vol=2.010452e+06
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   71 and name HG21) (segid "   A" and resid   22 and name   HA) 4.218 2.224 2.224 weight 1.000 ! spec=Expt_30, no=1160, id=1428, vol=2.763546e+05
    or (segid "   B" and resid   71 and name HG22) (segid "   A" and resid   22 and name   HA)
    or (segid "   B" and resid   71 and name HG23) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   98 and name   HN) 2.953 1.090 1.090 weight 1.000 ! spec=Expt_30, no=1162, id=1430, vol=1.282165e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   98 and name   HN)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   98 and name   HN)
assign (segid "   B" and resid   96 and name HG22) (segid "   B" and resid   86 and name   HA) 2.733 0.934 0.934 weight 1.000 ! spec=Expt_30, no=1164, id=1431, vol=1.088587e+06
    or (segid "   B" and resid   96 and name HG21) (segid "   B" and resid   86 and name   HA)
    or (segid "   B" and resid   96 and name HG23) (segid "   B" and resid   86 and name   HA)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   86 and name   HA) 3.552 1.577 1.577 weight 1.000 ! spec=Expt_30, no=1165, id=1432, vol=5.297080e+05
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   86 and name   HA)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   86 and name   HA)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   96 and name   HA) 2.247 0.631 0.631 weight 1.000 ! spec=Expt_30, no=1167, id=1433, vol=2.230485e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   96 and name   HA)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   96 and name   HA)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   96 and name   HB) 1.938 0.469 0.469 weight 1.000 ! spec=Expt_30, no=1169, id=1435, vol=4.258790e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   96 and name   HB)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   98 and name  HG2) 2.257 0.637 0.637 weight 1.000 ! spec=Expt_30, no=1171, id=1436, vol=2.121725e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   98 and name  HG2)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   98 and name  HG2)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   86 and name HG12) 2.916 1.063 1.063 weight 1.000 ! spec=Expt_30, no=1173, id=1437, vol=1.103568e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   86 and name HG12)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   86 and name HG12)
assign (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name   HA) 5.017 3.146 3.146 weight 1.000 ! spec=Expt_30, no=1176, id=1438, vol=2.470700e+05
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name   HA)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name   HA)
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD13) 3.440 1.479 1.479 weight 1.000 ! spec=Expt_30, no=1177, id=1439, vol=8.419611e+05
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD21) 3.861 1.863 1.863 weight 1.000 ! spec=Expt_30, no=1178, id=1440, vol=3.177715e+05
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   85 and name   HG) 4.003 2.003 2.003 weight 1.000 ! spec=Expt_30, no=1179, id=1441, vol=4.950196e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   85 and name   HG)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   85 and name   HG)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   85 and name  HB2) 3.585 1.606 1.606 weight 1.000 ! spec=Expt_30, no=1185, id=1444, vol=8.493421e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   85 and name  HB2)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   85 and name  HB2)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   98 and name  HB2) 4.509 2.542 2.542 weight 1.000 ! spec=Expt_30, no=1186, id=1445, vol=2.482589e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   98 and name  HB2)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   98 and name  HB2)
assign (segid "   B" and resid   97 and name HG21) (segid "   A" and resid   12 and name  HB2) 4.646 2.698 2.698 weight 1.000 ! spec=Expt_30, no=1187, id=1446, vol=2.075415e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   A" and resid   12 and name  HB2)
    or (segid "   B" and resid   97 and name HG23) (segid "   A" and resid   12 and name  HB2)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name  HB1) 4.010 2.010 2.010 weight 1.000 ! spec=Expt_30, no=1189, id=1447, vol=5.364678e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name  HB1)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name  HB1)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   97 and name   HB) 2.232 0.623 0.623 weight 1.000 ! spec=Expt_30, no=1194, id=1449, vol=1.822560e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   97 and name   HB)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   97 and name   HB)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   97 and name   HA) 2.265 0.641 0.641 weight 1.000 ! spec=Expt_30, no=1195, id=1450, vol=2.655763e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   97 and name   HA)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   97 and name   HA)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   98 and name   HA) 3.651 1.666 1.666 weight 1.000 ! spec=Expt_30, no=1196, id=1451, vol=2.807344e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   98 and name   HA)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   98 and name   HA)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name  HD2) 4.284 2.295 2.295 weight 1.000 ! spec=Expt_30, no=1197, id=1452, vol=5.556794e+05
    or (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name  HD1)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name  HD2)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name  HD1)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name  HD2)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name  HE2) 3.994 1.994 1.994 weight 1.000 ! spec=Expt_30, no=1198, id=1453, vol=2.737155e+05
    or (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name  HE1)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name  HE2)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name  HE1)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name  HE2)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   98 and name   HN) 2.775 0.963 0.963 weight 1.000 ! spec=Expt_30, no=1200, id=1455, vol=1.420799e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   98 and name   HN)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   98 and name   HN)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   72 and name HG11) 3.303 1.364 1.364 weight 1.000 ! spec=Expt_30, no=1202, id=1457, vol=2.559870e+05
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   72 and name HG11)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   72 and name HG11)
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name HD13) 2.194 0.602 0.602 weight 1.000 ! spec=Expt_30, no=1207, id=1459, vol=3.696032e+06
    or (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name HD12)
assign (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   66 and name  HB2) 4.261 2.269 2.269 weight 1.000 ! spec=Expt_30, no=1209, id=1460, vol=3.808003e+05
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   66 and name  HB2)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   66 and name  HB2)
assign (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HB2) 2.668 0.890 0.890 weight 1.000 ! spec=Expt_30, no=1211, id=1461, vol=7.205799e+05
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name  HG1) 4.844 2.933 2.933 weight 1.000 ! spec=Expt_30, no=1224, id=1470, vol=1.470987e+05
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name  HG1)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name  HG1)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name  HG2) 4.747 2.817 2.817 weight 1.000 ! spec=Expt_30, no=1225, id=1471, vol=1.515954e+05
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name  HG2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name  HG2)
assign (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name   HG) 2.521 0.795 0.795 weight 1.000 ! spec=Expt_30, no=1235, id=1474, vol=2.158043e+06
assign (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   67 and name   HG) 2.880 1.037 1.037 weight 1.000 ! spec=Expt_30, no=1236, id=1475, vol=9.981871e+05
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   66 and name  HD2) 3.525 1.553 1.553 weight 1.000 ! spec=Expt_30, no=1237, id=1476, vol=2.612992e+05
assign (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   52 and name   HN) 4.276 2.286 2.286 weight 1.000 ! spec=Expt_30, no=1240, id=1479, vol=3.973126e+05
assign (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name   HN) 3.259 1.327 1.327 weight 1.000 ! spec=Expt_30, no=1241, id=1480, vol=3.182851e+05
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HG1) 2.759 0.951 0.951 weight 1.000 ! spec=Expt_30, no=1245, id=1483, vol=8.940920e+05
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HG1) 3.081 1.187 1.187 weight 1.000 ! spec=Expt_30, no=1246, id=1484, vol=1.009711e+06
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HG2) 2.739 0.937 0.937 weight 1.000 ! spec=Expt_30, no=1247, id=1485, vol=9.178730e+05
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HG11) 2.871 1.030 1.030 weight 1.000 ! spec=Expt_30, no=1250, id=1488, vol=4.304365e+05
assign (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   72 and name HG11) 3.533 1.560 1.560 weight 1.000 ! spec=Expt_30, no=1251, id=1489, vol=4.036831e+05
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   72 and name HG11)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   72 and name HG11)
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   49 and name  HZ3) 3.089 1.193 1.193 weight 1.000 ! spec=Expt_30, no=1259, id=1490, vol=1.626369e+06
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   63 and name HD13) 2.845 1.012 1.012 weight 1.000 ! spec=Expt_30, no=1264, id=1493, vol=2.040693e+06
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   88 and name HG11) (segid "   B" and resid   88 and name   HB) 2.505 0.784 0.784 weight 1.000 ! spec=Expt_30, no=1270, id=1495, vol=1.233471e+06
assign (segid "   B" and resid   88 and name HG11) (segid "   B" and resid   94 and name  HG1) 4.891 2.990 2.990 weight 1.000 ! spec=Expt_30, no=1272, id=1497, vol=2.836026e+05
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   96 and name   HA) 3.108 1.207 1.207 weight 1.000 ! spec=Expt_30, no=1279, id=1500, vol=3.527813e+05
assign (segid "   B" and resid   42 and name HG11) (segid "   B" and resid   89 and name   HA) 3.334 1.390 1.390 weight 1.000 ! spec=Expt_30, no=1290, id=1503, vol=8.050417e+05
assign (segid "   B" and resid   42 and name HG11) (segid "   B" and resid   87 and name   HA) 4.416 2.437 2.437 weight 1.000 ! spec=Expt_30, no=1292, id=1504, vol=3.915265e+05
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name HG12) 1.815 0.412 0.412 weight 1.000 ! spec=Expt_30, no=1295, id=1505, vol=2.956755e+06
assign (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   64 and name  HB2) 1.921 0.461 0.461 weight 1.000 ! spec=Expt_30, no=1312, id=1510, vol=8.588520e+06
assign (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   98 and name  HB2) 2.651 0.878 0.878 weight 1.000 ! spec=Expt_30, no=1317, id=1511, vol=1.290687e+06
assign (segid "   B" and resid   98 and name  HG1) (segid "   B" and resid   98 and name  HB2) 2.600 0.845 0.845 weight 1.000 ! spec=Expt_30, no=1318, id=1512, vol=1.625175e+06
assign (segid "   B" and resid   98 and name  HG1) (segid "   B" and resid   98 and name   HA) 3.093 1.196 1.196 weight 1.000 ! spec=Expt_30, no=1323, id=1516, vol=6.064671e+05
assign (segid "   B" and resid   90 and name  HB1) (segid "   B" and resid   90 and name  HB2) 1.662 0.345 0.345 weight 1.000 ! spec=Expt_30, no=1329, id=1520, vol=7.461162e+06
assign (segid "   B" and resid   90 and name  HB1) (segid "   B" and resid   91 and name  HB1) 4.584 2.627 2.627 weight 1.000 ! spec=Expt_30, no=1333, id=1522, vol=3.139917e+05
assign (segid "   B" and resid   90 and name  HB1) (segid "   B" and resid   90 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=Expt_30, no=1335, id=1523, vol=9.797883e+05
assign (segid "   B" and resid   90 and name  HB2) (segid "   B" and resid   90 and name HE22) 4.611 2.658 2.658 weight 1.000 ! spec=Expt_30, no=1339, id=1525, vol=4.171505e+05
assign (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   49 and name  HE1) 3.106 1.206 1.206 weight 1.000 ! spec=Expt_30, no=1340, id=1526, vol=5.522030e+05
assign (segid "   B" and resid   59 and name  HD1) (segid "   B" and resid   49 and name  HZ2) 3.477 1.511 1.511 weight 1.000 ! spec=Expt_30, no=1343, id=1527, vol=3.910968e+05
assign (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   59 and name   HA) 4.160 2.163 2.163 weight 1.000 ! spec=Expt_30, no=1347, id=1528, vol=7.977663e+05
assign (segid "   B" and resid   38 and name  HB2) (segid "   B" and resid   38 and name   HA) 3.178 1.262 1.262 weight 1.000 ! spec=Expt_30, no=1355, id=1534, vol=5.168552e+05
assign (segid "   B" and resid   38 and name  HB1) (segid "   B" and resid   39 and name  HD1) 4.166 2.169 2.169 weight 1.000 ! spec=Expt_30, no=1356, id=1535, vol=7.292652e+05
assign (segid "   B" and resid   38 and name  HB2) (segid "   B" and resid   39 and name  HD1) 4.990 3.112 3.112 weight 1.000 ! spec=Expt_30, no=1357, id=1536, vol=2.800190e+05
assign (segid "   B" and resid   38 and name  HB2) (segid "   B" and resid   38 and name  HB1) 1.671 0.349 0.349 weight 1.000 ! spec=Expt_30, no=1361, id=1540, vol=8.314593e+06
assign (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   71 and name HG21) 3.546 1.572 1.572 weight 1.000 ! spec=Expt_30, no=1362, id=1541, vol=1.068220e+06
    or (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   73 and name  HD2) 2.092 0.547 0.547 weight 1.000 ! spec=Expt_30, no=1364, id=1543, vol=2.166333e+06
assign (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   73 and name   HN) 4.435 2.459 2.459 weight 1.000 ! spec=Expt_30, no=1366, id=1544, vol=3.449751e+05
assign (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   89 and name  HB1) 1.922 0.462 0.462 weight 1.000 ! spec=Expt_30, no=1374, id=1549, vol=2.471836e+06
assign (segid "   B" and resid   89 and name  HB1) (segid "   B" and resid   93 and name  HB1) 4.300 2.311 2.311 weight 1.000 ! spec=Expt_30, no=1375, id=1550, vol=2.844346e+05
assign (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   93 and name  HB1) 3.530 1.558 1.558 weight 1.000 ! spec=Expt_30, no=1376, id=1551, vol=1.706211e+05
assign (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   89 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=Expt_30, no=1377, id=1552, vol=8.986655e+05
assign (segid "   B" and resid   89 and name  HB1) (segid "   B" and resid   89 and name   HA) 2.825 0.997 0.997 weight 1.000 ! spec=Expt_30, no=1378, id=1553, vol=7.680248e+05
assign (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   89 and name HE21) 4.196 2.201 2.201 weight 1.000 ! spec=Expt_30, no=1382, id=1557, vol=1.454167e+05
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HB1) 4.277 2.287 2.287 weight 1.000 ! spec=Expt_30, no=1387, id=1559, vol=3.145371e+05
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HB1) 2.754 0.948 0.948 weight 1.000 ! spec=Expt_30, no=1388, id=1560, vol=2.953498e+05
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HD2) 3.899 1.900 1.900 weight 1.000 ! spec=Expt_30, no=1389, id=1561, vol=4.537318e+05
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HE2) 3.652 1.667 1.667 weight 1.000 ! spec=Expt_30, no=1390, id=1562, vol=4.229090e+05
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   93 and name  HB2) (segid "   B" and resid   89 and name HE21) 3.692 1.704 1.704 weight 1.000 ! spec=Expt_30, no=1391, id=1563, vol=1.125498e+06
assign (segid "   B" and resid   93 and name  HB1) (segid "   B" and resid   89 and name HE21) 2.864 1.025 1.025 weight 1.000 ! spec=Expt_30, no=1395, id=1565, vol=1.037308e+06
assign (segid "   B" and resid   93 and name  HB1) (segid "   B" and resid   94 and name   HN) 4.550 2.588 2.588 weight 1.000 ! spec=Expt_30, no=1396, id=1566, vol=3.145740e+05
assign (segid "   B" and resid   93 and name  HB2) (segid "   B" and resid   94 and name   HN) 3.856 1.859 1.859 weight 1.000 ! spec=Expt_30, no=1397, id=1567, vol=3.830232e+05
assign (segid "   B" and resid   39 and name  HD2) (segid "   B" and resid   39 and name  HB1) 3.408 1.452 1.452 weight 1.000 ! spec=Expt_30, no=1400, id=1570, vol=1.286136e+06
assign (segid "   B" and resid   94 and name  HB1) (segid "   B" and resid   94 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=Expt_30, no=1405, id=1574, vol=7.660053e+05
assign (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   94 and name   HN) 3.463 1.499 1.499 weight 1.000 ! spec=Expt_30, no=1406, id=1575, vol=2.614763e+05
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name   HN) 3.302 1.363 1.363 weight 1.000 ! spec=Expt_30, no=1407, id=1576, vol=4.322687e+05
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   58 and name   HN) 4.383 2.401 2.401 weight 1.000 ! spec=Expt_30, no=1409, id=1577, vol=3.980883e+05
assign (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   81 and name   HN) 4.125 2.127 2.127 weight 1.000 ! spec=Expt_30, no=1411, id=1578, vol=2.160311e+05
assign (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   88 and name HD11) 2.371 0.703 0.703 weight 1.000 ! spec=Expt_30, no=1414, id=1581, vol=8.537459e+05
    or (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   39 and name  HB2) (segid "   B" and resid   40 and name   HN) 4.270 2.279 2.279 weight 1.000 ! spec=Expt_30, no=1423, id=1584, vol=2.142783e+05
assign (segid "   B" and resid   39 and name  HB2) (segid "   B" and resid   39 and name   HA) 3.166 1.253 1.253 weight 1.000 ! spec=Expt_30, no=1427, id=1586, vol=8.298307e+05
assign (segid "   B" and resid   39 and name  HB2) (segid "   B" and resid   39 and name  HB1) 1.653 0.341 0.341 weight 1.000 ! spec=Expt_30, no=1432, id=1588, vol=9.200115e+06
assign (segid "   B" and resid   98 and name  HB1) (segid "   B" and resid   98 and name  HG2) 2.536 0.804 0.804 weight 1.000 ! spec=Expt_30, no=1435, id=1590, vol=1.897661e+06
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   98 and name  HB1) 1.832 0.420 0.420 weight 1.000 ! spec=Expt_30, no=1437, id=1591, vol=3.548621e+06
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   97 and name   HA) 5.574 3.884 3.884 weight 1.000 ! spec=Expt_30, no=1447, id=1594, vol=2.831985e+05
assign (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   91 and name  HD1) 4.616 2.664 2.664 weight 1.000 ! spec=Expt_30, no=1450, id=1597, vol=1.818334e+05
    or (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name HE21) 3.689 1.701 1.701 weight 1.000 ! spec=Expt_30, no=1451, id=1598, vol=1.429804e+05
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   99 and name   HN) 3.404 1.448 1.448 weight 1.000 ! spec=Expt_30, no=1452, id=1599, vol=4.017542e+05
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   49 and name  HZ2) 3.978 1.978 1.978 weight 1.000 ! spec=Expt_30, no=1462, id=1606, vol=2.117396e+05
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   49 and name  HZ2) 4.168 2.172 2.172 weight 1.000 ! spec=Expt_30, no=1463, id=1607, vol=2.132651e+05
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   49 and name  HH2) 4.080 2.081 2.081 weight 1.000 ! spec=Expt_30, no=1464, id=1608, vol=1.365257e+05
assign (segid "   B" and resid   82 and name  HB2) (segid "   B" and resid   82 and name  HB1) 1.938 0.469 0.469 weight 1.000 ! spec=Expt_30, no=1467, id=1611, vol=3.135439e+06
assign (segid "   B" and resid   90 and name  HG1) (segid "   B" and resid   90 and name   HN) 3.678 1.691 1.691 weight 1.000 ! spec=Expt_30, no=1474, id=1615, vol=2.263171e+05
assign (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name HE22) 3.823 1.827 1.827 weight 1.000 ! spec=Expt_30, no=1475, id=1616, vol=2.988388e+05
assign (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name   HA) 3.093 1.196 1.196 weight 1.000 ! spec=Expt_30, no=1479, id=1618, vol=8.650347e+05
assign (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name  HG1) 1.511 0.285 0.285 weight 1.000 ! spec=Expt_30, no=1480, id=1619, vol=1.227478e+07
assign (segid "   B" and resid   90 and name  HB2) (segid "   B" and resid   90 and name  HG1) 2.424 0.734 0.734 weight 1.000 ! spec=Expt_30, no=1482, id=1621, vol=2.638585e+06
assign (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   52 and name  HB2) 3.194 1.275 1.275 weight 1.000 ! spec=Expt_30, no=1484, id=1622, vol=4.153490e+05
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   81 and name  HB2) 3.380 1.428 1.428 weight 1.000 ! spec=Expt_30, no=1488, id=1624, vol=3.139730e+05
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   63 and name HG21) 4.669 2.724 2.724 weight 1.000 ! spec=Expt_30, no=1490, id=1626, vol=3.168553e+05
    or (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   63 and name HG21) 3.213 1.291 1.291 weight 1.000 ! spec=Expt_30, no=1492, id=1628, vol=7.763974e+05
    or (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name  HG1) 3.360 1.411 1.411 weight 1.000 ! spec=Expt_30, no=1493, id=1629, vol=1.253895e+06
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name  HG1)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name  HG1)
assign (segid "   B" and resid   88 and name HG11) (segid "   B" and resid   94 and name  HG2) 3.865 1.867 1.867 weight 1.000 ! spec=Expt_30, no=1494, id=1630, vol=3.440678e+05
assign (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   94 and name  HG1) 1.646 0.339 0.339 weight 1.000 ! spec=Expt_30, no=1497, id=1632, vol=6.953288e+06
assign (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   94 and name  HG2) 3.243 1.315 1.315 weight 1.000 ! spec=Expt_30, no=1505, id=1639, vol=1.081493e+06
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name HE22) 3.090 1.193 1.193 weight 1.000 ! spec=Expt_30, no=1520, id=1647, vol=3.594245e+05
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name HE21) 3.408 1.452 1.452 weight 1.000 ! spec=Expt_30, no=1521, id=1648, vol=3.285082e+05
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   89 and name   HA) 2.778 0.965 0.965 weight 1.000 ! spec=Expt_30, no=1522, id=1649, vol=8.492585e+05
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_30, no=1523, id=1650, vol=8.275874e+05
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   93 and name  HB1) 4.769 2.843 2.843 weight 1.000 ! spec=Expt_30, no=1524, id=1651, vol=2.565608e+05
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   89 and name  HG1) 1.810 0.409 0.409 weight 1.000 ! spec=Expt_30, no=1528, id=1654, vol=4.392691e+06
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   63 and name   HN) 5.294 3.503 3.503 weight 1.000 ! spec=Expt_30, no=1533, id=1657, vol=1.354250e+05
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   58 and name  HE3) 3.981 1.981 1.981 weight 1.000 ! spec=Expt_30, no=1537, id=1660, vol=3.579679e+05
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   58 and name  HE3) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_30, no=1538, id=1661, vol=5.052185e+05
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name   HE) 3.096 1.198 1.198 weight 1.000 ! spec=Expt_30, no=1539, id=1662, vol=2.613305e+05
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   48 and name   HE) 4.505 2.537 2.537 weight 1.000 ! spec=Expt_30, no=1540, id=1663, vol=2.655398e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name  HB1) 3.513 1.543 1.543 weight 1.000 ! spec=Expt_30, no=1541, id=1664, vol=4.366241e+05
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   48 and name  HB1) 4.904 3.006 3.006 weight 1.000 ! spec=Expt_30, no=1543, id=1665, vol=1.726477e+05
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   58 and name  HB2) 2.972 1.104 1.104 weight 1.000 ! spec=Expt_30, no=1544, id=1666, vol=4.273119e+05
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name  HD2) 3.652 1.667 1.667 weight 1.000 ! spec=Expt_30, no=1545, id=1667, vol=3.719763e+05
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name  HD1) 3.065 1.174 1.174 weight 1.000 ! spec=Expt_30, no=1547, id=1669, vol=3.787024e+05
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name  HB2) 2.034 0.517 0.517 weight 1.000 ! spec=Expt_30, no=1549, id=1671, vol=1.453435e+06
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   48 and name  HG1) 2.125 0.564 0.564 weight 1.000 ! spec=Expt_30, no=1550, id=1672, vol=2.744204e+06
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   46 and name HG21) 4.285 2.295 2.295 weight 1.000 ! spec=Expt_30, no=1551, id=1673, vol=4.213768e+05
    or (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   48 and name  HB2) 4.441 2.465 2.465 weight 1.000 ! spec=Expt_30, no=1552, id=1674, vol=3.377148e+05
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   44 and name  HE2) 5.153 3.319 3.319 weight 1.000 ! spec=Expt_30, no=1555, id=1676, vol=2.149487e+05
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   52 and name   HA) 4.120 2.122 2.122 weight 1.000 ! spec=Expt_30, no=1565, id=1684, vol=3.918680e+05
assign (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name  HB1) 1.770 0.392 0.392 weight 1.000 ! spec=Expt_30, no=1571, id=1685, vol=5.205816e+06
assign (segid "   B" and resid   91 and name  HB1) (segid "   B" and resid   91 and name   HA) 3.108 1.208 1.208 weight 1.000 ! spec=Expt_30, no=1574, id=1688, vol=1.125419e+06
assign (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name  HE1) 4.882 2.980 2.980 weight 1.000 ! spec=Expt_30, no=1578, id=1690, vol=1.399763e+05
    or (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name  HE2)
assign (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name  HD1) 3.233 1.307 1.307 weight 1.000 ! spec=Expt_30, no=1579, id=1691, vol=1.086862e+06
    or (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   48 and name  HG1) 2.738 0.937 0.937 weight 1.000 ! spec=Expt_30, no=1581, id=1693, vol=4.086098e+05
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   71 and name   HA) 5.045 3.182 3.182 weight 1.000 ! spec=Expt_30, no=1589, id=1696, vol=2.157389e+05
assign (segid "   B" and resid   68 and name  HB1) (segid "   B" and resid   68 and name HD22) 3.250 1.321 1.321 weight 1.000 ! spec=Expt_30, no=1595, id=1701, vol=4.371583e+05
assign (segid "   B" and resid   68 and name  HB1) (segid "   A" and resid   27 and name  HD1) 4.093 2.094 2.094 weight 1.000 ! spec=Expt_30, no=1596, id=1702, vol=2.079229e+05
assign (segid "   B" and resid   35 and name  HB1) (segid "   B" and resid   35 and name   HA) 3.494 1.526 1.526 weight 1.000 ! spec=Expt_30, no=1603, id=1704, vol=3.768536e+05
assign (segid "   B" and resid   35 and name  HB2) (segid "   B" and resid   35 and name   HA) 3.509 1.539 1.539 weight 1.000 ! spec=Expt_30, no=1605, id=1705, vol=4.408688e+05
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name  HD1) 3.988 1.988 1.988 weight 1.000 ! spec=Expt_30, no=1606, id=1706, vol=3.238317e+05
    or (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name  HD1) 4.181 2.185 2.185 weight 1.000 ! spec=Expt_30, no=1607, id=1707, vol=2.418256e+05
    or (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   49 and name  HB2) 4.988 3.110 3.110 weight 1.000 ! spec=Expt_30, no=1614, id=1709, vol=1.542336e+05
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   45 and name   HA) 4.904 3.006 3.006 weight 1.000 ! spec=Expt_30, no=1617, id=1711, vol=2.184257e+05
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   86 and name   HA) 4.569 2.610 2.610 weight 1.000 ! spec=Expt_30, no=1619, id=1712, vol=1.797073e+05
assign (segid "   B" and resid  101 and name  HB2) (segid "   B" and resid  101 and name  HB1) 2.178 0.593 0.593 weight 1.000 ! spec=Expt_30, no=1626, id=1717, vol=1.877155e+06
assign (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   49 and name  HZ2) 3.403 1.448 1.448 weight 1.000 ! spec=Expt_30, no=1631, id=1719, vol=3.389177e+05
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name   HA) 3.033 1.150 1.150 weight 1.000 ! spec=Expt_30, no=1636, id=1721, vol=4.566916e+05
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   45 and name   HA) 5.325 3.544 3.544 weight 1.000 ! spec=Expt_30, no=1638, id=1722, vol=1.907646e+05
assign (segid "   B" and resid   49 and name  HB1) (segid "   B" and resid   83 and name  HA1) 4.043 2.043 2.043 weight 1.000 ! spec=Expt_30, no=1641, id=1723, vol=3.081108e+05
assign (segid "   B" and resid   83 and name  HA1) (segid "   B" and resid   84 and name HE22) 3.548 1.574 1.574 weight 1.000 ! spec=Expt_30, no=1644, id=1725, vol=5.121254e+05
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name  HB2) 2.126 0.565 0.565 weight 1.000 ! spec=Expt_30, no=1660, id=1734, vol=1.258513e+06
assign (segid "   B" and resid   70 and name  HB1) (segid "   A" and resid   27 and name  HH2) 2.749 0.944 0.944 weight 1.000 ! spec=Expt_30, no=1664, id=1738, vol=7.766215e+05
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name  HD2) 3.326 1.383 1.383 weight 1.000 ! spec=Expt_30, no=1669, id=1740, vol=7.067095e+05
    or (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   48 and name   HE) 2.795 0.977 0.977 weight 1.000 ! spec=Expt_30, no=1670, id=1741, vol=8.613997e+05
assign (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   70 and name  HD2) 3.225 1.300 1.300 weight 1.000 ! spec=Expt_30, no=1671, id=1742, vol=8.836001e+05
    or (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   48 and name  HD2) 2.604 0.848 0.848 weight 1.000 ! spec=Expt_30, no=1684, id=1751, vol=9.508069e+05
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   48 and name  HD1) 3.231 1.305 1.305 weight 1.000 ! spec=Expt_30, no=1685, id=1752, vol=9.054824e+05
assign (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   60 and name  HG1) 3.390 1.437 1.437 weight 1.000 ! spec=Expt_30, no=1686, id=1753, vol=4.874092e+05
assign (segid "   B" and resid   48 and name  HD1) (segid "   B" and resid   60 and name  HG1) 4.072 2.072 2.072 weight 1.000 ! spec=Expt_30, no=1687, id=1754, vol=4.326746e+05
assign (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   48 and name  HD1) 1.770 0.392 0.392 weight 1.000 ! spec=Expt_30, no=1688, id=1755, vol=3.664648e+06
assign (segid "   B" and resid   48 and name  HD1) (segid "   B" and resid   48 and name   HA) 5.198 3.377 3.377 weight 1.000 ! spec=Expt_30, no=1691, id=1757, vol=1.835297e+05
assign (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   48 and name   HA) 5.064 3.206 3.206 weight 1.000 ! spec=Expt_30, no=1692, id=1758, vol=1.513764e+05
assign (segid "   B" and resid   48 and name  HD1) (segid "   B" and resid   48 and name   HE) 3.116 1.213 1.213 weight 1.000 ! spec=Expt_30, no=1693, id=1759, vol=4.582382e+05
assign (segid "   B" and resid   48 and name  HD1) (segid "   B" and resid   48 and name   HN) 4.467 2.495 2.495 weight 1.000 ! spec=Expt_30, no=1695, id=1760, vol=2.370002e+05
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   49 and name  HH2) 5.537 3.833 3.833 weight 1.000 ! spec=Expt_30, no=1696, id=1761, vol=2.222030e+05
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   49 and name  HH2) 4.334 2.348 2.348 weight 1.000 ! spec=Expt_30, no=1697, id=1762, vol=3.090187e+05
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   49 and name  HZ3) 4.904 3.006 3.006 weight 1.000 ! spec=Expt_30, no=1698, id=1763, vol=3.071451e+05
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   46 and name   HA) 5.024 3.155 3.155 weight 1.000 ! spec=Expt_30, no=1699, id=1764, vol=2.618528e+05
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   46 and name   HA) 4.457 2.483 2.483 weight 1.000 ! spec=Expt_30, no=1700, id=1765, vol=2.712801e+05
assign (segid "   B" and resid   37 and name  HB1) (segid "   B" and resid   37 and name  HD2) 3.582 1.604 1.604 weight 1.000 ! spec=Expt_30, no=1702, id=1767, vol=5.636659e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   59 and name  HB1) 4.107 2.108 2.108 weight 1.000 ! spec=Expt_30, no=1709, id=1773, vol=3.409294e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   49 and name  HZ3) 3.811 1.815 1.815 weight 1.000 ! spec=Expt_30, no=1710, id=1774, vol=2.393858e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   48 and name  HB1) 4.063 2.064 2.064 weight 1.000 ! spec=Expt_30, no=1713, id=1775, vol=1.985844e+05
assign (segid "   B" and resid   37 and name  HD2) (segid "   B" and resid   36 and name   HA) 2.646 0.875 0.875 weight 1.000 ! spec=Expt_31, no=5, id=1778, vol=1.410006e+06
assign (segid "   B" and resid   93 and name   HA) (segid "   B" and resid   94 and name   HN) 2.481 0.770 0.770 weight 1.000 ! spec=Expt_31, no=10, id=1782, vol=1.208750e+06
assign (segid "   B" and resid   41 and name   HA) (segid "   B" and resid   42 and name   HN) 2.167 0.587 0.587 weight 1.000 ! spec=Expt_31, no=12, id=1784, vol=2.269942e+06
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name   HB) 2.869 1.029 1.029 weight 1.000 ! spec=Expt_31, no=14, id=1785, vol=4.502790e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HG12) 3.526 1.554 1.554 weight 1.000 ! spec=Expt_31, no=15, id=1786, vol=4.769497e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HG21) 2.382 0.709 0.709 weight 1.000 ! spec=Expt_31, no=17, id=1788, vol=1.078786e+06
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   89 and name   HA) 2.382 0.709 0.709 weight 1.000 ! spec=Expt_31, no=18, id=1789, vol=1.135076e+06
assign (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   42 and name HG21) 2.636 0.869 0.869 weight 1.000 ! spec=Expt_31, no=21, id=1791, vol=7.840376e+05
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   42 and name HG12) 2.254 0.635 0.635 weight 1.000 ! spec=Expt_31, no=25, id=1793, vol=5.618821e+05
assign (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   70 and name   HA) 3.084 1.189 1.189 weight 1.000 ! spec=Expt_31, no=27, id=1795, vol=6.146022e+05
assign (segid "   B" and resid   43 and name   HA) (segid "   B" and resid   44 and name   HN) 2.854 1.018 1.018 weight 1.000 ! spec=Expt_31, no=36, id=1804, vol=9.317393e+05
assign (segid "   B" and resid   88 and name   HA) (segid "   B" and resid   88 and name   HN) 2.995 1.121 1.121 weight 1.000 ! spec=Expt_31, no=37, id=1805, vol=3.701691e+05
assign (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   88 and name   HN) 3.100 1.201 1.201 weight 1.000 ! spec=Expt_31, no=40, id=1808, vol=5.491760e+05
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   44 and name  HG2) 3.464 1.500 1.500 weight 1.000 ! spec=Expt_31, no=41, id=1809, vol=4.256188e+05
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   44 and name  HG1) 3.529 1.557 1.557 weight 1.000 ! spec=Expt_31, no=42, id=1810, vol=3.879806e+05
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   44 and name   HA) 2.558 0.818 0.818 weight 1.000 ! spec=Expt_31, no=43, id=1811, vol=8.392664e+05
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   44 and name   HA) 2.498 0.780 0.780 weight 1.000 ! spec=Expt_31, no=44, id=1812, vol=1.063555e+06
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   45 and name   HN) 2.371 0.702 0.702 weight 1.000 ! spec=Expt_31, no=47, id=1815, vol=1.326918e+06
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   46 and name   HN) 2.308 0.666 0.666 weight 1.000 ! spec=Expt_31, no=50, id=1818, vol=1.452708e+06
assign (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   48 and name   HN) 2.198 0.604 0.604 weight 1.000 ! spec=Expt_31, no=56, id=1822, vol=1.720920e+06
assign (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   86 and name   HN) 3.273 1.339 1.339 weight 1.000 ! spec=Expt_31, no=57, id=1823, vol=3.533759e+05
assign (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   85 and name   HA) 2.725 0.928 0.928 weight 1.000 ! spec=Expt_31, no=59, id=1824, vol=5.437796e+05
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   47 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=Expt_31, no=62, id=1826, vol=5.805748e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   47 and name   HA)
assign (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   46 and name HG21) 2.945 1.084 1.084 weight 1.000 ! spec=Expt_31, no=63, id=1827, vol=5.132588e+05
    or (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   47 and name   HA) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   47 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=Expt_31, no=66, id=1828, vol=1.115913e+06
assign (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   67 and name   HA) 1.943 0.472 0.472 weight 1.000 ! spec=Expt_31, no=69, id=1831, vol=3.888123e+06
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   67 and name   HA)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   67 and name   HA)
assign (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   54 and name   HA) 2.904 1.054 1.054 weight 1.000 ! spec=Expt_31, no=71, id=1833, vol=9.293877e+05
assign (segid "   B" and resid   93 and name   HA) (segid "   B" and resid   93 and name  HB1) 2.909 1.058 1.058 weight 1.000 ! spec=Expt_31, no=72, id=1834, vol=1.022878e+06
assign (segid "   B" and resid   55 and name HG23) (segid "   B" and resid   55 and name   HA) 2.049 0.525 0.525 weight 1.000 ! spec=Expt_31, no=73, id=1835, vol=3.098108e+06
    or (segid "   B" and resid   55 and name HG21) (segid "   B" and resid   55 and name   HA)
    or (segid "   B" and resid   55 and name HG22) (segid "   B" and resid   55 and name   HA)
assign (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name   HA) 2.261 0.639 0.639 weight 1.000 ! spec=Expt_31, no=74, id=1836, vol=2.068640e+06
assign (segid "   B" and resid   50 and name  HB1) (segid "   B" and resid   58 and name   HA) 2.611 0.852 0.852 weight 1.000 ! spec=Expt_31, no=76, id=1837, vol=5.141883e+05
assign (segid "   B" and resid   50 and name  HB2) (segid "   B" and resid   58 and name   HA) 3.898 1.899 1.899 weight 1.000 ! spec=Expt_31, no=77, id=1838, vol=5.062099e+05
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   58 and name   HA) 3.177 1.262 1.262 weight 1.000 ! spec=Expt_31, no=78, id=1839, vol=5.687313e+05
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   58 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=Expt_31, no=79, id=1840, vol=6.585832e+05
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   62 and name   HA) 3.039 1.155 1.155 weight 1.000 ! spec=Expt_31, no=83, id=1842, vol=6.608547e+05
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   62 and name   HA)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   62 and name   HA)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   62 and name   HA) 2.297 0.659 0.659 weight 1.000 ! spec=Expt_31, no=84, id=1843, vol=1.357753e+06
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   62 and name   HA)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   62 and name   HA)
assign (segid "   B" and resid   46 and name   HA) (segid "   B" and resid   62 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=Expt_31, no=91, id=1848, vol=6.667839e+05
assign (segid "   B" and resid   63 and name   HA) (segid "   B" and resid   63 and name   HN) 2.877 1.034 1.034 weight 1.000 ! spec=Expt_31, no=93, id=1850, vol=4.040873e+05
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name   HA) 2.036 0.518 0.518 weight 1.000 ! spec=Expt_31, no=95, id=1851, vol=1.930632e+06
assign (segid "   B" and resid   64 and name   HA) (segid "   B" and resid   65 and name   HN) 2.301 0.662 0.662 weight 1.000 ! spec=Expt_31, no=96, id=1852, vol=1.866422e+06
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   64 and name   HA) 2.277 0.648 0.648 weight 1.000 ! spec=Expt_31, no=97, id=1853, vol=1.365451e+06
assign (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   64 and name   HA) 3.226 1.301 1.301 weight 1.000 ! spec=Expt_31, no=98, id=1854, vol=4.708140e+05
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   64 and name   HA) 2.735 0.935 0.935 weight 1.000 ! spec=Expt_31, no=99, id=1855, vol=1.322438e+06
assign (segid "   B" and resid   66 and name  HB1) (segid "   B" and resid   66 and name   HA) 2.610 0.851 0.851 weight 1.000 ! spec=Expt_31, no=100, id=1856, vol=1.583990e+06
assign (segid "   B" and resid   66 and name  HB2) (segid "   B" and resid   66 and name   HA) 2.445 0.747 0.747 weight 1.000 ! spec=Expt_31, no=101, id=1857, vol=1.676397e+06
assign (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   69 and name   HN) 2.626 0.862 0.862 weight 1.000 ! spec=Expt_31, no=108, id=1860, vol=7.118206e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   87 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_31, no=109, id=1861, vol=4.053832e+05
assign (segid "   B" and resid   69 and name  HB2) (segid "   B" and resid   70 and name   HN) 3.882 1.883 1.883 weight 1.000 ! spec=Expt_31, no=116, id=1866, vol=3.880143e+05
assign (segid "   B" and resid   69 and name  HB1) (segid "   B" and resid   70 and name   HN) 3.118 1.216 1.216 weight 1.000 ! spec=Expt_31, no=117, id=1867, vol=4.213087e+05
assign (segid "   B" and resid   69 and name  HB2) (segid "   B" and resid   69 and name   HN) 3.440 1.480 1.480 weight 1.000 ! spec=Expt_31, no=119, id=1868, vol=2.079634e+05
assign (segid "   B" and resid   69 and name  HB2) (segid "   A" and resid   26 and name   HA) 3.627 1.644 1.644 weight 1.000 ! spec=Expt_31, no=121, id=1870, vol=5.927317e+05
assign (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   69 and name  HB2) 2.758 0.951 0.951 weight 1.000 ! spec=Expt_31, no=123, id=1871, vol=6.372332e+05
assign (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   69 and name  HB1) 2.606 0.849 0.849 weight 1.000 ! spec=Expt_31, no=124, id=1872, vol=7.326422e+05
assign (segid "   A" and resid   26 and name  HG2) (segid "   B" and resid   69 and name  HB2) 2.750 0.945 0.945 weight 1.000 ! spec=Expt_31, no=129, id=1874, vol=4.580660e+05
assign (segid "   A" and resid   26 and name  HG2) (segid "   B" and resid   69 and name  HB1) 2.571 0.826 0.826 weight 1.000 ! spec=Expt_31, no=130, id=1875, vol=4.455172e+05
assign (segid "   B" and resid   71 and name HG21) (segid "   B" and resid   71 and name   HA) 2.053 0.527 0.527 weight 1.000 ! spec=Expt_31, no=131, id=1876, vol=2.358338e+06
    or (segid "   B" and resid   71 and name HG22) (segid "   B" and resid   71 and name   HA)
    or (segid "   B" and resid   71 and name HG23) (segid "   B" and resid   71 and name   HA)
assign (segid "   B" and resid   97 and name   HA) (segid "   B" and resid   98 and name   HN) 2.078 0.540 0.540 weight 1.000 ! spec=Expt_31, no=135, id=1880, vol=2.690658e+06
assign (segid "   B" and resid   73 and name  HB1) (segid "   B" and resid   73 and name   HA) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_31, no=137, id=1882, vol=1.326015e+06
assign (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   75 and name   HA) 2.141 0.573 0.573 weight 1.000 ! spec=Expt_31, no=144, id=1885, vol=1.649213e+06
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   75 and name   HA)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   75 and name   HA)
assign (segid "   B" and resid   80 and name   HA) (segid "   B" and resid   81 and name   HN) 2.630 0.864 0.864 weight 1.000 ! spec=Expt_31, no=151, id=1886, vol=7.421602e+05
assign (segid "   B" and resid   80 and name   HA) (segid "   B" and resid   80 and name   HB) 2.921 1.067 1.067 weight 1.000 ! spec=Expt_31, no=152, id=1887, vol=3.523283e+05
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name   HA) 2.352 0.691 0.691 weight 1.000 ! spec=Expt_31, no=160, id=1889, vol=1.889417e+06
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name   HA) 2.567 0.824 0.824 weight 1.000 ! spec=Expt_31, no=161, id=1890, vol=1.430271e+06
assign (segid "   B" and resid   82 and name   HA) (segid "   B" and resid  100 and name   HA) 2.698 0.910 0.910 weight 1.000 ! spec=Expt_31, no=166, id=1893, vol=9.685323e+05
assign (segid "   B" and resid   82 and name   HA) (segid "   B" and resid   82 and name   HN) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_31, no=167, id=1894, vol=9.127747e+05
assign (segid "   B" and resid   82 and name   HA) (segid "   B" and resid   83 and name   HN) 2.251 0.634 0.634 weight 1.000 ! spec=Expt_31, no=168, id=1895, vol=2.018286e+06
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   85 and name   HA) 2.271 0.645 0.645 weight 1.000 ! spec=Expt_31, no=171, id=1896, vol=9.879225e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   85 and name   HA)
assign (segid "   B" and resid   85 and name   HG) (segid "   B" and resid   85 and name   HA) 3.139 1.232 1.232 weight 1.000 ! spec=Expt_31, no=174, id=1897, vol=5.843823e+05
assign (segid "   B" and resid   85 and name   HA) (segid "   B" and resid   86 and name   HN) 2.481 0.769 0.769 weight 1.000 ! spec=Expt_31, no=178, id=1898, vol=7.790950e+05
assign (segid "   B" and resid   86 and name   HA) (segid "   B" and resid   96 and name   HA) 2.626 0.862 0.862 weight 1.000 ! spec=Expt_31, no=179, id=1899, vol=6.244280e+05
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name   HA) 2.482 0.770 0.770 weight 1.000 ! spec=Expt_31, no=181, id=1901, vol=6.546559e+05
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   86 and name   HA) 2.220 0.616 0.616 weight 1.000 ! spec=Expt_31, no=182, id=1902, vol=1.213712e+06
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   86 and name   HA)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   86 and name   HA)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   88 and name   HA) 2.427 0.736 0.736 weight 1.000 ! spec=Expt_31, no=184, id=1904, vol=7.000329e+05
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   88 and name   HA)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   88 and name   HA)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   88 and name   HA) 2.050 0.525 0.525 weight 1.000 ! spec=Expt_31, no=186, id=1905, vol=1.917661e+06
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   88 and name   HA)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   88 and name   HA)
assign (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   56 and name  HA1) 1.760 0.387 0.387 weight 1.000 ! spec=Expt_31, no=189, id=1907, vol=4.151045e+06
assign (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   57 and name  HB1) 4.626 2.675 2.675 weight 1.000 ! spec=Expt_31, no=193, id=1909, vol=2.078339e+05
assign (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   88 and name HG22) 2.596 0.842 0.842 weight 1.000 ! spec=Expt_31, no=198, id=1914, vol=5.411185e+05
    or (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   92 and name  HA1) 3.535 1.562 1.562 weight 1.000 ! spec=Expt_31, no=199, id=1915, vol=5.739074e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   92 and name  HA1)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   92 and name  HA1)
assign (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   92 and name  HA1) 1.814 0.411 0.411 weight 1.000 ! spec=Expt_31, no=201, id=1917, vol=4.242190e+06
assign (segid "   B" and resid   78 and name  HA1) (segid "   B" and resid   78 and name  HA2) 1.962 0.481 0.481 weight 1.000 ! spec=Expt_31, no=211, id=1922, vol=2.415572e+06
assign (segid "   B" and resid   74 and name  HA1) (segid "   B" and resid   74 and name  HA2) 1.954 0.477 0.477 weight 1.000 ! spec=Expt_31, no=221, id=1928, vol=2.742209e+06
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   45 and name  HE1) 4.219 2.226 2.226 weight 1.000 ! spec=Expt_31, no=224, id=1931, vol=4.169186e+05
    or (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   45 and name  HD1) 4.508 2.540 2.540 weight 1.000 ! spec=Expt_31, no=225, id=1932, vol=2.907013e+05
    or (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   42 and name HG21) 3.569 1.592 1.592 weight 1.000 ! spec=Expt_31, no=230, id=1934, vol=2.645372e+05
    or (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   61 and name   HA) 2.000 0.500 0.500 weight 1.000 ! spec=Expt_31, no=235, id=1938, vol=2.239364e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   61 and name   HA)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   61 and name   HA)
assign (segid "   B" and resid   68 and name   HA) (segid "   B" and resid   68 and name   HN) 3.019 1.139 1.139 weight 1.000 ! spec=Expt_31, no=238, id=1941, vol=4.995754e+05
assign (segid "   B" and resid   68 and name  HB1) (segid "   B" and resid   68 and name   HA) 2.597 0.843 0.843 weight 1.000 ! spec=Expt_31, no=244, id=1947, vol=9.477181e+05
assign (segid "   B" and resid   68 and name   HA) (segid "   B" and resid   68 and name  HB2) 2.952 1.089 1.089 weight 1.000 ! spec=Expt_31, no=245, id=1948, vol=9.440465e+05
assign (segid "   B" and resid  100 and name   HA) (segid "   B" and resid  101 and name   HN) 2.689 0.904 0.904 weight 1.000 ! spec=Expt_31, no=249, id=1949, vol=9.206353e+05
assign (segid "   B" and resid   38 and name  HB1) (segid "   B" and resid   38 and name   HA) 2.634 0.867 0.867 weight 1.000 ! spec=Expt_31, no=255, id=1953, vol=1.056696e+06
assign (segid "   B" and resid   39 and name  HD1) (segid "   B" and resid   38 and name   HA) 1.921 0.461 0.461 weight 1.000 ! spec=Expt_31, no=257, id=1955, vol=3.740199e+06
assign (segid "   B" and resid   39 and name  HD2) (segid "   B" and resid   38 and name   HA) 2.152 0.579 0.579 weight 1.000 ! spec=Expt_31, no=258, id=1956, vol=4.082992e+06
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=Expt_31, no=262, id=1958, vol=8.709454e+05
assign (segid "   B" and resid   88 and name   HA) (segid "   B" and resid   94 and name   HA) 2.885 1.040 1.040 weight 1.000 ! spec=Expt_31, no=271, id=1960, vol=5.500325e+05
assign (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   94 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=Expt_31, no=272, id=1961, vol=6.323827e+05
assign (segid "   B" and resid   94 and name  HG1) (segid "   B" and resid   94 and name   HA) 3.116 1.213 1.213 weight 1.000 ! spec=Expt_31, no=273, id=1962, vol=7.252293e+05
assign (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   82 and name   HA) 2.805 0.983 0.983 weight 1.000 ! spec=Expt_31, no=276, id=1964, vol=1.222116e+06
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   61 and name   HN) 2.222 0.617 0.617 weight 1.000 ! spec=Expt_31, no=278, id=1965, vol=1.969306e+06
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   49 and name  HH2) 3.574 1.597 1.597 weight 1.000 ! spec=Expt_31, no=280, id=1967, vol=2.987946e+05
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   49 and name  HZ3) 3.123 1.219 1.219 weight 1.000 ! spec=Expt_31, no=282, id=1968, vol=3.839615e+05
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   60 and name   HA) 2.517 0.792 0.792 weight 1.000 ! spec=Expt_31, no=283, id=1969, vol=9.822532e+05
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   63 and name HG21) 3.549 1.574 1.574 weight 1.000 ! spec=Expt_31, no=287, id=1973, vol=3.890501e+05
    or (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   42 and name HG21) 3.297 1.359 1.359 weight 1.000 ! spec=Expt_31, no=289, id=1974, vol=2.358070e+05
    or (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   44 and name   HA) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_31, no=290, id=1975, vol=5.220080e+05
assign (segid "   B" and resid   98 and name   HA) (segid "   B" and resid   98 and name   HN) 2.968 1.101 1.101 weight 1.000 ! spec=Expt_31, no=291, id=1976, vol=3.911840e+05
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   98 and name   HA) 2.372 0.703 0.703 weight 1.000 ! spec=Expt_31, no=298, id=1981, vol=8.722164e+05
assign (segid "   B" and resid   98 and name  HB1) (segid "   B" and resid   98 and name   HA) 2.963 1.098 1.098 weight 1.000 ! spec=Expt_31, no=301, id=1982, vol=7.527400e+05
assign (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   98 and name   HA) 2.672 0.892 0.892 weight 1.000 ! spec=Expt_31, no=302, id=1983, vol=6.971631e+05
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name   HA) 3.259 1.328 1.328 weight 1.000 ! spec=Expt_31, no=303, id=1984, vol=4.593731e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name   HA)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name   HA)
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   46 and name HD12) 2.913 1.060 1.060 weight 1.000 ! spec=Expt_31, no=305, id=1986, vol=4.485173e+05
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   44 and name  HB2) 3.781 1.787 1.787 weight 1.000 ! spec=Expt_31, no=308, id=1987, vol=1.922077e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   87 and name  HB1) 3.591 1.612 1.612 weight 1.000 ! spec=Expt_31, no=311, id=1989, vol=2.728398e+05
assign (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   45 and name  HE1) 3.944 1.944 1.944 weight 1.000 ! spec=Expt_31, no=313, id=1990, vol=2.424117e+05
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=Expt_31, no=316, id=1993, vol=8.889257e+05
assign (segid "   B" and resid   59 and name   HA) (segid "   B" and resid   59 and name  HG2) 2.798 0.978 0.978 weight 1.000 ! spec=Expt_31, no=317, id=1994, vol=9.688012e+05
assign (segid "   B" and resid   59 and name   HA) (segid "   B" and resid   59 and name  HB2) 2.979 1.109 1.109 weight 1.000 ! spec=Expt_31, no=318, id=1995, vol=8.907182e+05
assign (segid "   B" and resid   59 and name   HA) (segid "   B" and resid   59 and name  HB1) 2.441 0.745 0.745 weight 1.000 ! spec=Expt_31, no=319, id=1996, vol=1.129945e+06
assign (segid "   B" and resid   57 and name   HA) (segid "   B" and resid   58 and name  HD1) 3.678 1.691 1.691 weight 1.000 ! spec=Expt_31, no=322, id=1997, vol=2.927500e+05
assign (segid "   B" and resid   57 and name   HA) (segid "   B" and resid   58 and name   HN) 2.176 0.592 0.592 weight 1.000 ! spec=Expt_31, no=324, id=1999, vol=2.244075e+06
assign (segid "   B" and resid   99 and name  HB2) (segid "   B" and resid   99 and name   HA) 2.471 0.763 0.763 weight 1.000 ! spec=Expt_31, no=328, id=2001, vol=1.430297e+06
assign (segid "   B" and resid   99 and name  HB1) (segid "   B" and resid   99 and name   HA) 2.379 0.708 0.708 weight 1.000 ! spec=Expt_31, no=329, id=2002, vol=1.470364e+06
assign (segid "   B" and resid   99 and name   HA) (segid "   B" and resid   99 and name  HD2) 4.016 2.016 2.016 weight 1.000 ! spec=Expt_31, no=330, id=2003, vol=4.145612e+05
    or (segid "   B" and resid   99 and name   HA) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   15 and name HG13) 3.364 1.415 1.415 weight 1.000 ! spec=Expt_31, no=333, id=2006, vol=3.686174e+05
    or (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   23 and name HD11) 3.942 1.942 1.942 weight 1.000 ! spec=Expt_31, no=334, id=2007, vol=2.026706e+05
    or (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   23 and name HD13)
    or (segid "   B" and resid  101 and name   HA) (segid "   A" and resid   23 and name HD12)
assign (segid "   B" and resid  101 and name  HB2) (segid "   B" and resid  101 and name   HA) 2.576 0.830 0.830 weight 1.000 ! spec=Expt_31, no=335, id=2008, vol=8.626811e+05
assign (segid "   B" and resid  101 and name  HB1) (segid "   B" and resid  101 and name   HA) 2.853 1.017 1.017 weight 1.000 ! spec=Expt_31, no=336, id=2009, vol=1.030186e+06
assign (segid "   B" and resid  101 and name   HA) (segid "   B" and resid  101 and name  HD1) 3.862 1.864 1.864 weight 1.000 ! spec=Expt_31, no=337, id=2010, vol=2.783938e+05
    or (segid "   B" and resid  101 and name   HA) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid   58 and name   HA) (segid "   B" and resid   58 and name  HD1) 3.635 1.652 1.652 weight 1.000 ! spec=Expt_31, no=341, id=2013, vol=3.438397e+05
assign (segid "   B" and resid   91 and name   HA) (segid "   B" and resid   91 and name  HD1) 3.281 1.345 1.345 weight 1.000 ! spec=Expt_31, no=342, id=2014, vol=8.221317e+05
    or (segid "   B" and resid   91 and name   HA) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   91 and name  HB2) (segid "   B" and resid   91 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=Expt_31, no=343, id=2015, vol=1.417134e+06
assign (segid "   B" and resid   90 and name  HB2) (segid "   B" and resid   90 and name   HA) 2.630 0.864 0.864 weight 1.000 ! spec=Expt_31, no=345, id=2016, vol=1.035348e+06
assign (segid "   B" and resid   90 and name   HA) (segid "   B" and resid   90 and name  HG1) 2.997 1.123 1.123 weight 1.000 ! spec=Expt_31, no=347, id=2018, vol=7.987529e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   82 and name   HN) 4.208 2.213 2.213 weight 1.000 ! spec=Expt_31, no=350, id=2020, vol=2.012101e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   82 and name  HG1) 3.759 1.766 1.766 weight 1.000 ! spec=Expt_31, no=353, id=2021, vol=6.032088e+05
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name   HA) 2.573 0.827 0.827 weight 1.000 ! spec=Expt_31, no=356, id=2024, vol=6.342465e+05
assign (segid "   B" and resid   70 and name   HA) (segid "   B" and resid   70 and name  HD2) 3.247 1.318 1.318 weight 1.000 ! spec=Expt_31, no=357, id=2025, vol=7.394242e+05
    or (segid "   B" and resid   70 and name   HA) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   70 and name   HA) (segid "   B" and resid   70 and name   HN) 3.039 1.155 1.155 weight 1.000 ! spec=Expt_31, no=358, id=2026, vol=4.094514e+05
assign (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name   HA) 3.077 1.183 1.183 weight 1.000 ! spec=Expt_31, no=360, id=2028, vol=2.730550e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   43 and name  HB1) 4.202 2.208 2.208 weight 1.000 ! spec=Expt_31, no=363, id=2030, vol=4.206236e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   89 and name  HG2) 2.945 1.084 1.084 weight 1.000 ! spec=Expt_31, no=364, id=2031, vol=3.103820e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name HG11) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_31, no=365, id=2032, vol=2.563982e+05
assign (segid "   B" and resid   88 and name HG11) (segid "   B" and resid   88 and name   HA) 3.261 1.329 1.329 weight 1.000 ! spec=Expt_31, no=366, id=2033, vol=4.240263e+05
assign (segid "   B" and resid   88 and name   HA) (segid "   B" and resid   89 and name  HG2) 4.042 2.042 2.042 weight 1.000 ! spec=Expt_31, no=368, id=2034, vol=6.564844e+05
assign (segid "   B" and resid   97 and name   HA) (segid "   B" and resid   97 and name   HB) 2.968 1.101 1.101 weight 1.000 ! spec=Expt_31, no=370, id=2035, vol=4.652071e+05
assign (segid "   B" and resid   96 and name   HB) (segid "   B" and resid   96 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=Expt_31, no=372, id=2036, vol=6.700565e+05
assign (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG12) 2.329 0.678 0.678 weight 1.000 ! spec=Expt_31, no=373, id=2037, vol=1.301979e+06
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG21) 2.149 0.577 0.577 weight 1.000 ! spec=Expt_31, no=374, id=2038, vol=1.817315e+06
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name   HB) 2.989 1.117 1.117 weight 1.000 ! spec=Expt_31, no=376, id=2039, vol=3.976730e+05
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name HG22) 2.546 0.810 0.810 weight 1.000 ! spec=Expt_31, no=384, id=2046, vol=7.053366e+05
    or (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name HG23)
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name HG11) 2.615 0.854 0.854 weight 1.000 ! spec=Expt_31, no=385, id=2047, vol=6.315939e+05
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HD2) 3.490 1.522 1.522 weight 1.000 ! spec=Expt_31, no=387, id=2048, vol=3.284960e+05
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HB2) 2.651 0.879 0.879 weight 1.000 ! spec=Expt_31, no=390, id=2051, vol=1.409398e+06
assign (segid "   B" and resid   64 and name   HA) (segid "   B" and resid   44 and name  HB2) 3.494 1.526 1.526 weight 1.000 ! spec=Expt_31, no=393, id=2052, vol=2.490760e+05
assign (segid "   B" and resid   54 and name  HB1) (segid "   B" and resid   54 and name  HB2) 1.739 0.378 0.378 weight 1.000 ! spec=Expt_31, no=402, id=2056, vol=2.490831e+06
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   72 and name   HN) 2.829 1.000 1.000 weight 1.000 ! spec=Expt_44, no=1, id=2067, vol=2.233303e+06
assign (segid "   B" and resid   71 and name   HA) (segid "   B" and resid   72 and name   HN) 2.251 0.633 0.633 weight 1.000 ! spec=Expt_44, no=2, id=2068, vol=6.131026e+06
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name   HN) 2.359 0.696 0.696 weight 1.000 ! spec=Expt_44, no=3, id=2069, vol=2.174497e+06
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name   HN) 2.534 0.803 0.803 weight 1.000 ! spec=Expt_44, no=4, id=2070, vol=3.041542e+06
assign (segid "   B" and resid   71 and name HG21) (segid "   B" and resid   72 and name   HN) 2.638 0.870 0.870 weight 1.000 ! spec=Expt_44, no=5, id=2071, vol=4.547072e+06
    or (segid "   B" and resid   71 and name HG22) (segid "   B" and resid   72 and name   HN)
    or (segid "   B" and resid   71 and name HG23) (segid "   B" and resid   72 and name   HN)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name  HB2) 3.044 1.158 1.158 weight 1.000 ! spec=Expt_44, no=6, id=2072, vol=2.385793e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name  HB1) 3.493 1.525 1.525 weight 1.000 ! spec=Expt_44, no=7, id=2073, vol=8.146188e+05
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   38 and name   HN) 2.486 0.772 0.772 weight 1.000 ! spec=Expt_44, no=9, id=2075, vol=5.834666e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name   HA) 3.424 1.466 1.466 weight 1.000 ! spec=Expt_44, no=10, id=2076, vol=9.659850e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HB1) 4.488 2.517 2.517 weight 1.000 ! spec=Expt_44, no=11, id=2077, vol=5.199663e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name   HA) 2.613 0.854 0.854 weight 1.000 ! spec=Expt_44, no=14, id=2080, vol=3.795741e+06
assign (segid "   B" and resid   39 and name  HB1) (segid "   B" and resid   40 and name   HN) 4.238 2.245 2.245 weight 1.000 ! spec=Expt_44, no=16, id=2082, vol=6.193657e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name  HD1) 4.365 2.382 2.382 weight 1.000 ! spec=Expt_44, no=19, id=2084, vol=2.509913e+05
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   42 and name   HN) 3.445 1.483 1.483 weight 1.000 ! spec=Expt_44, no=24, id=2085, vol=2.120989e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   42 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   42 and name   HN)
assign (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   42 and name   HN) 2.285 0.653 0.653 weight 1.000 ! spec=Expt_44, no=28, id=2087, vol=5.455177e+06
assign (segid "   B" and resid   41 and name  HB1) (segid "   B" and resid   42 and name   HN) 3.472 1.507 1.507 weight 1.000 ! spec=Expt_44, no=29, id=2088, vol=2.825024e+06
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name   HA) 2.863 1.025 1.025 weight 1.000 ! spec=Expt_44, no=30, id=2089, vol=1.636854e+06
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   45 and name  HE1) 5.060 3.200 3.200 weight 1.000 ! spec=Expt_44, no=34, id=2092, vol=4.243421e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   44 and name   HN) 5.135 3.296 3.296 weight 1.000 ! spec=Expt_44, no=35, id=2093, vol=2.744989e+05
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   43 and name   HN) 4.419 2.441 2.441 weight 1.000 ! spec=Expt_44, no=36, id=2094, vol=5.849020e+05
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   43 and name   HA) 4.490 2.520 2.520 weight 1.000 ! spec=Expt_44, no=37, id=2095, vol=2.999844e+05
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   43 and name   HN) 2.596 0.842 0.842 weight 1.000 ! spec=Expt_44, no=42, id=2097, vol=3.920323e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   43 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   43 and name   HN)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   43 and name   HN) 4.150 2.153 2.153 weight 1.000 ! spec=Expt_44, no=43, id=2098, vol=1.560754e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   43 and name   HN)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   43 and name   HN)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name HG12) 4.592 2.636 2.636 weight 1.000 ! spec=Expt_44, no=44, id=2099, vol=1.036243e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name HG11) 4.332 2.346 2.346 weight 1.000 ! spec=Expt_44, no=45, id=2100, vol=7.042411e+05
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   88 and name HD11) 4.772 2.847 2.847 weight 1.000 ! spec=Expt_44, no=46, id=2101, vol=3.694123e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   43 and name   HN) 3.501 1.533 1.533 weight 1.000 ! spec=Expt_44, no=48, id=2103, vol=1.735211e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   44 and name  HB1) 4.429 2.452 2.452 weight 1.000 ! spec=Expt_44, no=49, id=2104, vol=6.487176e+05
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   89 and name  HG2) 4.597 2.642 2.642 weight 1.000 ! spec=Expt_44, no=50, id=2105, vol=7.000085e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   43 and name   HN) 2.156 0.581 0.581 weight 1.000 ! spec=Expt_44, no=52, id=2107, vol=7.224714e+06
assign (segid "   B" and resid   43 and name   HA) (segid "   B" and resid   43 and name   HN) 2.819 0.993 0.993 weight 1.000 ! spec=Expt_44, no=53, id=2108, vol=3.236553e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   89 and name   HA) 2.608 0.850 0.850 weight 1.000 ! spec=Expt_44, no=54, id=2109, vol=4.131497e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HD1) 5.687 4.043 4.043 weight 1.000 ! spec=Expt_44, no=56, id=2111, vol=1.918308e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HE1) 5.425 3.679 3.679 weight 1.000 ! spec=Expt_44, no=57, id=2112, vol=2.854251e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   90 and name   HN) 4.234 2.241 2.241 weight 1.000 ! spec=Expt_44, no=60, id=2114, vol=6.978965e+05
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   44 and name   HN) 3.596 1.617 1.617 weight 1.000 ! spec=Expt_44, no=62, id=2116, vol=1.978205e+06
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   44 and name   HN) 2.181 0.594 0.594 weight 1.000 ! spec=Expt_44, no=64, id=2118, vol=4.860562e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   44 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   44 and name   HN)
assign (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name   HN) 3.351 1.404 1.404 weight 1.000 ! spec=Expt_44, no=65, id=2119, vol=1.707367e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   42 and name HG11) 4.494 2.524 2.524 weight 1.000 ! spec=Expt_44, no=66, id=2120, vol=4.731150e+05
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   44 and name   HN) 2.743 0.940 0.940 weight 1.000 ! spec=Expt_44, no=67, id=2121, vol=2.941969e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   88 and name   HN) 3.109 1.208 1.208 weight 1.000 ! spec=Expt_44, no=68, id=2122, vol=1.421575e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   44 and name   HN) 2.420 0.732 0.732 weight 1.000 ! spec=Expt_44, no=69, id=2123, vol=4.475181e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   90 and name   HN) 5.600 3.921 3.921 weight 1.000 ! spec=Expt_44, no=70, id=2124, vol=2.485242e+05
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name   HN) 4.037 2.037 2.037 weight 1.000 ! spec=Expt_44, no=71, id=2125, vol=8.539595e+05
assign (segid "   B" and resid   44 and name  HG2) (segid "   B" and resid   44 and name   HN) 2.648 0.876 0.876 weight 1.000 ! spec=Expt_44, no=72, id=2126, vol=2.084147e+06
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   44 and name   HN) 3.758 1.765 1.765 weight 1.000 ! spec=Expt_44, no=74, id=2128, vol=1.261158e+06
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   44 and name   HN) 2.765 0.956 0.956 weight 1.000 ! spec=Expt_44, no=76, id=2130, vol=2.387222e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   65 and name  HA1) 3.898 1.900 1.900 weight 1.000 ! spec=Expt_44, no=77, id=2131, vol=6.696770e+05
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   89 and name   HA) 4.081 2.082 2.082 weight 1.000 ! spec=Expt_44, no=78, id=2132, vol=1.413930e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name   HA) 4.245 2.252 2.252 weight 1.000 ! spec=Expt_44, no=79, id=2133, vol=3.063191e+05
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.698 2.759 2.759 weight 1.000 ! spec=Expt_44, no=80, id=2134, vol=3.908930e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.989 3.112 3.112 weight 1.000 ! spec=Expt_44, no=81, id=2135, vol=3.091184e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   88 and name HG12) 4.052 2.052 2.052 weight 1.000 ! spec=Expt_44, no=84, id=2138, vol=7.261088e+05
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   89 and name  HG2) 5.774 4.168 4.168 weight 1.000 ! spec=Expt_44, no=85, id=2139, vol=2.237055e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name  HG1) 3.529 1.557 1.557 weight 1.000 ! spec=Expt_44, no=87, id=2141, vol=1.103061e+06
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   85 and name HD13) 4.694 2.754 2.754 weight 1.000 ! spec=Expt_44, no=88, id=2142, vol=3.705701e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   45 and name   HN) 3.775 1.781 1.781 weight 1.000 ! spec=Expt_44, no=89, id=2143, vol=5.509408e+05
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   45 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   45 and name   HN)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   63 and name HD13) 3.992 1.992 1.992 weight 1.000 ! spec=Expt_44, no=90, id=2144, vol=7.497125e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   45 and name   HN) 2.966 1.100 1.100 weight 1.000 ! spec=Expt_44, no=91, id=2145, vol=3.678746e+06
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   45 and name   HN) 3.713 1.723 1.723 weight 1.000 ! spec=Expt_44, no=92, id=2146, vol=1.221837e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   45 and name   HN)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   45 and name   HN)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   46 and name   HA) 4.153 2.156 2.156 weight 1.000 ! spec=Expt_44, no=93, id=2147, vol=4.555018e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name   HA) 3.122 1.219 1.219 weight 1.000 ! spec=Expt_44, no=96, id=2150, vol=1.351766e+06
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   45 and name   HN) 3.941 1.942 1.942 weight 1.000 ! spec=Expt_44, no=97, id=2151, vol=1.406932e+06
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   45 and name   HN) 2.798 0.978 0.978 weight 1.000 ! spec=Expt_44, no=98, id=2152, vol=1.681243e+06
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   45 and name   HN) 2.708 0.917 0.917 weight 1.000 ! spec=Expt_44, no=99, id=2153, vol=2.960656e+06
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   46 and name HD12) 3.724 1.733 1.733 weight 1.000 ! spec=Expt_44, no=102, id=2156, vol=6.320324e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   65 and name  HA2) 3.913 1.914 1.914 weight 1.000 ! spec=Expt_44, no=104, id=2158, vol=8.623693e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   65 and name  HA1) 4.962 3.077 3.077 weight 1.000 ! spec=Expt_44, no=105, id=2159, vol=6.910126e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   62 and name   HA) 4.514 2.547 2.547 weight 1.000 ! spec=Expt_44, no=109, id=2162, vol=7.122490e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   A" and resid   27 and name  HZ2) 4.991 3.114 3.114 weight 1.000 ! spec=Expt_44, no=110, id=2163, vol=3.500425e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HD1) 3.435 1.475 1.475 weight 1.000 ! spec=Expt_44, no=111, id=2164, vol=2.106558e+06
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.535 2.571 2.571 weight 1.000 ! spec=Expt_44, no=112, id=2165, vol=4.960173e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   65 and name   HN) 4.366 2.383 2.383 weight 1.000 ! spec=Expt_44, no=114, id=2167, vol=7.598613e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   88 and name   HN) 4.735 2.802 2.802 weight 1.000 ! spec=Expt_44, no=116, id=2168, vol=2.967375e+05
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   46 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=Expt_44, no=117, id=2169, vol=4.487057e+06
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   46 and name   HN)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   46 and name   HN)
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name   HN) 2.619 0.857 0.857 weight 1.000 ! spec=Expt_44, no=118, id=2170, vol=2.531872e+06
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name   HA) 3.038 1.153 1.153 weight 1.000 ! spec=Expt_44, no=119, id=2171, vol=1.395050e+06
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   87 and name   HA) 3.395 1.440 1.440 weight 1.000 ! spec=Expt_44, no=121, id=2173, vol=1.286595e+06
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   86 and name   HN) 3.119 1.216 1.216 weight 1.000 ! spec=Expt_44, no=122, id=2174, vol=1.274571e+06
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   63 and name   HN) 4.677 2.735 2.735 weight 1.000 ! spec=Expt_44, no=123, id=2175, vol=2.965970e+05
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.341 2.356 2.356 weight 1.000 ! spec=Expt_44, no=127, id=2178, vol=1.413974e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   85 and name   HA) 3.902 1.903 1.903 weight 1.000 ! spec=Expt_44, no=130, id=2179, vol=7.889371e+05
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   62 and name   HA) 4.153 2.156 2.156 weight 1.000 ! spec=Expt_44, no=131, id=2180, vol=7.222059e+05
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   46 and name   HN) 3.981 1.981 1.981 weight 1.000 ! spec=Expt_44, no=133, id=2182, vol=1.231910e+06
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   46 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=Expt_44, no=134, id=2183, vol=1.886874e+06
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   42 and name HG21) 4.969 3.087 3.087 weight 1.000 ! spec=Expt_44, no=136, id=2185, vol=2.848624e+05
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   85 and name   HG) 4.729 2.795 2.795 weight 1.000 ! spec=Expt_44, no=137, id=2186, vol=2.372138e+05
assign (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   46 and name   HN) 3.211 1.289 1.289 weight 1.000 ! spec=Expt_44, no=142, id=2189, vol=2.255121e+06
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   46 and name   HA) 3.054 1.166 1.166 weight 1.000 ! spec=Expt_44, no=143, id=2190, vol=2.865951e+06
assign (segid "   B" and resid   62 and name   HA) (segid "   B" and resid   63 and name   HN) 2.310 0.667 0.667 weight 1.000 ! spec=Expt_44, no=144, id=2191, vol=6.387710e+06
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   47 and name   HN) 4.429 2.452 2.452 weight 1.000 ! spec=Expt_44, no=145, id=2192, vol=1.030883e+06
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   47 and name   HN) 2.484 0.771 0.771 weight 1.000 ! spec=Expt_44, no=146, id=2193, vol=3.620858e+06
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   47 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=Expt_44, no=147, id=2194, vol=2.896051e+06
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name   HA) 2.809 0.986 0.986 weight 1.000 ! spec=Expt_44, no=148, id=2195, vol=2.327876e+06
assign (segid "   B" and resid   46 and name   HA) (segid "   B" and resid   47 and name   HN) 2.214 0.613 0.613 weight 1.000 ! spec=Expt_44, no=149, id=2196, vol=7.216492e+06
assign (segid "   B" and resid   62 and name   HA) (segid "   B" and resid   47 and name   HN) 3.311 1.370 1.370 weight 1.000 ! spec=Expt_44, no=150, id=2197, vol=1.880861e+06
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   61 and name   HN) 2.867 1.027 1.027 weight 1.000 ! spec=Expt_44, no=151, id=2198, vol=2.141639e+06
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   49 and name  HH2) 4.930 3.038 3.038 weight 1.000 ! spec=Expt_44, no=154, id=2200, vol=4.328366e+05
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   63 and name   HN) 4.377 2.395 2.395 weight 1.000 ! spec=Expt_44, no=155, id=2201, vol=5.911075e+05
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   49 and name  HZ3) 4.178 2.182 2.182 weight 1.000 ! spec=Expt_44, no=156, id=2202, vol=6.842378e+05
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   47 and name   HN) 3.849 1.852 1.852 weight 1.000 ! spec=Expt_44, no=158, id=2204, vol=1.122119e+06
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   47 and name   HN) 2.945 1.084 1.084 weight 1.000 ! spec=Expt_44, no=160, id=2205, vol=1.883329e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   47 and name   HN) 2.633 0.867 0.867 weight 1.000 ! spec=Expt_44, no=161, id=2206, vol=2.501782e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name   HN) 2.663 0.886 0.886 weight 1.000 ! spec=Expt_44, no=164, id=2209, vol=2.819531e+06
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   48 and name   HN) 3.423 1.465 1.465 weight 1.000 ! spec=Expt_44, no=166, id=2211, vol=2.678223e+06
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name  HD2) 5.202 3.383 3.383 weight 1.000 ! spec=Expt_44, no=168, id=2213, vol=4.787273e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   85 and name   HA) 3.351 1.404 1.404 weight 1.000 ! spec=Expt_44, no=170, id=2215, vol=1.440337e+06
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   86 and name   HN) 4.431 2.455 2.455 weight 1.000 ! spec=Expt_44, no=172, id=2217, vol=3.605026e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   47 and name   HN) 4.117 2.118 2.118 weight 1.000 ! spec=Expt_44, no=174, id=2219, vol=7.846073e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   58 and name  HE3) 5.175 3.348 3.348 weight 1.000 ! spec=Expt_44, no=175, id=2220, vol=3.718950e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name   HE) 4.419 2.441 2.441 weight 1.000 ! spec=Expt_44, no=177, id=2221, vol=5.375091e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   49 and name  HZ3) 4.200 2.205 2.205 weight 1.000 ! spec=Expt_44, no=179, id=2223, vol=5.812747e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   49 and name   HA) 4.496 2.526 2.526 weight 1.000 ! spec=Expt_44, no=180, id=2224, vol=3.795688e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   83 and name  HA2) 4.719 2.784 2.784 weight 1.000 ! spec=Expt_44, no=181, id=2225, vol=4.771617e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   83 and name  HA1) 4.709 2.772 2.772 weight 1.000 ! spec=Expt_44, no=183, id=2226, vol=3.549949e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   60 and name  HG2) 5.835 4.256 4.256 weight 1.000 ! spec=Expt_44, no=185, id=2228, vol=4.800194e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HB2) 3.811 1.816 1.816 weight 1.000 ! spec=Expt_44, no=190, id=2232, vol=5.657486e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HB1) 4.155 2.158 2.158 weight 1.000 ! spec=Expt_44, no=191, id=2233, vol=7.183057e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   49 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=Expt_44, no=192, id=2234, vol=1.331576e+06
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   49 and name   HN) 2.390 0.714 0.714 weight 1.000 ! spec=Expt_44, no=193, id=2235, vol=5.562958e+06
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   60 and name   HA) 3.638 1.655 1.655 weight 1.000 ! spec=Expt_44, no=194, id=2236, vol=2.051943e+06
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   49 and name   HN) 4.019 2.019 2.019 weight 1.000 ! spec=Expt_44, no=196, id=2238, vol=1.129146e+06
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   58 and name  HE3) 3.009 1.131 1.131 weight 1.000 ! spec=Expt_44, no=199, id=2240, vol=2.223260e+06
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HE3) 3.372 1.422 1.422 weight 1.000 ! spec=Expt_44, no=201, id=2241, vol=1.040941e+06
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   83 and name  HA2) 5.596 3.914 3.914 weight 1.000 ! spec=Expt_44, no=203, id=2243, vol=3.207275e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   50 and name   HA) 4.354 2.370 2.370 weight 1.000 ! spec=Expt_44, no=204, id=2244, vol=2.743091e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   58 and name   HA) 3.738 1.747 1.747 weight 1.000 ! spec=Expt_44, no=205, id=2245, vol=1.306876e+06
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   49 and name   HN) 3.586 1.608 1.608 weight 1.000 ! spec=Expt_44, no=206, id=2246, vol=9.790253e+05
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   49 and name   HN) 4.947 3.059 3.059 weight 1.000 ! spec=Expt_44, no=207, id=2247, vol=7.027099e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   83 and name  HA1) 5.218 3.403 3.403 weight 1.000 ! spec=Expt_44, no=208, id=2248, vol=2.035470e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   48 and name  HD2) 5.212 3.396 3.396 weight 1.000 ! spec=Expt_44, no=209, id=2249, vol=3.903510e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   48 and name  HD1) 5.804 4.211 4.211 weight 1.000 ! spec=Expt_44, no=210, id=2250, vol=3.586389e+05
assign (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   49 and name   HN) 2.683 0.900 0.900 weight 1.000 ! spec=Expt_44, no=212, id=2252, vol=3.062954e+06
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   49 and name   HN) 3.528 1.556 1.556 weight 1.000 ! spec=Expt_44, no=213, id=2253, vol=2.494812e+06
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   49 and name   HN) 4.197 2.202 2.202 weight 1.000 ! spec=Expt_44, no=217, id=2256, vol=1.223264e+06
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   49 and name   HN) 3.039 1.154 1.154 weight 1.000 ! spec=Expt_44, no=218, id=2257, vol=1.192204e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   50 and name  HB1) 3.410 1.454 1.454 weight 1.000 ! spec=Expt_44, no=219, id=2258, vol=1.210510e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   50 and name  HB2) 3.256 1.325 1.325 weight 1.000 ! spec=Expt_44, no=220, id=2259, vol=9.464777e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   50 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=Expt_44, no=221, id=2260, vol=1.822154e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   50 and name  HD1) 5.302 3.514 3.514 weight 1.000 ! spec=Expt_44, no=223, id=2262, vol=5.015589e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   81 and name  HB2) 3.495 1.527 1.527 weight 1.000 ! spec=Expt_44, no=224, id=2263, vol=1.620818e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   83 and name  HA2) 5.053 3.192 3.192 weight 1.000 ! spec=Expt_44, no=225, id=2264, vol=9.210714e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   83 and name  HA1) 4.402 2.422 2.422 weight 1.000 ! spec=Expt_44, no=226, id=2265, vol=7.323347e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   58 and name  HE3) 3.589 1.610 1.610 weight 1.000 ! spec=Expt_44, no=229, id=2266, vol=1.385932e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   58 and name  HZ3) 3.099 1.200 1.200 weight 1.000 ! spec=Expt_44, no=231, id=2267, vol=2.653887e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   49 and name  HD1) 3.182 1.265 1.265 weight 1.000 ! spec=Expt_44, no=232, id=2268, vol=2.559435e+06
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   50 and name   HN) 2.392 0.715 0.715 weight 1.000 ! spec=Expt_44, no=233, id=2269, vol=5.497930e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   81 and name   HA) 4.589 2.632 2.632 weight 1.000 ! spec=Expt_44, no=236, id=2270, vol=4.768384e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   58 and name   HA) 4.703 2.764 2.764 weight 1.000 ! spec=Expt_44, no=237, id=2271, vol=4.757513e+05
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   49 and name  HB1) 2.820 0.994 0.994 weight 1.000 ! spec=Expt_44, no=239, id=2272, vol=2.430336e+06
assign (segid "   B" and resid   49 and name  HB2) (segid "   B" and resid   50 and name   HN) 4.113 2.114 2.114 weight 1.000 ! spec=Expt_44, no=240, id=2273, vol=2.055281e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   82 and name  HB1) 3.144 1.236 1.236 weight 1.000 ! spec=Expt_44, no=242, id=2274, vol=1.309686e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   82 and name  HB2) 4.228 2.234 2.234 weight 1.000 ! spec=Expt_44, no=243, id=2275, vol=1.078253e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   72 and name HD12) 5.297 3.507 3.507 weight 1.000 ! spec=Expt_44, no=247, id=2277, vol=2.250153e+05
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   52 and name   HN) 2.923 1.068 1.068 weight 1.000 ! spec=Expt_44, no=248, id=2278, vol=5.121252e+06
assign (segid "   B" and resid   52 and name  HB1) (segid "   B" and resid   52 and name   HN) 2.230 0.621 0.621 weight 1.000 ! spec=Expt_44, no=249, id=2279, vol=4.874087e+06
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name   HN) 2.371 0.703 0.703 weight 1.000 ! spec=Expt_44, no=251, id=2281, vol=6.782200e+06
assign (segid "   B" and resid   81 and name   HA) (segid "   B" and resid   52 and name   HN) 2.625 0.862 0.862 weight 1.000 ! spec=Expt_44, no=252, id=2282, vol=3.863241e+06
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   82 and name   HN) 3.513 1.543 1.543 weight 1.000 ! spec=Expt_44, no=255, id=2284, vol=2.063263e+06
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   81 and name   HN) 4.727 2.793 2.793 weight 1.000 ! spec=Expt_44, no=256, id=2285, vol=3.608186e+05
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   81 and name  HD1) 5.041 3.177 3.177 weight 1.000 ! spec=Expt_44, no=258, id=2286, vol=3.240996e+05
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   80 and name   HA) 4.540 2.576 2.576 weight 1.000 ! spec=Expt_44, no=261, id=2287, vol=4.589475e+05
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   82 and name  HG2) 5.139 3.302 3.302 weight 1.000 ! spec=Expt_44, no=265, id=2289, vol=3.438309e+05
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   52 and name   HN) 4.168 2.171 2.171 weight 1.000 ! spec=Expt_44, no=266, id=2290, vol=1.122551e+06
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   52 and name   HN) 2.990 1.118 1.118 weight 1.000 ! spec=Expt_44, no=270, id=2293, vol=1.344992e+06
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   52 and name   HN)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   52 and name   HN)
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   53 and name   HN) 3.153 1.242 1.242 weight 1.000 ! spec=Expt_44, no=272, id=2295, vol=1.138140e+06
assign (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   68 and name   HN) 2.286 0.653 0.653 weight 1.000 ! spec=Expt_44, no=273, id=2296, vol=7.601589e+06
assign (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   70 and name   HN) 4.368 2.385 2.385 weight 1.000 ! spec=Expt_44, no=276, id=2297, vol=5.761137e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   70 and name   HN) 5.373 3.608 3.608 weight 1.000 ! spec=Expt_44, no=277, id=2298, vol=4.886367e+05
assign (segid "   B" and resid   53 and name   HA) (segid "   B" and resid   53 and name   HN) 2.596 0.842 0.842 weight 1.000 ! spec=Expt_44, no=280, id=2301, vol=5.786880e+06
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   52 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=Expt_44, no=282, id=2302, vol=2.420972e+06
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   52 and name  HB1) 3.133 1.227 1.227 weight 1.000 ! spec=Expt_44, no=283, id=2303, vol=1.782038e+06
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   82 and name  HG1) 5.019 3.149 3.149 weight 1.000 ! spec=Expt_44, no=285, id=2305, vol=6.917160e+05
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   54 and name  HB2) 5.851 4.279 4.279 weight 1.000 ! spec=Expt_44, no=287, id=2306, vol=2.250008e+05
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   53 and name   HN) 2.815 0.990 0.990 weight 1.000 ! spec=Expt_44, no=288, id=2307, vol=4.251011e+06
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   53 and name   HN) 3.298 1.360 1.360 weight 1.000 ! spec=Expt_44, no=291, id=2310, vol=7.519821e+05
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   55 and name   HN) 4.836 2.923 2.923 weight 1.000 ! spec=Expt_44, no=292, id=2311, vol=5.849243e+05
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   54 and name  HB1) 3.365 1.416 1.416 weight 1.000 ! spec=Expt_44, no=293, id=2312, vol=2.839983e+06
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   54 and name  HB2) 2.844 1.011 1.011 weight 1.000 ! spec=Expt_44, no=294, id=2313, vol=2.191894e+06
assign (segid "   B" and resid   55 and name HG11) (segid "   B" and resid   55 and name   HN) 2.166 0.586 0.586 weight 1.000 ! spec=Expt_44, no=296, id=2314, vol=5.760892e+06
    or (segid "   B" and resid   55 and name HG12) (segid "   B" and resid   55 and name   HN)
    or (segid "   B" and resid   55 and name HG13) (segid "   B" and resid   55 and name   HN)
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   55 and name HG23) 2.683 0.900 0.900 weight 1.000 ! spec=Expt_44, no=297, id=2315, vol=2.847835e+06
    or (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   55 and name   HB) 3.162 1.250 1.250 weight 1.000 ! spec=Expt_44, no=298, id=2316, vol=1.515012e+06
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   54 and name  HB2) 3.450 1.487 1.487 weight 1.000 ! spec=Expt_44, no=299, id=2317, vol=1.406078e+06
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   54 and name  HB1) 2.558 0.818 0.818 weight 1.000 ! spec=Expt_44, no=300, id=2318, vol=2.198459e+06
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   56 and name  HA2) 4.891 2.990 2.990 weight 1.000 ! spec=Expt_44, no=301, id=2319, vol=4.765495e+05
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   55 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=Expt_44, no=302, id=2320, vol=2.828600e+06
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   54 and name   HA) 2.472 0.764 0.764 weight 1.000 ! spec=Expt_44, no=303, id=2321, vol=6.732894e+06
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG11) 2.695 0.908 0.908 weight 1.000 ! spec=Expt_44, no=306, id=2324, vol=2.614481e+06
    or (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG13)
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG23) 3.572 1.595 1.595 weight 1.000 ! spec=Expt_44, no=307, id=2325, vol=1.693819e+06
    or (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name   HB) 3.677 1.690 1.690 weight 1.000 ! spec=Expt_44, no=308, id=2326, vol=1.187217e+06
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   55 and name   HA) 2.805 0.983 0.983 weight 1.000 ! spec=Expt_44, no=309, id=2327, vol=3.258393e+06
assign (segid "   B" and resid   55 and name   HN) (segid "   B" and resid   56 and name   HN) 2.622 0.859 0.859 weight 1.000 ! spec=Expt_44, no=310, id=2328, vol=3.218950e+06
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   54 and name   HN) 5.120 3.276 3.276 weight 1.000 ! spec=Expt_44, no=311, id=2329, vol=2.788870e+05
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   54 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=Expt_44, no=315, id=2330, vol=1.654932e+06
assign (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   56 and name   HN) 2.518 0.793 0.793 weight 1.000 ! spec=Expt_44, no=316, id=2331, vol=5.554790e+06
assign (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   56 and name   HN) 2.495 0.778 0.778 weight 1.000 ! spec=Expt_44, no=317, id=2332, vol=6.381101e+06
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   54 and name  HB2) 3.471 1.506 1.506 weight 1.000 ! spec=Expt_44, no=318, id=2333, vol=1.003958e+06
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   57 and name  HB2) 3.527 1.555 1.555 weight 1.000 ! spec=Expt_44, no=328, id=2337, vol=3.456355e+06
assign (segid "   B" and resid   56 and name  HA1) (segid "   B" and resid   57 and name   HN) 2.524 0.797 0.797 weight 1.000 ! spec=Expt_44, no=330, id=2339, vol=5.851646e+06
assign (segid "   B" and resid   56 and name  HA2) (segid "   B" and resid   57 and name   HN) 2.477 0.767 0.767 weight 1.000 ! spec=Expt_44, no=331, id=2340, vol=5.982689e+06
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   57 and name   HA) 2.724 0.928 0.928 weight 1.000 ! spec=Expt_44, no=332, id=2341, vol=3.709914e+06
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   58 and name   HN) 2.390 0.714 0.714 weight 1.000 ! spec=Expt_44, no=335, id=2344, vol=5.230853e+06
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   58 and name   HN) 3.508 1.538 1.538 weight 1.000 ! spec=Expt_44, no=336, id=2345, vol=3.591012e+06
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   50 and name  HB1) 4.012 2.012 2.012 weight 1.000 ! spec=Expt_44, no=340, id=2347, vol=7.730183e+05
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   50 and name  HB2) 4.725 2.790 2.790 weight 1.000 ! spec=Expt_44, no=341, id=2348, vol=6.064952e+05
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   57 and name  HB2) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_44, no=343, id=2350, vol=4.199621e+06
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   58 and name  HD1) 2.489 0.775 0.775 weight 1.000 ! spec=Expt_44, no=353, id=2352, vol=6.501777e+06
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   58 and name   HN) 4.168 2.171 2.171 weight 1.000 ! spec=Expt_44, no=354, id=2353, vol=1.297097e+06
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name   HN) 2.416 0.729 0.729 weight 1.000 ! spec=Expt_44, no=358, id=2355, vol=4.265084e+06
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name   HN) 3.515 1.544 1.544 weight 1.000 ! spec=Expt_44, no=359, id=2356, vol=3.036686e+06
assign (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   59 and name   HN) 2.544 0.809 0.809 weight 1.000 ! spec=Expt_44, no=361, id=2357, vol=2.751058e+06
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   50 and name  HB2) 4.357 2.373 2.373 weight 1.000 ! spec=Expt_44, no=363, id=2359, vol=1.434913e+06
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   59 and name   HN) 3.900 1.902 1.902 weight 1.000 ! spec=Expt_44, no=366, id=2362, vol=2.124076e+06
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   59 and name   HN) 3.199 1.279 1.279 weight 1.000 ! spec=Expt_44, no=367, id=2363, vol=2.591154e+06
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   49 and name  HB2) 4.987 3.108 3.108 weight 1.000 ! spec=Expt_44, no=369, id=2365, vol=2.848773e+05
assign (segid "   B" and resid   58 and name   HA) (segid "   B" and resid   59 and name   HN) 2.167 0.587 0.587 weight 1.000 ! spec=Expt_44, no=372, id=2367, vol=9.553760e+06
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   50 and name   HA) 3.655 1.669 1.669 weight 1.000 ! spec=Expt_44, no=374, id=2368, vol=7.000219e+05
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   60 and name   HA) 4.404 2.425 2.425 weight 1.000 ! spec=Expt_44, no=375, id=2369, vol=4.001291e+05
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   48 and name   HA) 4.075 2.076 2.076 weight 1.000 ! spec=Expt_44, no=376, id=2370, vol=8.384056e+05
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   49 and name   HA) 4.377 2.395 2.395 weight 1.000 ! spec=Expt_44, no=377, id=2371, vol=4.318494e+05
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   58 and name  HE3) 3.457 1.494 1.494 weight 1.000 ! spec=Expt_44, no=380, id=2374, vol=1.631194e+06
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   50 and name   HN) 4.615 2.662 2.662 weight 1.000 ! spec=Expt_44, no=383, id=2376, vol=3.568468e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   59 and name   HN) 2.882 1.039 1.039 weight 1.000 ! spec=Expt_44, no=384, id=2377, vol=2.123812e+06
assign (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   60 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=Expt_44, no=386, id=2379, vol=2.829187e+06
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   60 and name   HN) 3.567 1.591 1.591 weight 1.000 ! spec=Expt_44, no=387, id=2380, vol=3.073415e+06
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   60 and name   HN) 2.430 0.738 0.738 weight 1.000 ! spec=Expt_44, no=388, id=2381, vol=5.240159e+06
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   58 and name  HB2) 4.831 2.917 2.917 weight 1.000 ! spec=Expt_44, no=392, id=2384, vol=3.314673e+05
assign (segid "   B" and resid   59 and name   HA) (segid "   B" and resid   60 and name   HN) 2.080 0.541 0.541 weight 1.000 ! spec=Expt_44, no=394, id=2386, vol=1.697176e+07
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   61 and name   HA) 4.241 2.248 2.248 weight 1.000 ! spec=Expt_44, no=395, id=2387, vol=3.825142e+05
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name   HN) 2.791 0.974 0.974 weight 1.000 ! spec=Expt_44, no=396, id=2388, vol=3.027990e+06
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   48 and name   HA) 4.142 2.145 2.145 weight 1.000 ! spec=Expt_44, no=397, id=2389, vol=6.771856e+05
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   49 and name  HZ3) 4.035 2.035 2.035 weight 1.000 ! spec=Expt_44, no=398, id=2390, vol=5.617688e+05
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   49 and name  HH2) 3.994 1.994 1.994 weight 1.000 ! spec=Expt_44, no=399, id=2391, vol=6.171199e+05
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   49 and name  HZ2) 4.570 2.611 2.611 weight 1.000 ! spec=Expt_44, no=400, id=2392, vol=6.282796e+05
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   60 and name   HN) 4.280 2.290 2.290 weight 1.000 ! spec=Expt_44, no=401, id=2393, vol=1.252630e+06
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   60 and name   HN) 4.793 2.872 2.872 weight 1.000 ! spec=Expt_44, no=402, id=2394, vol=4.360117e+05
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   61 and name   HN) 4.162 2.165 2.165 weight 1.000 ! spec=Expt_44, no=403, id=2395, vol=1.104649e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   62 and name   HN) 3.886 1.888 1.888 weight 1.000 ! spec=Expt_44, no=407, id=2397, vol=1.030534e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   49 and name  HH2) 3.578 1.600 1.600 weight 1.000 ! spec=Expt_44, no=410, id=2399, vol=1.601444e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   49 and name  HZ3) 2.877 1.035 1.035 weight 1.000 ! spec=Expt_44, no=411, id=2400, vol=2.852487e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   48 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=Expt_44, no=412, id=2401, vol=1.771750e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   62 and name   HA) 4.145 2.148 2.148 weight 1.000 ! spec=Expt_44, no=415, id=2403, vol=3.772545e+05
assign (segid "   B" and resid   61 and name   HA) (segid "   B" and resid   61 and name   HN) 2.793 0.975 0.975 weight 1.000 ! spec=Expt_44, no=417, id=2405, vol=2.757616e+06
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   48 and name  HG2) 3.862 1.865 1.865 weight 1.000 ! spec=Expt_44, no=423, id=2408, vol=1.083520e+06
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   61 and name   HN) 2.408 0.725 0.725 weight 1.000 ! spec=Expt_44, no=424, id=2409, vol=4.967397e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   61 and name   HN)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   61 and name   HN)
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   47 and name   HG) 4.579 2.621 2.621 weight 1.000 ! spec=Expt_44, no=425, id=2410, vol=6.480909e+05
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   46 and name HG21) 2.825 0.998 0.998 weight 1.000 ! spec=Expt_44, no=426, id=2411, vol=2.431670e+06
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   63 and name HD13) 3.744 1.752 1.752 weight 1.000 ! spec=Expt_44, no=427, id=2412, vol=8.898957e+05
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   63 and name   HN) 4.302 2.313 2.313 weight 1.000 ! spec=Expt_44, no=430, id=2414, vol=9.271613e+05
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   62 and name   HN) 4.554 2.592 2.592 weight 1.000 ! spec=Expt_44, no=432, id=2416, vol=3.443707e+05
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   49 and name  HH2) 5.189 3.366 3.366 weight 1.000 ! spec=Expt_44, no=433, id=2417, vol=3.857358e+05
assign (segid "   B" and resid   62 and name   HA) (segid "   B" and resid   62 and name   HN) 2.829 1.000 1.000 weight 1.000 ! spec=Expt_44, no=436, id=2419, vol=2.822892e+06
assign (segid "   B" and resid   61 and name   HA) (segid "   B" and resid   62 and name   HN) 2.039 0.520 0.520 weight 1.000 ! spec=Expt_44, no=437, id=2420, vol=1.657430e+07
assign (segid "   B" and resid   62 and name   HB) (segid "   B" and resid   62 and name   HN) 2.370 0.702 0.702 weight 1.000 ! spec=Expt_44, no=438, id=2421, vol=8.290610e+06
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   62 and name   HN) 2.833 1.003 1.003 weight 1.000 ! spec=Expt_44, no=443, id=2424, vol=8.415210e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   62 and name   HN)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   62 and name   HN)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   63 and name HD13) 3.632 1.649 1.649 weight 1.000 ! spec=Expt_44, no=446, id=2426, vol=7.939013e+05
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   46 and name HD12) 3.697 1.708 1.708 weight 1.000 ! spec=Expt_44, no=448, id=2428, vol=9.872300e+05
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   63 and name   HN) 2.458 0.755 0.755 weight 1.000 ! spec=Expt_44, no=449, id=2429, vol=4.146497e+06
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   63 and name   HN)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   63 and name   HN)
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   63 and name   HN) 3.514 1.543 1.543 weight 1.000 ! spec=Expt_44, no=451, id=2431, vol=6.607219e+05
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   63 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=Expt_44, no=452, id=2432, vol=2.847588e+06
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   45 and name  HB2) 4.805 2.886 2.886 weight 1.000 ! spec=Expt_44, no=453, id=2433, vol=7.125156e+05
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   45 and name  HB1) 3.728 1.738 1.738 weight 1.000 ! spec=Expt_44, no=454, id=2434, vol=8.211258e+05
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.806 2.887 2.887 weight 1.000 ! spec=Expt_44, no=456, id=2436, vol=6.349468e+05
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   63 and name   HN) 3.013 1.135 1.135 weight 1.000 ! spec=Expt_44, no=457, id=2437, vol=1.550331e+06
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   65 and name   HN) 2.975 1.106 1.106 weight 1.000 ! spec=Expt_44, no=458, id=2438, vol=4.598693e+06
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   65 and name   HN) 2.585 0.835 0.835 weight 1.000 ! spec=Expt_44, no=459, id=2439, vol=3.800214e+06
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   63 and name HG21) 4.519 2.553 2.553 weight 1.000 ! spec=Expt_44, no=461, id=2441, vol=4.570746e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name  HB2) 4.154 2.157 2.157 weight 1.000 ! spec=Expt_44, no=462, id=2442, vol=8.047283e+05
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   65 and name   HN) 3.476 1.511 1.511 weight 1.000 ! spec=Expt_44, no=463, id=2443, vol=1.775466e+06
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   65 and name   HN) 3.136 1.229 1.229 weight 1.000 ! spec=Expt_44, no=465, id=2445, vol=2.062584e+06
assign (segid "   B" and resid   44 and name   HA) (segid "   B" and resid   65 and name   HN) 2.809 0.987 0.987 weight 1.000 ! spec=Expt_44, no=467, id=2447, vol=3.822052e+06
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.712 2.775 2.775 weight 1.000 ! spec=Expt_44, no=468, id=2448, vol=6.832948e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   66 and name  HB1) (segid "   B" and resid   66 and name   HN) 3.153 1.243 1.243 weight 1.000 ! spec=Expt_44, no=471, id=2451, vol=2.468263e+06
assign (segid "   B" and resid   66 and name  HB2) (segid "   B" and resid   66 and name   HN) 2.929 1.072 1.072 weight 1.000 ! spec=Expt_44, no=472, id=2452, vol=2.221965e+06
assign (segid "   B" and resid   66 and name   HA) (segid "   B" and resid   66 and name   HN) 2.833 1.004 1.004 weight 1.000 ! spec=Expt_44, no=473, id=2453, vol=3.172577e+06
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   66 and name   HN) 3.048 1.161 1.161 weight 1.000 ! spec=Expt_44, no=474, id=2454, vol=1.298442e+06
assign (segid "   B" and resid   65 and name  HA1) (segid "   B" and resid   66 and name   HN) 3.576 1.599 1.599 weight 1.000 ! spec=Expt_44, no=475, id=2455, vol=1.268881e+06
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name   HG) 3.913 1.914 1.914 weight 1.000 ! spec=Expt_44, no=477, id=2457, vol=7.358518e+05
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   63 and name HG21) 4.536 2.572 2.572 weight 1.000 ! spec=Expt_44, no=478, id=2458, vol=4.658242e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name  HB1) 5.626 3.957 3.957 weight 1.000 ! spec=Expt_44, no=479, id=2459, vol=5.395650e+05
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name  HB2) 4.346 2.361 2.361 weight 1.000 ! spec=Expt_44, no=480, id=2460, vol=7.598049e+05
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   66 and name   HN) 3.813 1.818 1.818 weight 1.000 ! spec=Expt_44, no=483, id=2463, vol=1.029606e+06
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name   HA) 4.715 2.779 2.779 weight 1.000 ! spec=Expt_44, no=484, id=2464, vol=7.278360e+05
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   42 and name HG21) 4.575 2.617 2.617 weight 1.000 ! spec=Expt_44, no=485, id=2465, vol=2.511591e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HD1) 5.006 3.133 3.133 weight 1.000 ! spec=Expt_44, no=486, id=2466, vol=2.847186e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   66 and name  HB1) 4.066 2.067 2.067 weight 1.000 ! spec=Expt_44, no=488, id=2468, vol=7.303937e+05
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   66 and name  HB2) 4.041 2.041 2.041 weight 1.000 ! spec=Expt_44, no=489, id=2469, vol=8.096616e+05
assign (segid "   B" and resid   66 and name   HA) (segid "   B" and resid   67 and name   HN) 3.219 1.295 1.295 weight 1.000 ! spec=Expt_44, no=490, id=2470, vol=2.049857e+06
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name   HN) 2.410 0.726 0.726 weight 1.000 ! spec=Expt_44, no=492, id=2472, vol=2.732612e+06
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   67 and name   HN) 3.128 1.223 1.223 weight 1.000 ! spec=Expt_44, no=493, id=2473, vol=2.316205e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   67 and name   HN)
assign (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name   HN) 3.222 1.298 1.298 weight 1.000 ! spec=Expt_44, no=494, id=2474, vol=3.273932e+06
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   67 and name   HN) 2.348 0.689 0.689 weight 1.000 ! spec=Expt_44, no=495, id=2475, vol=4.184417e+06
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   64 and name  HB2) 3.313 1.372 1.372 weight 1.000 ! spec=Expt_44, no=496, id=2476, vol=1.172299e+06
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   64 and name  HB1) 5.549 3.848 3.848 weight 1.000 ! spec=Expt_44, no=498, id=2478, vol=4.515506e+05
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   65 and name  HA2) 4.246 2.254 2.254 weight 1.000 ! spec=Expt_44, no=499, id=2479, vol=6.919022e+05
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   65 and name  HA1) 4.923 3.029 3.029 weight 1.000 ! spec=Expt_44, no=500, id=2480, vol=9.510473e+05
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   67 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=Expt_44, no=501, id=2481, vol=3.116071e+06
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   69 and name   HN) 4.638 2.688 2.688 weight 1.000 ! spec=Expt_44, no=502, id=2482, vol=6.574908e+05
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.254 2.262 2.262 weight 1.000 ! spec=Expt_44, no=503, id=2483, vol=5.225146e+05
    or (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   45 and name  HE1) 3.734 1.743 1.743 weight 1.000 ! spec=Expt_44, no=504, id=2484, vol=1.024102e+06
    or (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   68 and name  HB1) (segid "   B" and resid   68 and name   HN) 3.851 1.854 1.854 weight 1.000 ! spec=Expt_44, no=509, id=2488, vol=1.687693e+06
assign (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   67 and name  HB2) 3.476 1.510 1.510 weight 1.000 ! spec=Expt_44, no=510, id=2489, vol=2.080678e+06
assign (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   67 and name  HB1) 2.597 0.843 0.843 weight 1.000 ! spec=Expt_44, no=511, id=2490, vol=2.969865e+06
assign (segid "   B" and resid   68 and name  HB2) (segid "   B" and resid   68 and name   HN) 3.087 1.191 1.191 weight 1.000 ! spec=Expt_44, no=512, id=2491, vol=1.256182e+06
assign (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   63 and name HG21) 4.285 2.295 2.295 weight 1.000 ! spec=Expt_44, no=513, id=2492, vol=1.248551e+06
    or (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   67 and name   HG) 4.199 2.204 2.204 weight 1.000 ! spec=Expt_44, no=514, id=2493, vol=1.350917e+06
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   69 and name   HN) 4.272 2.281 2.281 weight 1.000 ! spec=Expt_44, no=517, id=2496, vol=1.363391e+06
assign (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HG12) 3.750 1.758 1.758 weight 1.000 ! spec=Expt_44, no=518, id=2497, vol=8.557710e+05
assign (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HG21) 3.141 1.233 1.233 weight 1.000 ! spec=Expt_44, no=519, id=2498, vol=2.247825e+06
    or (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   69 and name   HN) 2.762 0.954 0.954 weight 1.000 ! spec=Expt_44, no=520, id=2499, vol=3.267923e+06
assign (segid "   B" and resid   67 and name  HB2) (segid "   B" and resid   69 and name   HN) 3.249 1.319 1.319 weight 1.000 ! spec=Expt_44, no=521, id=2500, vol=2.140878e+06
assign (segid "   B" and resid   68 and name  HB2) (segid "   B" and resid   69 and name   HN) 4.160 2.163 2.163 weight 1.000 ! spec=Expt_44, no=522, id=2501, vol=9.839171e+05
assign (segid "   B" and resid   68 and name  HB1) (segid "   B" and resid   69 and name   HN) 4.339 2.353 2.353 weight 1.000 ! spec=Expt_44, no=523, id=2502, vol=9.259135e+05
assign (segid "   B" and resid   69 and name  HB1) (segid "   B" and resid   69 and name   HN) 3.196 1.277 1.277 weight 1.000 ! spec=Expt_44, no=524, id=2503, vol=2.493061e+06
assign (segid "   B" and resid   68 and name   HA) (segid "   B" and resid   69 and name   HN) 2.891 1.045 1.045 weight 1.000 ! spec=Expt_44, no=525, id=2504, vol=2.973886e+06
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   69 and name   HN) 3.888 1.890 1.890 weight 1.000 ! spec=Expt_44, no=526, id=2505, vol=5.282670e+05
assign (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   70 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=Expt_44, no=529, id=2507, vol=1.243960e+06
assign (segid "   B" and resid   70 and name  HB1) (segid "   B" and resid   70 and name   HN) 3.390 1.437 1.437 weight 1.000 ! spec=Expt_44, no=530, id=2508, vol=1.300461e+06
assign (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   70 and name   HN) 2.357 0.694 0.694 weight 1.000 ! spec=Expt_44, no=533, id=2511, vol=5.226378e+06
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   26 and name   HA) 3.329 1.386 1.386 weight 1.000 ! spec=Expt_44, no=534, id=2512, vol=2.167586e+06
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   27 and name  HZ3) 3.002 1.127 1.127 weight 1.000 ! spec=Expt_44, no=535, id=2513, vol=2.691573e+06
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   27 and name  HE3) 4.377 2.394 2.394 weight 1.000 ! spec=Expt_44, no=536, id=2514, vol=6.597355e+05
assign (segid "   B" and resid   70 and name   HN) (segid "   B" and resid   70 and name  HD2) 4.535 2.571 2.571 weight 1.000 ! spec=Expt_44, no=537, id=2515, vol=8.228691e+05
    or (segid "   B" and resid   70 and name   HN) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   70 and name   HN) (segid "   B" and resid   71 and name   HN) 4.442 2.466 2.466 weight 1.000 ! spec=Expt_44, no=538, id=2516, vol=6.101606e+05
assign (segid "   B" and resid   71 and name HG21) (segid "   B" and resid   71 and name   HN) 3.405 1.450 1.450 weight 1.000 ! spec=Expt_44, no=539, id=2517, vol=3.118124e+06
    or (segid "   B" and resid   71 and name HG22) (segid "   B" and resid   71 and name   HN)
    or (segid "   B" and resid   71 and name HG23) (segid "   B" and resid   71 and name   HN)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HD13) 4.803 2.883 2.883 weight 1.000 ! spec=Expt_44, no=541, id=2519, vol=5.457069e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name HG12) 4.104 2.106 2.106 weight 1.000 ! spec=Expt_44, no=545, id=2523, vol=6.078535e+05
assign (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   71 and name   HN) 3.889 1.890 1.890 weight 1.000 ! spec=Expt_44, no=547, id=2524, vol=1.115148e+06
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   70 and name  HB1) 3.969 1.969 1.969 weight 1.000 ! spec=Expt_44, no=549, id=2526, vol=1.349228e+06
assign (segid "   B" and resid   71 and name   HB) (segid "   B" and resid   71 and name   HN) 2.455 0.753 0.753 weight 1.000 ! spec=Expt_44, no=550, id=2527, vol=6.304615e+06
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   69 and name  HB1) 4.891 2.991 2.991 weight 1.000 ! spec=Expt_44, no=551, id=2528, vol=3.355445e+05
assign (segid "   B" and resid   70 and name   HA) (segid "   B" and resid   71 and name   HN) 2.276 0.647 0.647 weight 1.000 ! spec=Expt_44, no=552, id=2529, vol=9.727474e+06
assign (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   24 and name   HA) 4.218 2.224 2.224 weight 1.000 ! spec=Expt_44, no=553, id=2530, vol=8.770721e+05
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   71 and name   HA) 2.830 1.001 1.001 weight 1.000 ! spec=Expt_44, no=554, id=2531, vol=2.798877e+06
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   70 and name  HD2) 3.443 1.482 1.482 weight 1.000 ! spec=Expt_44, no=556, id=2533, vol=2.268691e+06
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   70 and name  HE2) 4.023 2.023 2.023 weight 1.000 ! spec=Expt_44, no=557, id=2534, vol=8.432813e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name   HN) 3.902 1.903 1.903 weight 1.000 ! spec=Expt_44, no=558, id=2535, vol=9.017484e+05
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   25 and name   HN) 3.421 1.463 1.463 weight 1.000 ! spec=Expt_44, no=560, id=2537, vol=1.259573e+06
assign (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   73 and name   HN) 2.617 0.856 0.856 weight 1.000 ! spec=Expt_44, no=562, id=2539, vol=3.557815e+06
assign (segid "   B" and resid   73 and name  HB1) (segid "   B" and resid   73 and name   HN) 3.814 1.818 1.818 weight 1.000 ! spec=Expt_44, no=563, id=2540, vol=2.167162e+06
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   73 and name   HA) 2.935 1.077 1.077 weight 1.000 ! spec=Expt_44, no=565, id=2542, vol=1.992375e+06
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name   HN) 4.489 2.519 2.519 weight 1.000 ! spec=Expt_44, no=566, id=2543, vol=6.670478e+05
assign (segid "   B" and resid   72 and name   HA) (segid "   B" and resid   73 and name   HN) 2.279 0.649 0.649 weight 1.000 ! spec=Expt_44, no=567, id=2544, vol=7.722235e+06
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name   HB) 3.688 1.701 1.701 weight 1.000 ! spec=Expt_44, no=568, id=2545, vol=9.936177e+05
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   73 and name   HN) 2.632 0.866 0.866 weight 1.000 ! spec=Expt_44, no=570, id=2547, vol=2.972644e+06
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   73 and name   HN)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   73 and name   HN)
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   75 and name   HG) 3.931 1.932 1.932 weight 1.000 ! spec=Expt_44, no=571, id=2548, vol=4.743353e+05
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   71 and name HG21) 3.787 1.792 1.792 weight 1.000 ! spec=Expt_44, no=572, id=2549, vol=8.790861e+05
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   73 and name   HN) (segid "   A" and resid   22 and name   HA) 4.906 3.008 3.008 weight 1.000 ! spec=Expt_44, no=573, id=2550, vol=3.098710e+05
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   70 and name  HE2) 4.000 2.000 2.000 weight 1.000 ! spec=Expt_44, no=574, id=2551, vol=1.651856e+06
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   49 and name  HZ2) 3.760 1.767 1.767 weight 1.000 ! spec=Expt_44, no=577, id=2552, vol=5.864099e+05
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   74 and name  HA1) 4.632 2.681 2.681 weight 1.000 ! spec=Expt_44, no=579, id=2553, vol=2.169553e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name   HN) 2.333 0.680 0.680 weight 1.000 ! spec=Expt_44, no=580, id=2554, vol=2.840306e+06
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   74 and name   HN) 4.001 2.001 2.001 weight 1.000 ! spec=Expt_44, no=581, id=2555, vol=8.545674e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   22 and name   HA) 3.743 1.751 1.751 weight 1.000 ! spec=Expt_44, no=583, id=2556, vol=6.788259e+05
assign (segid "   B" and resid   73 and name   HA) (segid "   B" and resid   74 and name   HN) 2.264 0.641 0.641 weight 1.000 ! spec=Expt_44, no=584, id=2557, vol=4.862425e+06
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   21 and name   HB) 2.953 1.090 1.090 weight 1.000 ! spec=Expt_44, no=585, id=2558, vol=2.183467e+06
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name   HA) 5.107 3.260 3.260 weight 1.000 ! spec=Expt_44, no=586, id=2559, vol=4.411139e+05
assign (segid "   B" and resid   74 and name  HA1) (segid "   B" and resid   74 and name   HN) 2.788 0.972 0.972 weight 1.000 ! spec=Expt_44, no=587, id=2560, vol=4.902223e+06
assign (segid "   B" and resid   74 and name  HA2) (segid "   B" and resid   74 and name   HN) 2.412 0.727 0.727 weight 1.000 ! spec=Expt_44, no=588, id=2561, vol=5.403199e+06
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   22 and name  HB2) 4.448 2.473 2.473 weight 1.000 ! spec=Expt_44, no=589, id=2562, vol=8.345141e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   22 and name  HB1) 4.125 2.127 2.127 weight 1.000 ! spec=Expt_44, no=590, id=2563, vol=6.857707e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   73 and name  HB1) 2.862 1.024 1.024 weight 1.000 ! spec=Expt_44, no=592, id=2564, vol=3.671692e+06
assign (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   74 and name   HN) 3.345 1.398 1.398 weight 1.000 ! spec=Expt_44, no=593, id=2565, vol=3.856287e+06
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name   HG) 4.331 2.345 2.345 weight 1.000 ! spec=Expt_44, no=596, id=2567, vol=5.004895e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   72 and name HG22) 4.119 2.121 2.121 weight 1.000 ! spec=Expt_44, no=598, id=2569, vol=4.130029e+05
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   72 and name HG23)
assign (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name   HN) 2.738 0.937 0.937 weight 1.000 ! spec=Expt_44, no=600, id=2571, vol=1.811346e+06
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   72 and name HG22) 3.725 1.734 1.734 weight 1.000 ! spec=Expt_44, no=601, id=2572, vol=8.072130e+05
    or (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   72 and name HG23)
assign (segid "   A" and resid   21 and name HG22) (segid "   B" and resid   75 and name   HN) 2.974 1.105 1.105 weight 1.000 ! spec=Expt_44, no=602, id=2573, vol=4.905964e+06
    or (segid "   A" and resid   21 and name HG23) (segid "   B" and resid   75 and name   HN)
    or (segid "   A" and resid   21 and name HG21) (segid "   B" and resid   75 and name   HN)
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   73 and name  HB1) 5.615 3.942 3.942 weight 1.000 ! spec=Expt_44, no=604, id=2574, vol=4.131991e+05
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   74 and name  HA2) 3.477 1.511 1.511 weight 1.000 ! spec=Expt_44, no=605, id=2575, vol=1.463080e+06
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   74 and name  HA1) 3.864 1.866 1.866 weight 1.000 ! spec=Expt_44, no=606, id=2576, vol=1.221569e+06
assign (segid "   B" and resid   75 and name   HA) (segid "   B" and resid   75 and name   HN) 2.864 1.025 1.025 weight 1.000 ! spec=Expt_44, no=607, id=2577, vol=1.803995e+06
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   73 and name   HA) 4.466 2.493 2.493 weight 1.000 ! spec=Expt_44, no=610, id=2579, vol=1.044781e+06
assign (segid "   B" and resid   75 and name   HN) (segid "   A" and resid   22 and name   HA) 4.200 2.205 2.205 weight 1.000 ! spec=Expt_44, no=611, id=2580, vol=3.957604e+05
assign (segid "   B" and resid   75 and name   HN) (segid "   B" and resid   76 and name   HN) 4.006 2.006 2.006 weight 1.000 ! spec=Expt_44, no=616, id=2583, vol=7.932935e+05
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   79 and name   HN) 5.120 3.276 3.276 weight 1.000 ! spec=Expt_44, no=617, id=2584, vol=1.755925e+05
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   81 and name  HD1) 3.640 1.656 1.656 weight 1.000 ! spec=Expt_44, no=618, id=2585, vol=2.004360e+06
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   81 and name  HE1) 4.238 2.245 2.245 weight 1.000 ! spec=Expt_44, no=619, id=2586, vol=6.031628e+05
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   81 and name  HE2)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=Expt_44, no=620, id=2587, vol=2.214186e+06
assign (segid "   B" and resid   75 and name   HA) (segid "   B" and resid   76 and name   HN) 2.240 0.627 0.627 weight 1.000 ! spec=Expt_44, no=622, id=2589, vol=5.233635e+06
assign (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   76 and name   HN) 3.276 1.342 1.342 weight 1.000 ! spec=Expt_44, no=626, id=2591, vol=9.641734e+05
assign (segid "   B" and resid   76 and name  HB2) (segid "   B" and resid   76 and name   HN) 2.397 0.718 0.718 weight 1.000 ! spec=Expt_44, no=627, id=2592, vol=2.889243e+06
assign (segid "   B" and resid   76 and name  HB1) (segid "   B" and resid   76 and name   HN) 3.206 1.285 1.285 weight 1.000 ! spec=Expt_44, no=628, id=2593, vol=3.610461e+06
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name   HN) 2.790 0.973 0.973 weight 1.000 ! spec=Expt_44, no=629, id=2594, vol=1.931419e+06
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name   HN) 2.895 1.048 1.048 weight 1.000 ! spec=Expt_44, no=630, id=2595, vol=1.674769e+06
assign (segid "   B" and resid   76 and name   HN) (segid "   A" and resid   21 and name HG22) 3.191 1.273 1.273 weight 1.000 ! spec=Expt_44, no=632, id=2597, vol=2.024697e+06
    or (segid "   B" and resid   76 and name   HN) (segid "   A" and resid   21 and name HG23)
    or (segid "   B" and resid   76 and name   HN) (segid "   A" and resid   21 and name HG21)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   79 and name HG21) 3.799 1.804 1.804 weight 1.000 ! spec=Expt_44, no=634, id=2598, vol=1.165306e+06
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   75 and name   HG) 4.224 2.230 2.230 weight 1.000 ! spec=Expt_44, no=635, id=2599, vol=1.237926e+06
assign (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   76 and name   HN) 3.466 1.502 1.502 weight 1.000 ! spec=Expt_44, no=637, id=2601, vol=2.537357e+06
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   76 and name   HN)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   76 and name   HN)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   79 and name   HN) 3.599 1.619 1.619 weight 1.000 ! spec=Expt_44, no=638, id=2602, vol=1.901154e+06
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   79 and name   HN)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   79 and name   HN)
assign (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   79 and name   HN) 2.607 0.849 0.849 weight 1.000 ! spec=Expt_44, no=639, id=2603, vol=4.525179e+06
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   79 and name   HN)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   79 and name   HN)
assign (segid "   B" and resid   79 and name   HB) (segid "   B" and resid   79 and name   HN) 2.574 0.828 0.828 weight 1.000 ! spec=Expt_44, no=640, id=2604, vol=3.955554e+06
assign (segid "   B" and resid   79 and name   HA) (segid "   B" and resid   79 and name   HN) 2.986 1.115 1.115 weight 1.000 ! spec=Expt_44, no=641, id=2605, vol=2.202572e+06
assign (segid "   B" and resid   78 and name  HA1) (segid "   B" and resid   79 and name   HN) 3.585 1.607 1.607 weight 1.000 ! spec=Expt_44, no=642, id=2606, vol=1.278706e+06
assign (segid "   B" and resid   78 and name  HA2) (segid "   B" and resid   79 and name   HN) 3.437 1.477 1.477 weight 1.000 ! spec=Expt_44, no=643, id=2607, vol=1.476542e+06
assign (segid "   B" and resid   79 and name   HN) (segid "   B" and resid   76 and name  HB2) 3.882 1.883 1.883 weight 1.000 ! spec=Expt_44, no=651, id=2608, vol=7.681214e+05
assign (segid "   B" and resid   79 and name   HN) (segid "   B" and resid   76 and name  HB1) 4.123 2.125 2.125 weight 1.000 ! spec=Expt_44, no=652, id=2609, vol=6.537782e+05
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name   HN) 3.069 1.177 1.177 weight 1.000 ! spec=Expt_44, no=656, id=2611, vol=2.801295e+06
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name   HN) 3.309 1.368 1.368 weight 1.000 ! spec=Expt_44, no=657, id=2612, vol=1.100469e+06
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   79 and name HG12) 4.502 2.534 2.534 weight 1.000 ! spec=Expt_44, no=660, id=2614, vol=2.507123e+05
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   52 and name   HA) 5.255 3.452 3.452 weight 1.000 ! spec=Expt_44, no=662, id=2616, vol=3.778353e+05
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   81 and name   HA) 3.656 1.671 1.671 weight 1.000 ! spec=Expt_44, no=665, id=2618, vol=5.948972e+05
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   82 and name   HA) 4.021 2.021 2.021 weight 1.000 ! spec=Expt_44, no=667, id=2619, vol=5.138685e+05
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   81 and name  HD1) 4.973 3.092 3.092 weight 1.000 ! spec=Expt_44, no=669, id=2621, vol=3.438082e+05
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   82 and name   HN) 3.064 1.173 1.173 weight 1.000 ! spec=Expt_44, no=672, id=2623, vol=2.014814e+06
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   79 and name HG12) 4.430 2.453 2.453 weight 1.000 ! spec=Expt_44, no=674, id=2625, vol=4.772389e+05
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   52 and name  HB1) 3.839 1.843 1.843 weight 1.000 ! spec=Expt_44, no=676, id=2627, vol=1.192226e+06
assign (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   82 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=Expt_44, no=677, id=2628, vol=3.085257e+06
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   82 and name   HN) 2.736 0.936 0.936 weight 1.000 ! spec=Expt_44, no=678, id=2629, vol=3.197948e+06
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   82 and name   HN) 3.309 1.369 1.369 weight 1.000 ! spec=Expt_44, no=679, id=2630, vol=1.499223e+06
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   49 and name  HB2) 5.400 3.645 3.645 weight 1.000 ! spec=Expt_44, no=681, id=2632, vol=2.836458e+05
assign (segid "   B" and resid   81 and name   HA) (segid "   B" and resid   82 and name   HN) 2.503 0.783 0.783 weight 1.000 ! spec=Expt_44, no=685, id=2635, vol=4.444890e+06
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   49 and name   HA) 4.146 2.149 2.149 weight 1.000 ! spec=Expt_44, no=690, id=2638, vol=6.810161e+05
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   82 and name   HN) 5.542 3.839 3.839 weight 1.000 ! spec=Expt_44, no=693, id=2640, vol=2.804035e+05
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   81 and name   HN) 4.762 2.834 2.834 weight 1.000 ! spec=Expt_44, no=695, id=2642, vol=4.599028e+05
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   84 and name   HN) 4.729 2.796 2.796 weight 1.000 ! spec=Expt_44, no=698, id=2643, vol=7.272058e+05
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid  101 and name   HN) 4.289 2.300 2.300 weight 1.000 ! spec=Expt_44, no=699, id=2644, vol=9.762896e+05
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   58 and name  HZ3) 4.327 2.341 2.341 weight 1.000 ! spec=Expt_44, no=701, id=2646, vol=6.016971e+05
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   49 and name   HA) 5.003 3.129 3.129 weight 1.000 ! spec=Expt_44, no=703, id=2647, vol=4.617431e+05
assign (segid "   B" and resid   83 and name  HA2) (segid "   B" and resid   83 and name   HN) 2.812 0.988 0.988 weight 1.000 ! spec=Expt_44, no=704, id=2648, vol=2.248016e+06
assign (segid "   B" and resid   83 and name  HA1) (segid "   B" and resid   83 and name   HN) 3.308 1.368 1.368 weight 1.000 ! spec=Expt_44, no=707, id=2650, vol=1.823451e+06
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   49 and name  HB1) 5.069 3.212 3.212 weight 1.000 ! spec=Expt_44, no=708, id=2651, vol=2.694895e+05
assign (segid "   B" and resid   82 and name  HB2) (segid "   B" and resid   83 and name   HN) 3.793 1.798 1.798 weight 1.000 ! spec=Expt_44, no=709, id=2652, vol=1.532807e+06
assign (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   83 and name   HN) 4.388 2.407 2.407 weight 1.000 ! spec=Expt_44, no=710, id=2653, vol=1.105256e+06
assign (segid "   B" and resid   83 and name  HA1) (segid "   B" and resid   84 and name   HN) 2.563 0.821 0.821 weight 1.000 ! spec=Expt_44, no=716, id=2658, vol=3.509810e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   84 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=Expt_44, no=717, id=2659, vol=1.934114e+06
assign (segid "   B" and resid   83 and name  HA2) (segid "   B" and resid   84 and name   HN) 2.825 0.998 0.998 weight 1.000 ! spec=Expt_44, no=718, id=2660, vol=4.153447e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   58 and name  HE3) 4.446 2.471 2.471 weight 1.000 ! spec=Expt_44, no=722, id=2663, vol=5.403433e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   58 and name  HZ3) 3.580 1.602 1.602 weight 1.000 ! spec=Expt_44, no=724, id=2664, vol=1.627890e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   99 and name  HE2) 3.720 1.730 1.730 weight 1.000 ! spec=Expt_44, no=725, id=2665, vol=1.137324e+06
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   84 and name HE22) 3.986 1.986 1.986 weight 1.000 ! spec=Expt_44, no=726, id=2666, vol=8.684693e+05
assign (segid "   B" and resid   49 and name   HA) (segid "   B" and resid   84 and name   HN) 3.837 1.840 1.840 weight 1.000 ! spec=Expt_44, no=727, id=2667, vol=1.609034e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   48 and name   HA) 4.469 2.497 2.497 weight 1.000 ! spec=Expt_44, no=728, id=2668, vol=4.515286e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name   HA) 4.073 2.074 2.074 weight 1.000 ! spec=Expt_44, no=729, id=2669, vol=9.238482e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   49 and name  HB1) 5.221 3.408 3.408 weight 1.000 ! spec=Expt_44, no=730, id=2670, vol=5.620199e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   49 and name  HB2) 4.258 2.267 2.267 weight 1.000 ! spec=Expt_44, no=731, id=2671, vol=5.306581e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   48 and name  HD1) 4.835 2.923 2.923 weight 1.000 ! spec=Expt_44, no=732, id=2672, vol=3.809825e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   48 and name  HB2) 4.140 2.143 2.143 weight 1.000 ! spec=Expt_44, no=733, id=2673, vol=1.103041e+06
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   84 and name   HN) 4.099 2.100 2.100 weight 1.000 ! spec=Expt_44, no=734, id=2674, vol=8.566672e+05
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   48 and name  HB1) 3.212 1.290 1.290 weight 1.000 ! spec=Expt_44, no=735, id=2675, vol=1.399947e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   86 and name HD11) 4.128 2.130 2.130 weight 1.000 ! spec=Expt_44, no=738, id=2677, vol=5.040856e+05
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   86 and name HD13)
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   85 and name HD21) 4.431 2.454 2.454 weight 1.000 ! spec=Expt_44, no=740, id=2678, vol=3.408530e+05
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   85 and name   HN) 3.283 1.347 1.347 weight 1.000 ! spec=Expt_44, no=743, id=2680, vol=1.081774e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   85 and name   HN)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   85 and name   HN)
assign (segid "   B" and resid   85 and name  HB2) (segid "   B" and resid   85 and name   HN) 2.763 0.955 0.955 weight 1.000 ! spec=Expt_44, no=744, id=2681, vol=2.578119e+06
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   85 and name   HN) 3.808 1.813 1.813 weight 1.000 ! spec=Expt_44, no=745, id=2682, vol=1.185173e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   85 and name   HN)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   85 and name   HN)
assign (segid "   B" and resid   85 and name  HB1) (segid "   B" and resid   85 and name   HN) 2.937 1.078 1.078 weight 1.000 ! spec=Expt_44, no=747, id=2684, vol=1.995929e+06
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   97 and name   HB) 3.770 1.777 1.777 weight 1.000 ! spec=Expt_44, no=749, id=2686, vol=8.550011e+05
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name   HA) 2.323 0.674 0.674 weight 1.000 ! spec=Expt_44, no=751, id=2688, vol=5.624951e+06
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   98 and name   HA) 3.704 1.715 1.715 weight 1.000 ! spec=Expt_44, no=752, id=2689, vol=1.509994e+06
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   99 and name  HE2) 3.902 1.904 1.904 weight 1.000 ! spec=Expt_44, no=753, id=2690, vol=1.291800e+06
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   99 and name  HD2) 4.378 2.396 2.396 weight 1.000 ! spec=Expt_44, no=754, id=2691, vol=7.299626e+05
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   99 and name   HN) 5.178 3.352 3.352 weight 1.000 ! spec=Expt_44, no=755, id=2692, vol=5.178535e+05
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   98 and name   HN) 3.628 1.645 1.645 weight 1.000 ! spec=Expt_44, no=756, id=2693, vol=1.543220e+06
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   86 and name   HN) 4.313 2.325 2.325 weight 1.000 ! spec=Expt_44, no=758, id=2695, vol=4.396332e+05
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   86 and name   HA) 3.111 1.210 1.210 weight 1.000 ! spec=Expt_44, no=764, id=2700, vol=1.128619e+06
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   96 and name   HA) 4.672 2.729 2.729 weight 1.000 ! spec=Expt_44, no=765, id=2701, vol=3.061532e+05
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   85 and name   HG) 4.875 2.970 2.970 weight 1.000 ! spec=Expt_44, no=767, id=2703, vol=3.915560e+05
assign (segid "   B" and resid   86 and name HD11) (segid "   B" and resid   86 and name   HN) 2.698 0.910 0.910 weight 1.000 ! spec=Expt_44, no=768, id=2704, vol=1.976443e+06
    or (segid "   B" and resid   86 and name HD12) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   86 and name HD13) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   86 and name   HN) 2.978 1.108 1.108 weight 1.000 ! spec=Expt_44, no=769, id=2705, vol=1.864412e+06
assign (segid "   B" and resid   86 and name HG12) (segid "   B" and resid   86 and name   HN) 3.106 1.206 1.206 weight 1.000 ! spec=Expt_44, no=770, id=2706, vol=1.076513e+06
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   86 and name   HN) 3.298 1.359 1.359 weight 1.000 ! spec=Expt_44, no=771, id=2707, vol=8.051007e+05
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   85 and name  HB1) 4.500 2.531 2.531 weight 1.000 ! spec=Expt_44, no=772, id=2708, vol=8.704854e+05
assign (segid "   B" and resid   86 and name   HB) (segid "   B" and resid   86 and name   HN) 2.866 1.027 1.027 weight 1.000 ! spec=Expt_44, no=773, id=2709, vol=1.727293e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   96 and name   HA) 3.687 1.699 1.699 weight 1.000 ! spec=Expt_44, no=774, id=2710, vol=1.853595e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   95 and name   HN) 2.831 1.002 1.002 weight 1.000 ! spec=Expt_44, no=775, id=2711, vol=2.165023e+06
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   87 and name   HN) 4.340 2.355 2.355 weight 1.000 ! spec=Expt_44, no=776, id=2712, vol=5.164071e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   96 and name   HN) 4.805 2.886 2.886 weight 1.000 ! spec=Expt_44, no=778, id=2713, vol=3.304262e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   45 and name  HD1) 5.266 3.467 3.467 weight 1.000 ! spec=Expt_44, no=779, id=2714, vol=3.997654e+05
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   45 and name   HA) 4.945 3.057 3.057 weight 1.000 ! spec=Expt_44, no=780, id=2715, vol=3.407952e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   94 and name   HA) 4.186 2.190 2.190 weight 1.000 ! spec=Expt_44, no=781, id=2716, vol=7.738464e+05
assign (segid "   B" and resid   86 and name   HA) (segid "   B" and resid   87 and name   HN) 2.294 0.658 0.658 weight 1.000 ! spec=Expt_44, no=782, id=2717, vol=5.904942e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   87 and name   HA) 2.991 1.118 1.118 weight 1.000 ! spec=Expt_44, no=783, id=2718, vol=1.743662e+06
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   87 and name   HN) 2.895 1.048 1.048 weight 1.000 ! spec=Expt_44, no=784, id=2719, vol=2.561618e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   45 and name  HB2) 4.845 2.935 2.935 weight 1.000 ! spec=Expt_44, no=785, id=2720, vol=2.952955e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   95 and name  HB2) 4.354 2.370 2.370 weight 1.000 ! spec=Expt_44, no=787, id=2722, vol=9.238613e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   95 and name  HB1) 3.298 1.359 1.359 weight 1.000 ! spec=Expt_44, no=789, id=2723, vol=1.312975e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   94 and name  HB1) 3.959 1.960 1.960 weight 1.000 ! spec=Expt_44, no=790, id=2724, vol=6.888108e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   46 and name   HB) 4.754 2.825 2.825 weight 1.000 ! spec=Expt_44, no=791, id=2725, vol=3.390746e+05
assign (segid "   B" and resid   86 and name HG12) (segid "   B" and resid   87 and name   HN) 4.785 2.862 2.862 weight 1.000 ! spec=Expt_44, no=792, id=2726, vol=8.887363e+05
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   88 and name HG12) 4.165 2.168 2.168 weight 1.000 ! spec=Expt_44, no=793, id=2727, vol=3.390607e+05
assign (segid "   B" and resid   86 and name HG11) (segid "   B" and resid   87 and name   HN) 4.276 2.286 2.286 weight 1.000 ! spec=Expt_44, no=794, id=2728, vol=1.145354e+06
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   96 and name HG22) 3.681 1.694 1.694 weight 1.000 ! spec=Expt_44, no=795, id=2729, vol=1.204922e+06
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   96 and name HG21)
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   96 and name HG23)
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   42 and name HG21) 5.562 3.867 3.867 weight 1.000 ! spec=Expt_44, no=797, id=2731, vol=2.471565e+05
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   85 and name HD13) 4.127 2.129 2.129 weight 1.000 ! spec=Expt_44, no=798, id=2732, vol=2.373416e+05
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name   HA) 2.946 1.085 1.085 weight 1.000 ! spec=Expt_44, no=801, id=2735, vol=1.694887e+06
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   87 and name   HA) 2.335 0.682 0.682 weight 1.000 ! spec=Expt_44, no=802, id=2736, vol=5.397379e+06
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   87 and name   HN) 4.618 2.666 2.666 weight 1.000 ! spec=Expt_44, no=804, id=2738, vol=4.969396e+05
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   88 and name   HN) 4.281 2.291 2.291 weight 1.000 ! spec=Expt_44, no=805, id=2739, vol=3.151746e+05
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.842 2.930 2.930 weight 1.000 ! spec=Expt_44, no=807, id=2741, vol=4.739074e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   45 and name  HD1) 4.307 2.319 2.319 weight 1.000 ! spec=Expt_44, no=808, id=2742, vol=9.975206e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   94 and name   HA) 4.940 3.051 3.051 weight 1.000 ! spec=Expt_44, no=809, id=2743, vol=2.010989e+05
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   88 and name   HB) 2.566 0.823 0.823 weight 1.000 ! spec=Expt_44, no=813, id=2746, vol=3.191300e+06
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   88 and name   HN) 2.780 0.966 0.966 weight 1.000 ! spec=Expt_44, no=815, id=2748, vol=1.463746e+06
assign (segid "   B" and resid   88 and name HG11) (segid "   B" and resid   88 and name   HN) 4.028 2.028 2.028 weight 1.000 ! spec=Expt_44, no=816, id=2749, vol=1.466733e+06
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   88 and name   HN) 3.513 1.543 1.543 weight 1.000 ! spec=Expt_44, no=818, id=2751, vol=1.881932e+06
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   88 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   88 and name   HN)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   88 and name   HN) 3.413 1.456 1.456 weight 1.000 ! spec=Expt_44, no=819, id=2752, vol=1.910102e+06
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   88 and name   HN)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   88 and name   HN)
assign (segid "   B" and resid   42 and name HG21) (segid "   B" and resid   88 and name   HN) 2.678 0.897 0.897 weight 1.000 ! spec=Expt_44, no=820, id=2753, vol=2.138971e+06
    or (segid "   B" and resid   42 and name HG22) (segid "   B" and resid   88 and name   HN)
    or (segid "   B" and resid   42 and name HG23) (segid "   B" and resid   88 and name   HN)
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   94 and name   HA) 3.215 1.292 1.292 weight 1.000 ! spec=Expt_44, no=824, id=2757, vol=1.547210e+06
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   89 and name   HN) 3.680 1.693 1.693 weight 1.000 ! spec=Expt_44, no=826, id=2759, vol=1.323796e+06
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   89 and name HE22) 5.075 3.219 3.219 weight 1.000 ! spec=Expt_44, no=827, id=2760, vol=2.612828e+05
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   89 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=Expt_44, no=828, id=2761, vol=2.710783e+06
assign (segid "   B" and resid   88 and name   HA) (segid "   B" and resid   89 and name   HN) 2.170 0.588 0.588 weight 1.000 ! spec=Expt_44, no=829, id=2762, vol=8.545542e+06
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   42 and name   HA) 4.678 2.735 2.735 weight 1.000 ! spec=Expt_44, no=830, id=2763, vol=5.221016e+05
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   90 and name   HA) 4.971 3.088 3.088 weight 1.000 ! spec=Expt_44, no=831, id=2764, vol=2.399162e+05
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   92 and name  HA1) 5.595 3.914 3.914 weight 1.000 ! spec=Expt_44, no=833, id=2766, vol=2.314161e+05
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   93 and name  HB2) 4.809 2.890 2.890 weight 1.000 ! spec=Expt_44, no=834, id=2767, vol=6.371739e+05
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   93 and name  HB1) 4.001 2.001 2.001 weight 1.000 ! spec=Expt_44, no=835, id=2768, vol=6.988638e+05
assign (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   89 and name   HN) 2.496 0.779 0.779 weight 1.000 ! spec=Expt_44, no=836, id=2769, vol=3.394439e+06
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name   HN) 2.610 0.851 0.851 weight 1.000 ! spec=Expt_44, no=837, id=2770, vol=2.578009e+06
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   89 and name   HN) 3.587 1.608 1.608 weight 1.000 ! spec=Expt_44, no=838, id=2771, vol=2.721166e+06
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   94 and name  HG1) 4.444 2.468 2.468 weight 1.000 ! spec=Expt_44, no=839, id=2772, vol=7.568694e+05
assign (segid "   B" and resid   89 and name  HB1) (segid "   B" and resid   89 and name   HN) 3.402 1.447 1.447 weight 1.000 ! spec=Expt_44, no=840, id=2773, vol=3.656987e+06
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   89 and name   HN) 3.505 1.535 1.535 weight 1.000 ! spec=Expt_44, no=841, id=2774, vol=1.724693e+06
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   89 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_44, no=844, id=2775, vol=4.060450e+06
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   89 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   89 and name   HN)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   89 and name   HN) 3.904 1.905 1.905 weight 1.000 ! spec=Expt_44, no=845, id=2776, vol=1.703937e+06
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   89 and name   HN)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   89 and name   HN)
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   42 and name HG21) 4.636 2.687 2.687 weight 1.000 ! spec=Expt_44, no=846, id=2777, vol=3.370381e+05
    or (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   49 and name  HZ2) 2.596 0.842 0.842 weight 1.000 ! spec=Expt_44, no=847, id=2778, vol=5.370973e+06
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HB1) 4.583 2.626 2.626 weight 1.000 ! spec=Expt_44, no=849, id=2780, vol=6.632868e+05
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HB2) 4.921 3.027 3.027 weight 1.000 ! spec=Expt_44, no=850, id=2781, vol=4.481901e+05
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   58 and name  HE1) 4.405 2.425 2.425 weight 1.000 ! spec=Expt_44, no=853, id=2783, vol=1.413643e+06
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   57 and name  HB2) 5.587 3.902 3.902 weight 1.000 ! spec=Expt_44, no=858, id=2785, vol=3.221928e+05
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   44 and name   HA) 4.592 2.636 2.636 weight 1.000 ! spec=Expt_44, no=868, id=2788, vol=5.695314e+05
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   45 and name   HA) 4.620 2.668 2.668 weight 1.000 ! spec=Expt_44, no=869, id=2789, vol=3.552267e+05
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   43 and name   HA) 4.294 2.305 2.305 weight 1.000 ! spec=Expt_44, no=875, id=2794, vol=7.207570e+05
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name   HG) 5.706 4.069 4.069 weight 1.000 ! spec=Expt_44, no=877, id=2796, vol=2.720811e+05
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name  HB1) 3.306 1.366 1.366 weight 1.000 ! spec=Expt_44, no=880, id=2799, vol=1.542338e+06
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name   HN) 4.160 2.163 2.163 weight 1.000 ! spec=Expt_44, no=881, id=2800, vol=7.882857e+05
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name   HN) 3.894 1.896 1.896 weight 1.000 ! spec=Expt_44, no=886, id=2802, vol=1.133420e+06
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   49 and name  HD1) 2.383 0.710 0.710 weight 1.000 ! spec=Expt_44, no=889, id=2803, vol=8.171101e+06
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   75 and name   HA) 3.954 1.954 1.954 weight 1.000 ! spec=Expt_44, no=892, id=2804, vol=5.008310e+05
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   49 and name  HB1) 4.689 2.748 2.748 weight 1.000 ! spec=Expt_44, no=894, id=2806, vol=4.769428e+05
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name   HA) 4.880 2.977 2.977 weight 1.000 ! spec=Expt_44, no=895, id=2807, vol=2.547995e+05
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   49 and name  HB2) 4.881 2.978 2.978 weight 1.000 ! spec=Expt_44, no=896, id=2808, vol=3.961948e+05
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   49 and name  HE1) 4.669 2.725 2.725 weight 1.000 ! spec=Expt_44, no=899, id=2811, vol=1.502104e+06
assign (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   49 and name  HE1) 4.283 2.293 2.293 weight 1.000 ! spec=Expt_44, no=900, id=2812, vol=1.563659e+06
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name   HB) 4.198 2.203 2.203 weight 1.000 ! spec=Expt_44, no=901, id=2813, vol=4.141712e+05
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   49 and name  HE1) 4.459 2.485 2.485 weight 1.000 ! spec=Expt_44, no=903, id=2814, vol=1.162519e+06
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   75 and name   HG) 3.650 1.665 1.665 weight 1.000 ! spec=Expt_44, no=904, id=2815, vol=6.525771e+05
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   49 and name  HE1) 3.834 1.837 1.837 weight 1.000 ! spec=Expt_44, no=905, id=2816, vol=1.207280e+06
assign (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   49 and name  HE1) 2.491 0.776 0.776 weight 1.000 ! spec=Expt_44, no=906, id=2817, vol=4.066378e+06
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   49 and name  HE1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   49 and name  HE1)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   49 and name  HE1) 2.549 0.812 0.812 weight 1.000 ! spec=Expt_44, no=907, id=2818, vol=3.048099e+06
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   49 and name  HE1)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   49 and name  HE1)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   72 and name   HN) 3.712 1.722 1.722 weight 1.000 ! spec=Expt_44, no=910, id=2820, vol=1.415680e+06
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   72 and name   HN)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   72 and name   HN)
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   23 and name HD11) 4.002 2.002 2.002 weight 1.000 ! spec=Expt_44, no=912, id=2822, vol=8.952110e+05
    or (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   23 and name HD13)
    or (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   23 and name HD12)
assign (segid "   A" and resid   23 and name HG12) (segid "   B" and resid   72 and name   HN) 3.208 1.286 1.286 weight 1.000 ! spec=Expt_44, no=914, id=2823, vol=6.009571e+05
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   25 and name HG12) 3.125 1.221 1.221 weight 1.000 ! spec=Expt_44, no=915, id=2824, vol=1.978682e+06
    or (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   25 and name HG13)
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   23 and name   HB) 4.722 2.787 2.787 weight 1.000 ! spec=Expt_44, no=916, id=2825, vol=3.806777e+05
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   25 and name   HB) 4.827 2.913 2.913 weight 1.000 ! spec=Expt_44, no=918, id=2827, vol=2.394071e+05
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   24 and name   HA) 3.287 1.350 1.350 weight 1.000 ! spec=Expt_44, no=920, id=2828, vol=2.255648e+06
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   22 and name   HA) 4.502 2.533 2.533 weight 1.000 ! spec=Expt_44, no=922, id=2830, vol=5.233265e+05
assign (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   70 and name  HE2) 4.222 2.228 2.228 weight 1.000 ! spec=Expt_44, no=923, id=2831, vol=8.783351e+05
    or (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   70 and name  HD2) 4.045 2.045 2.045 weight 1.000 ! spec=Expt_44, no=924, id=2832, vol=9.208886e+05
    or (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   98 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=Expt_44, no=929, id=2836, vol=2.373606e+06
assign (segid "   B" and resid   98 and name  HB1) (segid "   B" and resid   98 and name   HN) 2.600 0.845 0.845 weight 1.000 ! spec=Expt_44, no=930, id=2837, vol=3.288125e+06
assign (segid "   B" and resid   98 and name  HG1) (segid "   B" and resid   98 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=Expt_44, no=931, id=2838, vol=2.481072e+06
assign (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   98 and name   HN) 2.876 1.034 1.034 weight 1.000 ! spec=Expt_44, no=932, id=2839, vol=1.606397e+06
assign (segid "   B" and resid   98 and name   HN) (segid "   B" and resid   97 and name   HB) 4.154 2.157 2.157 weight 1.000 ! spec=Expt_44, no=935, id=2842, vol=7.210860e+05
assign (segid "   B" and resid   98 and name   HN) (segid "   B" and resid   99 and name  HD2) 5.247 3.441 3.441 weight 1.000 ! spec=Expt_44, no=937, id=2844, vol=3.175809e+05
    or (segid "   B" and resid   98 and name   HN) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   89 and name HE21) 5.402 3.648 3.648 weight 1.000 ! spec=Expt_44, no=940, id=2846, vol=2.193190e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name  HB2) 3.359 1.411 1.411 weight 1.000 ! spec=Expt_44, no=941, id=2847, vol=7.393347e+05
    or (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name  HB1)
    or (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name  HB3)
assign (segid "   B" and resid   96 and name HG22) (segid "   B" and resid   96 and name   HN) 2.635 0.868 0.868 weight 1.000 ! spec=Expt_44, no=943, id=2849, vol=3.465183e+06
    or (segid "   B" and resid   96 and name HG21) (segid "   B" and resid   96 and name   HN)
    or (segid "   B" and resid   96 and name HG23) (segid "   B" and resid   96 and name   HN)
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   96 and name HG11) 3.377 1.425 1.425 weight 1.000 ! spec=Expt_44, no=944, id=2850, vol=2.562154e+06
    or (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   96 and name HG13)
    or (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   96 and name HG12)
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   86 and name HG12) 5.181 3.355 3.355 weight 1.000 ! spec=Expt_44, no=945, id=2851, vol=2.925185e+05
assign (segid "   B" and resid   96 and name   HB) (segid "   B" and resid   96 and name   HN) 2.613 0.854 0.854 weight 1.000 ! spec=Expt_44, no=946, id=2852, vol=3.797281e+06
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name  HB1) 4.167 2.171 2.171 weight 1.000 ! spec=Expt_44, no=947, id=2853, vol=1.358640e+06
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name  HB2) 3.375 1.424 1.424 weight 1.000 ! spec=Expt_44, no=948, id=2854, vol=2.069605e+06
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name   HA) 2.258 0.637 0.637 weight 1.000 ! spec=Expt_44, no=950, id=2856, vol=9.081294e+06
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   96 and name   HA) 2.852 1.017 1.017 weight 1.000 ! spec=Expt_44, no=951, id=2857, vol=2.381350e+06
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   86 and name   HA) 4.736 2.804 2.804 weight 1.000 ! spec=Expt_44, no=952, id=2858, vol=2.902692e+05
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   94 and name   HA) 5.649 3.989 3.989 weight 1.000 ! spec=Expt_44, no=953, id=2859, vol=2.550733e+05
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name   HN) 4.409 2.430 2.430 weight 1.000 ! spec=Expt_44, no=954, id=2860, vol=6.261384e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   85 and name HD21) 3.995 1.995 1.995 weight 1.000 ! spec=Expt_44, no=956, id=2862, vol=8.764319e+05
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   49 and name  HB2) 4.773 2.848 2.848 weight 1.000 ! spec=Expt_44, no=957, id=2863, vol=1.777598e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   49 and name  HB1) 5.995 4.493 4.493 weight 1.000 ! spec=Expt_44, no=958, id=2864, vol=1.679778e+05
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   95 and name   HA) 2.900 1.051 1.051 weight 1.000 ! spec=Expt_44, no=959, id=2865, vol=2.347410e+06
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   95 and name  HB1) 2.619 0.858 0.858 weight 1.000 ! spec=Expt_44, no=960, id=2866, vol=2.545447e+06
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   95 and name  HB2) 3.626 1.644 1.644 weight 1.000 ! spec=Expt_44, no=961, id=2867, vol=2.266210e+06
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   89 and name   HN) 4.583 2.625 2.625 weight 1.000 ! spec=Expt_44, no=965, id=2871, vol=4.370122e+05
assign (segid "   B" and resid   94 and name   HA) (segid "   B" and resid   95 and name   HN) 2.295 0.659 0.659 weight 1.000 ! spec=Expt_44, no=966, id=2872, vol=6.468975e+06
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   86 and name   HA) 4.041 2.041 2.041 weight 1.000 ! spec=Expt_44, no=967, id=2873, vol=8.112071e+05
assign (segid "   B" and resid   88 and name   HA) (segid "   B" and resid   95 and name   HN) 4.024 2.024 2.024 weight 1.000 ! spec=Expt_44, no=968, id=2874, vol=8.216633e+05
assign (segid "   B" and resid   94 and name  HB1) (segid "   B" and resid   95 and name   HN) 3.343 1.397 1.397 weight 1.000 ! spec=Expt_44, no=970, id=2876, vol=2.264656e+06
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   96 and name HG22) 3.478 1.512 1.512 weight 1.000 ! spec=Expt_44, no=972, id=2877, vol=8.679825e+05
    or (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   96 and name HG21)
    or (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   96 and name HG23)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   46 and name   HN) 4.359 2.375 2.375 weight 1.000 ! spec=Expt_44, no=974, id=2879, vol=7.649431e+05
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   90 and name  HB2) 3.061 1.171 1.171 weight 1.000 ! spec=Expt_44, no=975, id=2880, vol=1.691156e+06
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   90 and name  HB1) 2.645 0.875 0.875 weight 1.000 ! spec=Expt_44, no=976, id=2881, vol=3.201149e+06
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   89 and name  HB1) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_44, no=977, id=2882, vol=1.657955e+06
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   89 and name  HB2) 3.917 1.918 1.918 weight 1.000 ! spec=Expt_44, no=978, id=2883, vol=1.522788e+06
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   90 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_44, no=980, id=2885, vol=1.488655e+06
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   42 and name   HA) 4.470 2.498 2.498 weight 1.000 ! spec=Expt_44, no=981, id=2886, vol=5.985925e+05
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   91 and name   HN) 3.917 1.918 1.918 weight 1.000 ! spec=Expt_44, no=982, id=2887, vol=2.884727e+05
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   42 and name HD12) 5.378 3.615 3.615 weight 1.000 ! spec=Expt_44, no=984, id=2889, vol=2.588486e+05
    or (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   42 and name HD13)
assign (segid "   B" and resid   93 and name  HB2) (segid "   B" and resid   93 and name   HN) 2.713 0.920 0.920 weight 1.000 ! spec=Expt_44, no=988, id=2892, vol=4.349307e+06
assign (segid "   B" and resid   93 and name  HB1) (segid "   B" and resid   93 and name   HN) 2.598 0.844 0.844 weight 1.000 ! spec=Expt_44, no=989, id=2893, vol=3.784554e+06
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   93 and name   HN) 4.152 2.155 2.155 weight 1.000 ! spec=Expt_44, no=990, id=2894, vol=4.615388e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   93 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   93 and name   HN)
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   89 and name  HB1) 4.195 2.200 2.200 weight 1.000 ! spec=Expt_44, no=992, id=2895, vol=1.216233e+06
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   89 and name  HB2) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_44, no=993, id=2896, vol=9.559513e+05
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   91 and name  HB2) 4.688 2.748 2.748 weight 1.000 ! spec=Expt_44, no=994, id=2897, vol=3.475558e+05
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   92 and name  HA1) 3.248 1.319 1.319 weight 1.000 ! spec=Expt_44, no=995, id=2898, vol=1.650076e+06
assign (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   93 and name   HN) 3.423 1.465 1.465 weight 1.000 ! spec=Expt_44, no=996, id=2899, vol=1.681482e+06
assign (segid "   B" and resid   93 and name   HA) (segid "   B" and resid   93 and name   HN) 2.870 1.030 1.030 weight 1.000 ! spec=Expt_44, no=997, id=2900, vol=2.608099e+06
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   91 and name  HD1) 5.813 4.223 4.223 weight 1.000 ! spec=Expt_44, no=999, id=2901, vol=2.783497e+05
    or (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   92 and name   HN) 2.951 1.089 1.089 weight 1.000 ! spec=Expt_44, no=1000, id=2902, vol=1.773047e+06
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   93 and name   HN) 3.967 1.967 1.967 weight 1.000 ! spec=Expt_44, no=1002, id=2903, vol=5.824147e+05
assign (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   88 and name HD11) 5.372 3.608 3.608 weight 1.000 ! spec=Expt_44, no=1003, id=2904, vol=1.807010e+05
    or (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   93 and name   HN) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid  100 and name   HA) (segid "   B" and resid  100 and name   HN) 2.927 1.071 1.071 weight 1.000 ! spec=Expt_44, no=1009, id=2906, vol=2.418477e+06
assign (segid "   B" and resid  100 and name   HN) (segid "   A" and resid   15 and name HG21) 3.627 1.645 1.645 weight 1.000 ! spec=Expt_44, no=1011, id=2907, vol=6.098896e+05
    or (segid "   B" and resid  100 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   B" and resid  100 and name   HN) (segid "   A" and resid   15 and name HG22)
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid   83 and name   HN) 4.468 2.495 2.495 weight 1.000 ! spec=Expt_44, no=1012, id=2908, vol=3.733092e+05
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid  101 and name   HN) 4.103 2.105 2.105 weight 1.000 ! spec=Expt_44, no=1013, id=2909, vol=9.971471e+05
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid   99 and name  HD2) 3.710 1.721 1.721 weight 1.000 ! spec=Expt_44, no=1015, id=2910, vol=2.772559e+06
    or (segid "   B" and resid  100 and name   HN) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid   99 and name  HE2) 4.809 2.891 2.891 weight 1.000 ! spec=Expt_44, no=1016, id=2911, vol=5.466422e+05
    or (segid "   B" and resid  100 and name   HN) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid  101 and name  HD1) 4.742 2.811 2.811 weight 1.000 ! spec=Expt_44, no=1017, id=2912, vol=5.280744e+05
    or (segid "   B" and resid  100 and name   HN) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid  100 and name   HN) (segid "   B" and resid  101 and name   HA) 4.097 2.098 2.098 weight 1.000 ! spec=Expt_44, no=1018, id=2913, vol=7.387126e+05
assign (segid "   B" and resid   99 and name   HA) (segid "   B" and resid  100 and name   HN) 2.365 0.699 0.699 weight 1.000 ! spec=Expt_44, no=1019, id=2914, vol=1.108897e+07
assign (segid "   B" and resid   99 and name  HB2) (segid "   B" and resid  100 and name   HN) 2.354 0.693 0.693 weight 1.000 ! spec=Expt_44, no=1021, id=2915, vol=4.941963e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HB2) 3.777 1.783 1.783 weight 1.000 ! spec=Expt_44, no=1028, id=2916, vol=1.082749e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HB1) 2.935 1.077 1.077 weight 1.000 ! spec=Expt_44, no=1030, id=2918, vol=1.877231e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   96 and name HG11) 4.983 3.104 3.104 weight 1.000 ! spec=Expt_44, no=1033, id=2920, vol=5.031051e+05
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   96 and name HG13)
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   96 and name HG12)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   99 and name   HN) 3.908 1.909 1.909 weight 1.000 ! spec=Expt_44, no=1036, id=2922, vol=8.560223e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   99 and name   HN)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   99 and name   HN)
assign (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   99 and name   HN) 4.107 2.108 2.108 weight 1.000 ! spec=Expt_44, no=1037, id=2923, vol=1.845245e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   98 and name  HB1) 3.648 1.664 1.664 weight 1.000 ! spec=Expt_44, no=1039, id=2925, vol=2.144819e+06
assign (segid "   B" and resid   99 and name   HA) (segid "   B" and resid   99 and name   HN) 2.934 1.076 1.076 weight 1.000 ! spec=Expt_44, no=1041, id=2926, vol=2.512249e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   84 and name   HA) 3.351 1.404 1.404 weight 1.000 ! spec=Expt_44, no=1042, id=2927, vol=2.664750e+06
assign (segid "   B" and resid   98 and name   HA) (segid "   B" and resid   99 and name   HN) 2.186 0.597 0.597 weight 1.000 ! spec=Expt_44, no=1043, id=2928, vol=8.670642e+06
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid  100 and name   HA) 3.952 1.953 1.953 weight 1.000 ! spec=Expt_44, no=1044, id=2929, vol=5.850142e+05
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   84 and name HE22) 4.682 2.741 2.741 weight 1.000 ! spec=Expt_44, no=1045, id=2930, vol=4.870857e+05
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HE2) 3.949 1.949 1.949 weight 1.000 ! spec=Expt_44, no=1046, id=2931, vol=1.003633e+06
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HD2) 3.093 1.195 1.195 weight 1.000 ! spec=Expt_44, no=1047, id=2932, vol=3.499546e+06
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   98 and name   HN) (segid "   B" and resid   99 and name   HN) 4.194 2.199 2.199 weight 1.000 ! spec=Expt_44, no=1049, id=2933, vol=1.203641e+06
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   99 and name   HN) 3.123 1.219 1.219 weight 1.000 ! spec=Expt_44, no=1050, id=2934, vol=1.598038e+06
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   99 and name   HN) 4.583 2.626 2.626 weight 1.000 ! spec=Expt_44, no=1051, id=2935, vol=3.916209e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HZ2) 5.361 3.592 3.592 weight 1.000 ! spec=Expt_44, no=1052, id=2936, vol=1.738121e+05
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   72 and name HD12) 4.701 2.762 2.762 weight 1.000 ! spec=Expt_44, no=1055, id=2937, vol=2.604060e+05
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   70 and name   HN) (segid "   B" and resid   71 and name   HB) 5.117 3.274 3.274 weight 1.000 ! spec=Expt_44, no=1056, id=2938, vol=3.264142e+05
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG21) 3.260 1.329 1.329 weight 1.000 ! spec=Expt_44, no=1061, id=2942, vol=1.432488e+06
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG23)
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG22)
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   53 and name HD21) 4.367 2.384 2.384 weight 1.000 ! spec=Expt_44, no=1063, id=2944, vol=1.745069e+05
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   44 and name   HN) 3.284 1.348 1.348 weight 1.000 ! spec=Expt_44, no=1064, id=2945, vol=1.349055e+06
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   49 and name   HN) 3.871 1.873 1.873 weight 1.000 ! spec=Expt_44, no=1065, id=2946, vol=1.196127e+06
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HD1) 4.457 2.484 2.484 weight 1.000 ! spec=Expt_44, no=1067, id=2948, vol=3.966679e+05
    or (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HE1) 5.560 3.864 3.864 weight 1.000 ! spec=Expt_44, no=1068, id=2949, vol=1.384715e+05
    or (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HE2)
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name   HA) 3.409 1.453 1.453 weight 1.000 ! spec=Expt_44, no=1069, id=2950, vol=1.068729e+06
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   90 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=Expt_44, no=1070, id=2951, vol=1.386728e+06
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HB2) 3.936 1.937 1.937 weight 1.000 ! spec=Expt_44, no=1071, id=2952, vol=6.442794e+05
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   91 and name  HB1) 3.301 1.362 1.362 weight 1.000 ! spec=Expt_44, no=1072, id=2953, vol=6.936776e+05
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   90 and name  HB2) 4.552 2.590 2.590 weight 1.000 ! spec=Expt_44, no=1075, id=2956, vol=3.504884e+05
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  101 and name   HN) 3.474 1.509 1.509 weight 1.000 ! spec=Expt_44, no=1078, id=2958, vol=7.982642e+05
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   81 and name  HD1) 5.565 3.871 3.871 weight 1.000 ! spec=Expt_44, no=1082, id=2960, vol=2.407596e+05
    or (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid  101 and name  HD1) 4.158 2.161 2.161 weight 1.000 ! spec=Expt_44, no=1083, id=2961, vol=1.477612e+06
    or (segid "   B" and resid  101 and name   HN) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   82 and name   HA) 3.985 1.985 1.985 weight 1.000 ! spec=Expt_44, no=1085, id=2963, vol=9.894348e+05
assign (segid "   B" and resid  101 and name   HA) (segid "   B" and resid  101 and name   HN) 3.278 1.343 1.343 weight 1.000 ! spec=Expt_44, no=1086, id=2964, vol=1.213830e+06
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   81 and name   HA) 5.173 3.345 3.345 weight 1.000 ! spec=Expt_44, no=1088, id=2965, vol=2.269093e+05
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid  101 and name  HB1) 3.821 1.825 1.825 weight 1.000 ! spec=Expt_44, no=1089, id=2966, vol=4.178898e+05
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid  101 and name  HB2) 4.342 2.357 2.357 weight 1.000 ! spec=Expt_44, no=1090, id=2967, vol=4.392879e+05
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid  101 and name   HN) 4.058 2.059 2.059 weight 1.000 ! spec=Expt_44, no=1093, id=2970, vol=4.881314e+05
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   52 and name  HB1) 4.955 3.069 3.069 weight 1.000 ! spec=Expt_44, no=1094, id=2971, vol=2.253102e+05
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   52 and name  HG1) 4.423 2.445 2.445 weight 1.000 ! spec=Expt_44, no=1095, id=2972, vol=3.692969e+05
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid  101 and name   HN) 3.608 1.627 1.627 weight 1.000 ! spec=Expt_44, no=1096, id=2973, vol=1.683785e+06
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   53 and name HD21) 2.924 1.069 1.069 weight 1.000 ! spec=Expt_44, no=1101, id=2976, vol=5.461803e+06
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   89 and name  HB1) 4.125 2.127 2.127 weight 1.000 ! spec=Expt_44, no=1114, id=2988, vol=5.314208e+05
assign (segid "   B" and resid   89 and name  HB1) (segid "   B" and resid   89 and name HE21) 4.671 2.728 2.728 weight 1.000 ! spec=Expt_44, no=1115, id=2989, vol=5.060693e+05
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   89 and name HE22) 3.139 1.232 1.232 weight 1.000 ! spec=Expt_44, no=1116, id=2990, vol=1.642306e+06
assign (segid "   B" and resid   89 and name  HG2) (segid "   B" and resid   89 and name HE21) 4.015 2.015 2.015 weight 1.000 ! spec=Expt_44, no=1117, id=2991, vol=1.376150e+06
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   42 and name HD12) 4.058 2.059 2.059 weight 1.000 ! spec=Expt_44, no=1120, id=2994, vol=6.223095e+05
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   42 and name HD13)
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   42 and name HG11) 5.185 3.360 3.360 weight 1.000 ! spec=Expt_44, no=1122, id=2996, vol=2.314156e+05
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   42 and name HG11) 5.699 4.059 4.059 weight 1.000 ! spec=Expt_44, no=1123, id=2997, vol=2.004763e+05
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   95 and name  HB1) 4.327 2.341 2.341 weight 1.000 ! spec=Expt_44, no=1124, id=2998, vol=3.349999e+05
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   95 and name  HB1) 4.777 2.852 2.852 weight 1.000 ! spec=Expt_44, no=1125, id=2999, vol=3.729763e+05
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   93 and name  HB1) 3.934 1.934 1.934 weight 1.000 ! spec=Expt_44, no=1126, id=3000, vol=2.375814e+05
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   93 and name  HB2) 5.538 3.834 3.834 weight 1.000 ! spec=Expt_44, no=1128, id=3002, vol=1.727984e+05
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   42 and name   HA) 6.356 5.050 5.050 weight 1.000 ! spec=Expt_44, no=1134, id=3006, vol=1.814619e+05
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   89 and name HE21) 1.674 0.350 0.350 weight 1.000 ! spec=Expt_44, no=1139, id=3011, vol=1.732974e+07
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   95 and name   HN) 4.754 2.825 2.825 weight 1.000 ! spec=Expt_44, no=1141, id=3013, vol=2.012039e+05
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   95 and name   HN) 5.059 3.200 3.200 weight 1.000 ! spec=Expt_44, no=1142, id=3014, vol=2.024500e+05
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   90 and name   HN) 6.526 5.323 5.323 weight 1.000 ! spec=Expt_44, no=1144, id=3016, vol=2.082128e+05
assign (segid "   B" and resid   68 and name HD21) (segid "   B" and resid   68 and name HD22) 1.823 0.416 0.416 weight 1.000 ! spec=Expt_44, no=1145, id=3017, vol=1.346276e+07
assign (segid "   B" and resid   68 and name HD21) (segid "   B" and resid   68 and name   HN) 5.312 3.527 3.527 weight 1.000 ! spec=Expt_44, no=1147, id=3019, vol=2.576354e+05
assign (segid "   B" and resid   68 and name HD22) (segid "   B" and resid   68 and name   HN) 5.736 4.113 4.113 weight 1.000 ! spec=Expt_44, no=1148, id=3020, vol=1.628054e+05
assign (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   29 and name   HN) 4.929 3.036 3.036 weight 1.000 ! spec=Expt_44, no=1149, id=3021, vol=1.750006e+05
assign (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   29 and name   HN) 4.647 2.700 2.700 weight 1.000 ! spec=Expt_44, no=1150, id=3022, vol=1.918065e+05
assign (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   28 and name   HA) 3.908 1.909 1.909 weight 1.000 ! spec=Expt_44, no=1151, id=3023, vol=5.479997e+05
assign (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   28 and name   HA) 4.201 2.206 2.206 weight 1.000 ! spec=Expt_44, no=1152, id=3024, vol=5.518366e+05
assign (segid "   B" and resid   68 and name HD21) (segid "   B" and resid   68 and name   HA) 4.404 2.424 2.424 weight 1.000 ! spec=Expt_44, no=1155, id=3027, vol=5.156796e+05
assign (segid "   B" and resid   68 and name HD22) (segid "   B" and resid   68 and name   HA) 4.248 2.256 2.256 weight 1.000 ! spec=Expt_44, no=1156, id=3028, vol=4.562014e+05
assign (segid "   B" and resid   68 and name  HB1) (segid "   B" and resid   68 and name HD21) 3.248 1.319 1.319 weight 1.000 ! spec=Expt_44, no=1157, id=3029, vol=1.563663e+06
assign (segid "   B" and resid   68 and name  HB2) (segid "   B" and resid   68 and name HD21) 4.205 2.210 2.210 weight 1.000 ! spec=Expt_44, no=1158, id=3030, vol=1.219793e+06
assign (segid "   B" and resid   68 and name  HB2) (segid "   B" and resid   68 and name HD22) 3.761 1.768 1.768 weight 1.000 ! spec=Expt_44, no=1159, id=3031, vol=8.607608e+05
assign (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   29 and name  HB2) 6.453 5.205 5.205 weight 1.000 ! spec=Expt_44, no=1162, id=3033, vol=1.734513e+05
assign (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   29 and name  HB2) 5.711 4.077 4.077 weight 1.000 ! spec=Expt_44, no=1165, id=3036, vol=2.376233e+05
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   90 and name  HB2) 3.819 1.823 1.823 weight 1.000 ! spec=Expt_44, no=1166, id=3037, vol=3.467192e+05
assign (segid "   B" and resid   90 and name  HG1) (segid "   B" and resid   90 and name HE21) 3.208 1.287 1.287 weight 1.000 ! spec=Expt_44, no=1170, id=3041, vol=1.721266e+06
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   90 and name  HG1) 3.951 1.951 1.951 weight 1.000 ! spec=Expt_44, no=1171, id=3042, vol=1.382399e+06
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   37 and name  HB1) 5.700 4.061 4.061 weight 1.000 ! spec=Expt_44, no=1172, id=3043, vol=1.932094e+05
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   37 and name  HB1) 4.563 2.602 2.602 weight 1.000 ! spec=Expt_44, no=1173, id=3044, vol=1.836412e+05
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   91 and name  HB1) 5.401 3.647 3.647 weight 1.000 ! spec=Expt_44, no=1176, id=3045, vol=2.194251e+05
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   91 and name  HB1) 6.033 4.549 4.549 weight 1.000 ! spec=Expt_44, no=1177, id=3046, vol=2.211154e+05
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   39 and name  HD1) 5.808 4.217 4.217 weight 1.000 ! spec=Expt_44, no=1178, id=3047, vol=2.423598e+05
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   90 and name   HA) 6.409 5.134 5.134 weight 1.000 ! spec=Expt_44, no=1179, id=3048, vol=2.214358e+05
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   39 and name  HD1) 5.841 4.265 4.265 weight 1.000 ! spec=Expt_44, no=1180, id=3049, vol=1.860668e+05
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   90 and name   HA) 6.291 4.947 4.947 weight 1.000 ! spec=Expt_44, no=1181, id=3050, vol=2.367550e+05
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   39 and name   HA) 4.795 2.874 2.874 weight 1.000 ! spec=Expt_44, no=1182, id=3051, vol=2.803510e+05
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   90 and name HE22) 1.568 0.307 0.307 weight 1.000 ! spec=Expt_44, no=1183, id=3052, vol=3.125034e+07
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   56 and name   HN) 4.317 2.329 2.329 weight 1.000 ! spec=Expt_44, no=1185, id=3054, vol=1.478489e+06
assign (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   58 and name  HZ2) 4.131 2.133 2.133 weight 1.000 ! spec=Expt_44, no=1186, id=3055, vol=8.250619e+05
assign (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   84 and name HE22) 1.969 0.484 0.484 weight 1.000 ! spec=Expt_44, no=1187, id=3056, vol=5.709418e+06
assign (segid "   B" and resid   84 and name  HG2) (segid "   B" and resid   84 and name HE22) 2.968 1.101 1.101 weight 1.000 ! spec=Expt_44, no=1189, id=3058, vol=9.959319e+05
assign (segid "   B" and resid   84 and name HE22) (segid "   B" and resid   96 and name HG11) 5.201 3.381 3.381 weight 1.000 ! spec=Expt_44, no=1193, id=3062, vol=2.441295e+05
    or (segid "   B" and resid   84 and name HE22) (segid "   B" and resid   96 and name HG13)
    or (segid "   B" and resid   84 and name HE22) (segid "   B" and resid   96 and name HG12)
assign (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   96 and name HG11) 4.266 2.275 2.275 weight 1.000 ! spec=Expt_44, no=1194, id=3063, vol=4.643578e+05
    or (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   96 and name HG13)
    or (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   96 and name HG12)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   94 and name HE21) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_44, no=1195, id=3064, vol=1.693159e+06
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   94 and name HE21)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   94 and name HE21)
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   88 and name HG22) 3.298 1.360 1.360 weight 1.000 ! spec=Expt_44, no=1196, id=3065, vol=1.012119e+06
    or (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HD11) 3.706 1.717 1.717 weight 1.000 ! spec=Expt_44, no=1197, id=3066, vol=1.636643e+06
    or (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HG22) 3.798 1.803 1.803 weight 1.000 ! spec=Expt_44, no=1198, id=3067, vol=8.248466e+05
    or (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   88 and name HG11) 4.395 2.414 2.414 weight 1.000 ! spec=Expt_44, no=1199, id=3068, vol=3.051989e+05
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   88 and name HG12) 4.927 3.034 3.034 weight 1.000 ! spec=Expt_44, no=1200, id=3069, vol=2.153016e+05
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   94 and name  HB1) 4.173 2.176 2.176 weight 1.000 ! spec=Expt_44, no=1202, id=3070, vol=4.992015e+05
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   94 and name  HB2) 4.714 2.778 2.778 weight 1.000 ! spec=Expt_44, no=1203, id=3071, vol=5.116065e+05
assign (segid "   B" and resid   94 and name HE22) (segid "   B" and resid   94 and name  HB2) 4.854 2.945 2.945 weight 1.000 ! spec=Expt_44, no=1204, id=3072, vol=5.205918e+05
assign (segid "   B" and resid   94 and name  HG1) (segid "   B" and resid   94 and name HE21) 3.035 1.152 1.152 weight 1.000 ! spec=Expt_44, no=1205, id=3073, vol=1.561047e+06
assign (segid "   B" and resid   94 and name  HG1) (segid "   B" and resid   94 and name HE22) 4.303 2.314 2.314 weight 1.000 ! spec=Expt_44, no=1206, id=3074, vol=1.243074e+06
assign (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   94 and name HE21) 2.612 0.853 0.853 weight 1.000 ! spec=Expt_44, no=1207, id=3075, vol=2.046843e+06
assign (segid "   B" and resid   94 and name  HG2) (segid "   B" and resid   94 and name HE22) 4.022 2.022 2.022 weight 1.000 ! spec=Expt_44, no=1208, id=3076, vol=1.533814e+06
assign (segid "   B" and resid   94 and name HE21) (segid "   B" and resid   94 and name HE22) 1.600 0.320 0.320 weight 1.000 ! spec=Expt_44, no=1209, id=3077, vol=2.768137e+07
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   49 and name  HB2) 5.536 3.832 3.832 weight 1.000 ! spec=Expt_44, no=1211, id=3079, vol=2.064451e+05
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   81 and name   HA) 6.108 4.663 4.663 weight 1.000 ! spec=Expt_44, no=1212, id=3080, vol=1.508480e+05
assign (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HD13) 4.505 2.537 2.537 weight 1.000 ! spec=Expt_44, no=1213, id=3081, vol=4.972435e+05
    or (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   69 and name   HN) (segid "   B" and resid   63 and name HD12)
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   69 and name   HN) 4.390 2.409 2.409 weight 1.000 ! spec=Expt_44, no=1214, id=3082, vol=4.554060e+05
assign (segid "   B" and resid   70 and name  HB2) (segid "   B" and resid   69 and name   HN) 4.905 3.008 3.008 weight 1.000 ! spec=Expt_44, no=1215, id=3083, vol=3.502286e+05
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   21 and name HG22) 3.715 1.725 1.725 weight 1.000 ! spec=Expt_44, no=1217, id=3085, vol=1.897394e+06
    or (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   21 and name HG23)
    or (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   21 and name HG21)
assign (segid "   B" and resid   74 and name   HN) (segid "   A" and resid   22 and name   HN) 5.129 3.288 3.288 weight 1.000 ! spec=Expt_44, no=1219, id=3086, vol=1.953140e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   90 and name   HN) 4.301 2.313 2.313 weight 1.000 ! spec=Expt_44, no=1222, id=3087, vol=4.497401e+05
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   92 and name   HN) 3.275 1.341 1.341 weight 1.000 ! spec=Expt_44, no=1223, id=3088, vol=9.403672e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   91 and name  HD1) 4.919 3.024 3.024 weight 1.000 ! spec=Expt_44, no=1225, id=3090, vol=6.345501e+05
    or (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   91 and name   HA) 3.069 1.177 1.177 weight 1.000 ! spec=Expt_44, no=1227, id=3091, vol=2.640558e+06
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   93 and name   HA) 5.008 3.135 3.135 weight 1.000 ! spec=Expt_44, no=1228, id=3092, vol=5.024437e+05
assign (segid "   B" and resid   92 and name  HA2) (segid "   B" and resid   92 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=Expt_44, no=1229, id=3093, vol=4.584915e+06
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   90 and name   HA) 3.730 1.739 1.739 weight 1.000 ! spec=Expt_44, no=1230, id=3094, vol=7.140266e+05
assign (segid "   B" and resid   92 and name  HA1) (segid "   B" and resid   92 and name   HN) 2.958 1.093 1.093 weight 1.000 ! spec=Expt_44, no=1231, id=3095, vol=5.287289e+06
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   91 and name  HB2) 3.995 1.995 1.995 weight 1.000 ! spec=Expt_44, no=1232, id=3096, vol=8.785026e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   91 and name  HB1) 3.678 1.691 1.691 weight 1.000 ! spec=Expt_44, no=1233, id=3097, vol=1.032001e+06
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   93 and name  HB1) 4.852 2.943 2.943 weight 1.000 ! spec=Expt_44, no=1234, id=3098, vol=4.860656e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   89 and name  HB2) 3.664 1.678 1.678 weight 1.000 ! spec=Expt_44, no=1235, id=3099, vol=4.897905e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   89 and name  HB1) 4.323 2.336 2.336 weight 1.000 ! spec=Expt_44, no=1236, id=3100, vol=5.552010e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   90 and name  HB1) 5.169 3.340 3.340 weight 1.000 ! spec=Expt_44, no=1237, id=3101, vol=3.155782e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   90 and name  HB2) 5.220 3.407 3.407 weight 1.000 ! spec=Expt_44, no=1238, id=3102, vol=3.182444e+05
assign (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   88 and name HG22) 3.420 1.462 1.462 weight 1.000 ! spec=Expt_44, no=1239, id=3103, vol=1.013263e+06
    or (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   92 and name   HN) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   50 and name  HB1) 4.351 2.367 2.367 weight 1.000 ! spec=Expt_44, no=1243, id=3104, vol=1.246264e+06
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   50 and name  HB2) 2.834 1.004 1.004 weight 1.000 ! spec=Expt_44, no=1244, id=3105, vol=1.106052e+06
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   82 and name  HB1) 2.857 1.020 1.020 weight 1.000 ! spec=Expt_44, no=1245, id=3106, vol=2.494381e+06
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   82 and name  HB2) 4.074 2.075 2.075 weight 1.000 ! spec=Expt_44, no=1246, id=3107, vol=1.126953e+06
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   50 and name  HD1) 3.861 1.864 1.864 weight 1.000 ! spec=Expt_44, no=1248, id=3108, vol=4.334413e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   54 and name  HB2) 4.643 2.694 2.694 weight 1.000 ! spec=Expt_44, no=1249, id=3109, vol=5.317340e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   52 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=Expt_44, no=1250, id=3110, vol=7.183083e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   55 and name   HA) 4.591 2.634 2.634 weight 1.000 ! spec=Expt_44, no=1253, id=3111, vol=3.593285e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   50 and name   HA) 5.437 3.695 3.695 weight 1.000 ! spec=Expt_44, no=1254, id=3112, vol=5.939766e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   58 and name  HZ2) 3.475 1.509 1.509 weight 1.000 ! spec=Expt_44, no=1258, id=3114, vol=1.432285e+06
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   50 and name   HN) 5.005 3.131 3.131 weight 1.000 ! spec=Expt_44, no=1259, id=3115, vol=3.964816e+05
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   59 and name   HN) 6.924 5.993 5.993 weight 1.000 ! spec=Expt_44, no=1260, id=3116, vol=1.946558e+05
assign (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   45 and name   HA) 3.883 1.884 1.884 weight 1.000 ! spec=Expt_53, no=1, id=3117, vol=3.851211e+05
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   45 and name   HA)
assign (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   45 and name  HE1) 3.138 1.231 1.231 weight 1.000 ! spec=Expt_53, no=3, id=3119, vol=2.264841e+06
    or (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   70 and name  HE2) 2.849 1.014 1.014 weight 1.000 ! spec=Expt_53, no=5, id=3121, vol=4.103553e+06
    or (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   91 and name  HD1) (segid "   B" and resid   91 and name  HE1) 2.529 0.800 0.800 weight 1.000 ! spec=Expt_53, no=8, id=3123, vol=9.007802e+06
    or (segid "   B" and resid   91 and name  HD1) (segid "   B" and resid   91 and name  HE2)
    or (segid "   B" and resid   91 and name  HD2) (segid "   B" and resid   91 and name  HE1)
    or (segid "   B" and resid   91 and name  HD2) (segid "   B" and resid   91 and name  HE2)
assign (segid "   B" and resid  101 and name  HD1) (segid "   B" and resid  101 and name  HE1) 3.270 1.337 1.337 weight 1.000 ! spec=Expt_53, no=9, id=3124, vol=1.789314e+06
    or (segid "   B" and resid  101 and name  HD1) (segid "   B" and resid  101 and name  HE2)
    or (segid "   B" and resid  101 and name  HD2) (segid "   B" and resid  101 and name  HE1)
    or (segid "   B" and resid  101 and name  HD2) (segid "   B" and resid  101 and name  HE2)
assign (segid "   B" and resid   99 and name  HE2) (segid "   B" and resid   99 and name  HD2) 3.078 1.184 1.184 weight 1.000 ! spec=Expt_53, no=11, id=3126, vol=2.245081e+06
    or (segid "   B" and resid   99 and name  HE2) (segid "   B" and resid   99 and name  HD1)
    or (segid "   B" and resid   99 and name  HE1) (segid "   B" and resid   99 and name  HD2)
    or (segid "   B" and resid   99 and name  HE1) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid  101 and name  HD1) (segid "   B" and resid   81 and name  HD1) 3.190 1.272 1.272 weight 1.000 ! spec=Expt_53, no=13, id=3127, vol=1.100117e+06
    or (segid "   B" and resid  101 and name  HD1) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid  101 and name  HD2) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid  101 and name  HD2) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   49 and name  HD1) (segid "   B" and resid   81 and name  HD1) 4.383 2.401 2.401 weight 1.000 ! spec=Expt_53, no=14, id=3128, vol=2.131288e+05
    or (segid "   B" and resid   49 and name  HD1) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   49 and name  HZ2) (segid "   B" and resid   49 and name  HH2) 2.778 0.965 0.965 weight 1.000 ! spec=Expt_53, no=15, id=3129, vol=1.395298e+06
assign (segid "   B" and resid   58 and name  HZ2) (segid "   B" and resid   58 and name  HH2) 2.819 0.993 0.993 weight 1.000 ! spec=Expt_53, no=16, id=3130, vol=1.341332e+06
assign (segid "   B" and resid   49 and name  HH2) (segid "   B" and resid   49 and name  HZ3) 2.910 1.058 1.058 weight 1.000 ! spec=Expt_53, no=18, id=3132, vol=8.731441e+05
assign (segid "   B" and resid   58 and name  HZ3) (segid "   B" and resid   58 and name  HE3) 3.271 1.337 1.337 weight 1.000 ! spec=Expt_53, no=21, id=3134, vol=4.060780e+05
assign (segid "   B" and resid   58 and name  HE3) (segid "   B" and resid   58 and name   HA) 3.932 1.933 1.933 weight 1.000 ! spec=Expt_53, no=22, id=3135, vol=1.973606e+05
assign (segid "   B" and resid   58 and name  HE3) (segid "   B" and resid   58 and name  HB1) 5.386 3.626 3.626 weight 1.000 ! spec=Expt_53, no=24, id=3137, vol=1.878390e+05
assign (segid "   B" and resid   70 and name  HE2) (segid "   B" and resid   49 and name  HH2) 3.758 1.765 1.765 weight 1.000 ! spec=Expt_53, no=27, id=3139, vol=6.241554e+05
    or (segid "   B" and resid   70 and name  HE1) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   87 and name   HA) 3.966 1.966 1.966 weight 1.000 ! spec=Expt_53, no=30, id=3141, vol=4.801074e+05
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   45 and name  HD1) 3.437 1.477 1.477 weight 1.000 ! spec=Expt_53, no=34, id=3144, vol=5.661463e+05
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   71 and name   HA) 4.586 2.628 2.628 weight 1.000 ! spec=Expt_53, no=47, id=3155, vol=2.059701e+05
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   71 and name   HA)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HD2) 3.406 1.450 1.450 weight 1.000 ! spec=Expt_53, no=49, id=3157, vol=6.045812e+05
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   70 and name  HD2) 3.536 1.563 1.563 weight 1.000 ! spec=Expt_53, no=53, id=3161, vol=5.325076e+05
    or (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   91 and name  HB1) (segid "   B" and resid   91 and name  HD1) 3.219 1.295 1.295 weight 1.000 ! spec=Expt_53, no=54, id=3162, vol=9.921012e+05
    or (segid "   B" and resid   91 and name  HB1) (segid "   B" and resid   91 and name  HD2)
assign (segid "   B" and resid   91 and name  HD1) (segid "   B" and resid   90 and name  HB1) 4.314 2.327 2.327 weight 1.000 ! spec=Expt_53, no=56, id=3164, vol=3.308983e+05
    or (segid "   B" and resid   91 and name  HD2) (segid "   B" and resid   90 and name  HB1)
assign (segid "   B" and resid   91 and name  HD1) (segid "   B" and resid   89 and name  HB1) 4.556 2.594 2.594 weight 1.000 ! spec=Expt_53, no=57, id=3165, vol=1.833244e+05
    or (segid "   B" and resid   91 and name  HD2) (segid "   B" and resid   89 and name  HB1)
assign (segid "   B" and resid   91 and name  HD1) (segid "   B" and resid   90 and name HE21) 3.406 1.450 1.450 weight 1.000 ! spec=Expt_53, no=62, id=3167, vol=1.098815e+06
    or (segid "   B" and resid   91 and name  HD2) (segid "   B" and resid   90 and name HE21)
assign (segid "   B" and resid   99 and name  HB2) (segid "   B" and resid   99 and name  HD2) 3.194 1.275 1.275 weight 1.000 ! spec=Expt_53, no=63, id=3168, vol=9.451711e+05
    or (segid "   B" and resid   99 and name  HB2) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   99 and name  HB1) (segid "   B" and resid   99 and name  HD2) 3.202 1.282 1.282 weight 1.000 ! spec=Expt_53, no=64, id=3169, vol=8.557323e+05
    or (segid "   B" and resid   99 and name  HB1) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   98 and name   HA) (segid "   B" and resid   99 and name  HD2) 4.216 2.222 2.222 weight 1.000 ! spec=Expt_53, no=70, id=3175, vol=4.160105e+05
    or (segid "   B" and resid   98 and name   HA) (segid "   B" and resid   99 and name  HD1)
assign (segid "   B" and resid   81 and name  HD1) (segid "   B" and resid  101 and name  HB1) 4.363 2.379 2.379 weight 1.000 ! spec=Expt_53, no=71, id=3176, vol=2.867508e+05
    or (segid "   B" and resid   81 and name  HD2) (segid "   B" and resid  101 and name  HB1)
assign (segid "   B" and resid   99 and name  HD2) (segid "   A" and resid   13 and name  HG2) 3.935 1.935 1.935 weight 1.000 ! spec=Expt_53, no=72, id=3177, vol=3.464538e+05
    or (segid "   B" and resid   99 and name  HD1) (segid "   A" and resid   13 and name  HG2)
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  101 and name  HD1) 4.889 2.988 2.988 weight 1.000 ! spec=Expt_53, no=76, id=3181, vol=1.557221e+05
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid  101 and name  HD1) (segid "   B" and resid  100 and name   HA) 5.429 3.684 3.684 weight 1.000 ! spec=Expt_53, no=78, id=3182, vol=1.619984e+05
    or (segid "   B" and resid  101 and name  HD2) (segid "   B" and resid  100 and name   HA)
assign (segid "   B" and resid  101 and name  HB2) (segid "   B" and resid  101 and name  HD1) 3.588 1.609 1.609 weight 1.000 ! spec=Expt_53, no=83, id=3185, vol=6.044563e+05
    or (segid "   B" and resid  101 and name  HB2) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid  101 and name  HD1) (segid "   A" and resid   15 and name HG13) 3.359 1.411 1.411 weight 1.000 ! spec=Expt_53, no=90, id=3186, vol=7.182511e+05
    or (segid "   B" and resid  101 and name  HD1) (segid "   A" and resid   15 and name HG11)
    or (segid "   B" and resid  101 and name  HD1) (segid "   A" and resid   15 and name HG12)
    or (segid "   B" and resid  101 and name  HD2) (segid "   A" and resid   15 and name HG13)
    or (segid "   B" and resid  101 and name  HD2) (segid "   A" and resid   15 and name HG11)
    or (segid "   B" and resid  101 and name  HD2) (segid "   A" and resid   15 and name HG12)
assign (segid "   B" and resid   75 and name HD11) (segid "   B" and resid  101 and name  HD1) 3.256 1.326 1.326 weight 1.000 ! spec=Expt_53, no=93, id=3187, vol=6.083934e+05
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid  101 and name  HD1)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid  101 and name  HD1)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid  101 and name  HE1) (segid "   B" and resid   75 and name HD11) 3.733 1.742 1.742 weight 1.000 ! spec=Expt_53, no=94, id=3188, vol=3.166932e+05
    or (segid "   B" and resid  101 and name  HE1) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid  101 and name  HE1) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid  101 and name  HE2) (segid "   B" and resid   75 and name HD11)
    or (segid "   B" and resid  101 and name  HE2) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid  101 and name  HE2) (segid "   B" and resid   75 and name HD12)
assign (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HE1) 4.581 2.623 2.623 weight 1.000 ! spec=Expt_53, no=95, id=3189, vol=2.227837e+05
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HE2)
assign (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   99 and name  HE2) 3.876 1.878 1.878 weight 1.000 ! spec=Expt_53, no=96, id=3190, vol=3.470217e+05
    or (segid "   A" and resid   25 and name HG12) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG11) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG13) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   58 and name  HD1) (segid "   B" and resid   57 and name  HB1) 6.001 4.502 4.502 weight 1.000 ! spec=Expt_53, no=98, id=3192, vol=1.369497e+05
assign (segid "   B" and resid   58 and name  HD1) (segid "   B" and resid   57 and name  HB2) 5.213 3.397 3.397 weight 1.000 ! spec=Expt_53, no=99, id=3193, vol=1.465106e+05
assign (segid "   B" and resid   58 and name  HD1) (segid "   B" and resid   58 and name  HB2) 4.834 2.921 2.921 weight 1.000 ! spec=Expt_53, no=102, id=3195, vol=2.299520e+05
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HD1) 3.098 1.200 1.200 weight 1.000 ! spec=Expt_53, no=106, id=3198, vol=8.174335e+05
assign (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   49 and name  HD1) 3.211 1.289 1.289 weight 1.000 ! spec=Expt_53, no=107, id=3199, vol=3.227422e+05
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   49 and name  HD1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   49 and name  HD1)
assign (segid "   B" and resid   49 and name  HD1) (segid "   B" and resid   49 and name   HA) 4.585 2.628 2.628 weight 1.000 ! spec=Expt_53, no=110, id=3201, vol=2.867656e+05
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   58 and name  HH2) 4.131 2.133 2.133 weight 1.000 ! spec=Expt_53, no=113, id=3204, vol=3.076285e+05
assign (segid "   B" and resid   58 and name  HH2) (segid "   B" and resid   82 and name  HB2) 3.734 1.743 1.743 weight 1.000 ! spec=Expt_53, no=114, id=3205, vol=3.274042e+05
assign (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   58 and name  HH2) 3.581 1.603 1.603 weight 1.000 ! spec=Expt_53, no=116, id=3206, vol=2.826561e+05
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HZ2) 3.620 1.638 1.638 weight 1.000 ! spec=Expt_53, no=121, id=3209, vol=3.461239e+05
assign (segid "   B" and resid   58 and name  HZ3) (segid "   B" and resid   58 and name  HB2) 5.824 4.239 4.239 weight 1.000 ! spec=Expt_53, no=134, id=3220, vol=8.187166e+04
assign (segid "   B" and resid   58 and name  HZ3) (segid "   B" and resid   82 and name  HB2) 4.156 2.159 2.159 weight 1.000 ! spec=Expt_53, no=137, id=3221, vol=2.149364e+05
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   58 and name  HZ3) 5.096 3.246 3.246 weight 1.000 ! spec=Expt_53, no=138, id=3222, vol=1.453660e+05
assign (segid "   B" and resid   91 and name  HE1) (segid "   B" and resid   90 and name HE21) 3.697 1.708 1.708 weight 1.000 ! spec=Expt_53, no=149, id=3229, vol=5.165173e+05
    or (segid "   B" and resid   91 and name  HE2) (segid "   B" and resid   90 and name HE21)
assign (segid "   B" and resid   91 and name  HE1) (segid "   B" and resid   93 and name  HB1) 4.473 2.501 2.501 weight 1.000 ! spec=Expt_53, no=154, id=3230, vol=1.150659e+05
    or (segid "   B" and resid   91 and name  HE2) (segid "   B" and resid   93 and name  HB1)
assign (segid "   B" and resid   91 and name  HE1) (segid "   B" and resid   90 and name  HB1) 4.183 2.187 2.187 weight 1.000 ! spec=Expt_53, no=156, id=3231, vol=3.686744e+05
    or (segid "   B" and resid   91 and name  HE2) (segid "   B" and resid   90 and name  HB1)
assign (segid "   B" and resid   45 and name  HE1) (segid "   B" and resid   42 and name HD12) 3.264 1.332 1.332 weight 1.000 ! spec=Expt_53, no=159, id=3233, vol=1.362867e+06
    or (segid "   B" and resid   45 and name  HE1) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   45 and name  HE1) (segid "   B" and resid   42 and name HD13)
    or (segid "   B" and resid   45 and name  HE2) (segid "   B" and resid   42 and name HD12)
    or (segid "   B" and resid   45 and name  HE2) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   45 and name  HE2) (segid "   B" and resid   42 and name HD13)
assign (segid "   B" and resid   45 and name  HE1) (segid "   B" and resid   42 and name HG12) 3.818 1.822 1.822 weight 1.000 ! spec=Expt_53, no=160, id=3234, vol=2.771469e+05
    or (segid "   B" and resid   45 and name  HE2) (segid "   B" and resid   42 and name HG12)
assign (segid "   B" and resid   45 and name  HE1) (segid "   B" and resid   67 and name  HB2) 3.840 1.843 1.843 weight 1.000 ! spec=Expt_53, no=164, id=3236, vol=4.108112e+05
    or (segid "   B" and resid   45 and name  HE2) (segid "   B" and resid   67 and name  HB2)
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HE1) 3.352 1.404 1.404 weight 1.000 ! spec=Expt_53, no=167, id=3237, vol=9.471372e+05
    or (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.329 2.343 2.343 weight 1.000 ! spec=Expt_53, no=173, id=3240, vol=2.821507e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   70 and name  HE2) (segid "   B" and resid   70 and name   HA) 5.001 3.126 3.126 weight 1.000 ! spec=Expt_53, no=179, id=3243, vol=1.459682e+05
    or (segid "   B" and resid   70 and name  HE1) (segid "   B" and resid   70 and name   HA)
assign (segid "   B" and resid   70 and name  HE2) (segid "   B" and resid   70 and name  HB1) 4.536 2.572 2.572 weight 1.000 ! spec=Expt_53, no=181, id=3245, vol=1.878980e+05
    or (segid "   B" and resid   70 and name  HE1) (segid "   B" and resid   70 and name  HB1)
assign (segid "   B" and resid   91 and name  HB1) (segid "   B" and resid   91 and name  HE1) 4.057 2.058 2.058 weight 1.000 ! spec=Expt_53, no=182, id=3246, vol=3.968877e+05
    or (segid "   B" and resid   91 and name  HB1) (segid "   B" and resid   91 and name  HE2)
assign (segid "   B" and resid   70 and name  HE2) (segid "   B" and resid   47 and name   HG) 3.759 1.766 1.766 weight 1.000 ! spec=Expt_53, no=186, id=3249, vol=4.010413e+05
    or (segid "   B" and resid   70 and name  HE1) (segid "   B" and resid   47 and name   HG)
assign (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   25 and name   HN) 2.077 0.539 0.539 weight 1.000 ! spec=Expt_63, no=7, id=447, vol=3.815370e+05
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   25 and name   HN) 2.748 0.944 0.944 weight 1.000 ! spec=Expt_63, no=10, id=449, vol=1.366599e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HN) 2.208 0.609 0.609 weight 1.000 ! spec=Expt_63, no=12, id=451, vol=3.905629e+05
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HD1) 2.455 0.753 0.753 weight 1.000 ! spec=Expt_63, no=14, id=452, vol=4.288378e+05
assign (segid "   A" and resid   27 and name  HE1) (segid "   A" and resid   27 and name  HZ2) 2.706 0.915 0.915 weight 1.000 ! spec=Expt_63, no=15, id=453, vol=2.175245e+05
assign (segid "   A" and resid   27 and name  HE1) (segid "   B" and resid   45 and name  HE1) 3.097 1.199 1.199 weight 1.000 ! spec=Expt_63, no=16, id=454, vol=1.917365e+05
    or (segid "   A" and resid   27 and name  HE1) (segid "   B" and resid   45 and name  HE2)
assign (segid "   A" and resid   27 and name  HE1) (segid "   B" and resid   68 and name   HA) 2.674 0.894 0.894 weight 1.000 ! spec=Expt_63, no=17, id=455, vol=2.333195e+05
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name   HN) 2.665 0.888 0.888 weight 1.000 ! spec=Expt_63, no=18, id=456, vol=1.394540e+05
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name   HN) 3.903 1.904 1.904 weight 1.000 ! spec=Expt_63, no=19, id=457, vol=9.230345e+04
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.969 1.102 1.102 weight 1.000 ! spec=Expt_63, no=21, id=458, vol=1.130949e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   24 and name   HN) 2.843 1.011 1.011 weight 1.000 ! spec=Expt_63, no=22, id=459, vol=1.163878e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name   HN) 2.292 0.657 0.657 weight 1.000 ! spec=Expt_63, no=23, id=460, vol=3.442796e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   16 and name   HN) 3.492 1.524 1.524 weight 1.000 ! spec=Expt_63, no=24, id=461, vol=1.035822e+05
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   16 and name   HN) 3.800 1.805 1.805 weight 1.000 ! spec=Expt_63, no=25, id=462, vol=6.467444e+04
assign (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   16 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=Expt_63, no=27, id=464, vol=2.232474e+05
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   16 and name   HN) 3.574 1.596 1.596 weight 1.000 ! spec=Expt_63, no=28, id=465, vol=1.348088e+05
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid    9 and name   HN) 1.880 0.442 0.442 weight 1.000 ! spec=Expt_63, no=29, id=466, vol=9.478923e+05
    or (segid "   A" and resid    9 and name  HB3) (segid "   A" and resid    9 and name   HN)
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name  HD2) 4.411 2.432 2.432 weight 1.000 ! spec=Expt_63, no=32, id=467, vol=5.403374e+04
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name  HD1) 4.126 2.128 2.128 weight 1.000 ! spec=Expt_63, no=33, id=468, vol=6.640183e+04
assign (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name   HN) 2.781 0.967 0.967 weight 1.000 ! spec=Expt_63, no=36, id=469, vol=1.326813e+05
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HN) 2.782 0.968 0.968 weight 1.000 ! spec=Expt_63, no=37, id=470, vol=1.491774e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name   HN) 2.085 0.543 0.543 weight 1.000 ! spec=Expt_63, no=39, id=472, vol=5.917394e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   14 and name   HN) 3.095 1.198 1.198 weight 1.000 ! spec=Expt_63, no=40, id=473, vol=7.832657e+04
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   26 and name   HN) 3.315 1.373 1.373 weight 1.000 ! spec=Expt_63, no=42, id=474, vol=1.422963e+05
assign (segid "   A" and resid   25 and name   HB) (segid "   A" and resid   26 and name   HN) 4.375 2.393 2.393 weight 1.000 ! spec=Expt_63, no=43, id=475, vol=6.606803e+04
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   26 and name   HN) 2.600 0.845 0.845 weight 1.000 ! spec=Expt_63, no=45, id=476, vol=2.930044e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name  HE3) 3.784 1.789 1.789 weight 1.000 ! spec=Expt_63, no=47, id=478, vol=4.062890e+04
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name   HN) 2.192 0.600 0.600 weight 1.000 ! spec=Expt_63, no=48, id=479, vol=3.452348e+05
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name   HN) 3.705 1.716 1.716 weight 1.000 ! spec=Expt_63, no=49, id=480, vol=1.140424e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.265 0.641 0.641 weight 1.000 ! spec=Expt_63, no=50, id=481, vol=4.715115e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HN) 4.288 2.299 2.299 weight 1.000 ! spec=Expt_63, no=51, id=482, vol=3.763872e+04
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   29 and name   HN) 2.006 0.503 0.503 weight 1.000 ! spec=Expt_63, no=53, id=483, vol=6.214685e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG13) 3.522 1.550 1.550 weight 1.000 ! spec=Expt_63, no=56, id=486, vol=7.428868e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name HG12)
assign (segid "   A" and resid   26 and name   HE) (segid "   A" and resid   26 and name   HA) 4.153 2.156 2.156 weight 1.000 ! spec=Expt_63, no=65, id=492, vol=8.516575e+04
assign (segid "   A" and resid   14 and name HG22) (segid "   A" and resid   15 and name   HN) 2.759 0.951 0.951 weight 1.000 ! spec=Expt_63, no=68, id=495, vol=1.472533e+05
    or (segid "   A" and resid   14 and name HG21) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   14 and name HG23) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   15 and name   HB) (segid "   A" and resid   15 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=Expt_63, no=69, id=496, vol=1.674818e+05
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   15 and name   HN) 2.989 1.117 1.117 weight 1.000 ! spec=Expt_63, no=71, id=497, vol=1.506569e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name   HN) 3.213 1.290 1.290 weight 1.000 ! spec=Expt_63, no=73, id=499, vol=6.144939e+04
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 3.194 1.275 1.275 weight 1.000 ! spec=Expt_63, no=75, id=501, vol=5.130086e+04
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   27 and name   HN) 2.582 0.833 0.833 weight 1.000 ! spec=Expt_63, no=90, id=502, vol=1.966961e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   68 and name  HB2) 4.309 2.321 2.321 weight 1.000 ! spec=Expt_63, no=92, id=504, vol=5.258847e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   68 and name  HB1) 3.079 1.185 1.185 weight 1.000 ! spec=Expt_63, no=93, id=505, vol=7.426537e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB2) 3.459 1.496 1.496 weight 1.000 ! spec=Expt_63, no=94, id=506, vol=5.258936e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.844 1.847 1.847 weight 1.000 ! spec=Expt_63, no=96, id=507, vol=5.023817e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   69 and name   HA) 3.406 1.451 1.451 weight 1.000 ! spec=Expt_63, no=98, id=509, vol=1.329256e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name   HN) 2.236 0.625 0.625 weight 1.000 ! spec=Expt_63, no=99, id=510, vol=4.726953e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name   HN) 2.895 1.048 1.048 weight 1.000 ! spec=Expt_63, no=101, id=511, vol=1.197140e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HE3) 3.077 1.184 1.184 weight 1.000 ! spec=Expt_63, no=103, id=513, vol=1.209557e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 3.871 1.873 1.873 weight 1.000 ! spec=Expt_63, no=105, id=514, vol=8.905733e+04
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   27 and name   HN) 3.930 1.930 1.930 weight 1.000 ! spec=Expt_63, no=106, id=515, vol=4.717459e+04
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   27 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   27 and name   HN)
assign (segid "   A" and resid   14 and name   HB) (segid "   A" and resid   14 and name   HN) 3.036 1.152 1.152 weight 1.000 ! spec=Expt_63, no=108, id=516, vol=9.435386e+04
assign (segid "   A" and resid   14 and name HG22) (segid "   A" and resid   14 and name   HN) 3.344 1.398 1.398 weight 1.000 ! spec=Expt_63, no=110, id=518, vol=1.014405e+05
    or (segid "   A" and resid   14 and name HG21) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   14 and name HG23) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   14 and name   HN) 3.524 1.552 1.552 weight 1.000 ! spec=Expt_63, no=112, id=520, vol=7.389097e+04
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   14 and name   HN) 3.545 1.571 1.571 weight 1.000 ! spec=Expt_63, no=114, id=522, vol=6.042142e+04
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name   HN) 2.402 0.721 0.721 weight 1.000 ! spec=Expt_63, no=115, id=523, vol=3.408041e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   14 and name   HN) 3.804 1.808 1.808 weight 1.000 ! spec=Expt_63, no=116, id=524, vol=5.567200e+04
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 4.563 2.602 2.602 weight 1.000 ! spec=Expt_63, no=119, id=526, vol=3.350627e+04
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   25 and name   HA) 3.961 1.961 1.961 weight 1.000 ! spec=Expt_63, no=120, id=527, vol=4.903078e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   B" and resid   75 and name   HG) 4.030 2.030 2.030 weight 1.000 ! spec=Expt_63, no=121, id=528, vol=3.790886e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_63, no=127, id=530, vol=8.013198e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.853 1.856 1.856 weight 1.000 ! spec=Expt_63, no=128, id=531, vol=8.099240e+04
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=Expt_63, no=129, id=532, vol=1.901180e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.933 1.075 1.075 weight 1.000 ! spec=Expt_63, no=131, id=533, vol=1.148092e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HN) 2.400 0.720 0.720 weight 1.000 ! spec=Expt_63, no=133, id=534, vol=4.097389e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name   HN) 3.747 1.755 1.755 weight 1.000 ! spec=Expt_63, no=134, id=535, vol=9.417121e+04
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   28 and name   HN) 4.750 2.820 2.820 weight 1.000 ! spec=Expt_63, no=136, id=536, vol=4.150435e+04
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name   HN) 3.420 1.462 1.462 weight 1.000 ! spec=Expt_63, no=137, id=537, vol=6.619053e+04
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name   HN) 3.286 1.350 1.350 weight 1.000 ! spec=Expt_63, no=139, id=539, vol=6.509698e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name   HN) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_63, no=142, id=540, vol=1.016083e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HD1) 4.521 2.555 2.555 weight 1.000 ! spec=Expt_63, no=143, id=541, vol=3.079028e+04
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG22) 3.986 1.986 1.986 weight 1.000 ! spec=Expt_63, no=146, id=543, vol=5.605763e+04
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG23)
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name HG21)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   20 and name   HN) 3.036 1.152 1.152 weight 1.000 ! spec=Expt_63, no=147, id=544, vol=2.864368e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   20 and name   HN) 2.102 0.552 0.552 weight 1.000 ! spec=Expt_63, no=148, id=545, vol=2.778733e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name   HN) 2.964 1.098 1.098 weight 1.000 ! spec=Expt_63, no=149, id=546, vol=1.245860e+05
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name   HN) 2.722 0.926 0.926 weight 1.000 ! spec=Expt_63, no=150, id=547, vol=2.634745e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.944 1.084 1.084 weight 1.000 ! spec=Expt_63, no=152, id=548, vol=9.573512e+04
assign (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   16 and name  HB1) 3.615 1.634 1.634 weight 1.000 ! spec=Expt_63, no=163, id=551, vol=6.218283e+04
assign (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   17 and name HE22) 1.738 0.378 0.378 weight 1.000 ! spec=Expt_63, no=164, id=552, vol=6.040738e+05
# Restraints file 2: ambig.tbl
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HE3) 3.894 1.895 1.895 weight 1.000 ! spec=Expt_15, no=18, id=13, vol=6.259041e+05
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   27 and name  HD1)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   15 and name HG13) 2.823 0.997 0.997 weight 1.000 ! spec=Expt_15, no=39, id=26, vol=2.013750e+06
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   15 and name HG12)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name HG21)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name HG23)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name HG22)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 3.029 1.147 1.147 weight 1.000 ! spec=Expt_15, no=54, id=34, vol=7.407230e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB1)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.745 0.942 0.942 weight 1.000 ! spec=Expt_15, no=70, id=41, vol=2.096405e+06
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB1)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB2) 2.440 0.744 0.744 weight 1.000 ! spec=Expt_15, no=79, id=46, vol=2.952164e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG21) 2.364 0.699 0.699 weight 1.000 ! spec=Expt_15, no=102, id=58, vol=1.731317e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG13)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   25 and name   HN) 3.669 1.683 1.683 weight 1.000 ! spec=Expt_15, no=107, id=62, vol=5.824671e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HG2) 3.688 1.700 1.700 weight 1.000 ! spec=Expt_15, no=115, id=65, vol=4.741049e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   13 and name  HG1)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HG2) 2.879 1.036 1.036 weight 1.000 ! spec=Expt_15, no=122, id=71, vol=1.685166e+06
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HG1)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   29 and name   HN) 3.666 1.680 1.680 weight 1.000 ! spec=Expt_15, no=138, id=77, vol=4.332220e+05
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HG2) 3.181 1.265 1.265 weight 1.000 ! spec=Expt_15, no=141, id=79, vol=1.731588e+06
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HG1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HD1) 4.985 3.106 3.106 weight 1.000 ! spec=Expt_15, no=154, id=90, vol=3.162943e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HB2)
assign (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HG2) 3.050 1.163 1.163 weight 1.000 ! spec=Expt_15, no=155, id=91, vol=6.997946e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HG1)
assign (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HB2) 4.970 3.087 3.087 weight 1.000 ! spec=Expt_15, no=156, id=92, vol=3.352347e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HD1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HB1) 4.430 2.453 2.453 weight 1.000 ! spec=Expt_15, no=157, id=93, vol=3.570961e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HD2)
assign (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HB1) 3.892 1.894 1.894 weight 1.000 ! spec=Expt_15, no=158, id=94, vol=4.520706e+05
    or (segid "   A" and resid   22 and name  HB1) (segid "   B" and resid   73 and name  HD2)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HB1) 3.639 1.656 1.656 weight 1.000 ! spec=Expt_16, no=55, id=139, vol=2.308149e+06
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HG1)
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HB1) 4.427 2.450 2.450 weight 1.000 ! spec=Expt_16, no=56, id=140, vol=1.308103e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HG2)
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HG1)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HG1) 2.061 0.531 0.531 weight 1.000 ! spec=Expt_16, no=58, id=142, vol=1.064793e+07
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   30 and name  HG2)
assign (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD2) 3.424 1.465 1.465 weight 1.000 ! spec=Expt_16, no=67, id=148, vol=1.464549e+06
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   10 and name  HD1) 3.725 1.735 1.735 weight 1.000 ! spec=Expt_16, no=69, id=150, vol=1.870262e+06
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   28 and name  HB2)
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   29 and name  HB2) (segid "   B" and resid   40 and name  HB2)
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name  HD1) 2.431 0.739 0.739 weight 1.000 ! spec=Expt_16, no=74, id=154, vol=4.559447e+06
    or (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name  HD2)
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HG2) 4.018 2.018 2.018 weight 1.000 ! spec=Expt_16, no=75, id=155, vol=1.215623e+06
    or (segid "   A" and resid   30 and name  HD2) (segid "   A" and resid   29 and name  HG1)
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HG1) 5.129 3.288 3.288 weight 1.000 ! spec=Expt_16, no=76, id=156, vol=6.698185e+05
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   29 and name  HG2)
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name   HA) 3.219 1.296 1.296 weight 1.000 ! spec=Expt_16, no=78, id=157, vol=3.053912e+06
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name   HA)
assign (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   30 and name  HD2) 3.421 1.463 1.463 weight 1.000 ! spec=Expt_16, no=80, id=158, vol=5.568596e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   30 and name  HD2)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HD1) 2.524 0.796 0.796 weight 1.000 ! spec=Expt_16, no=82, id=159, vol=3.724305e+06
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HD2)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HG1) 2.340 0.685 0.685 weight 1.000 ! spec=Expt_16, no=84, id=160, vol=6.431640e+06
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HG2)
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name  HD2) 2.268 0.643 0.643 weight 1.000 ! spec=Expt_16, no=86, id=161, vol=8.105567e+06
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name  HD2)
    or (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name  HD1)
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD2) 2.870 1.030 1.030 weight 1.000 ! spec=Expt_16, no=87, id=162, vol=2.217284e+06
    or (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   29 and name  HD1)
assign (segid "   A" and resid   29 and name  HG1) (segid "   A" and resid   29 and name   HN) 3.485 1.518 1.518 weight 1.000 ! spec=Expt_16, no=88, id=163, vol=5.448512e+05
    or (segid "   A" and resid   29 and name  HG2) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name   HE) 2.973 1.105 1.105 weight 1.000 ! spec=Expt_16, no=111, id=182, vol=8.616045e+05
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   27 and name   HN)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name   HE) 3.837 1.840 1.840 weight 1.000 ! spec=Expt_16, no=112, id=183, vol=8.204521e+05
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   27 and name   HN)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name   HE) 3.616 1.635 1.635 weight 1.000 ! spec=Expt_16, no=115, id=185, vol=4.674685e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name   HE)
assign (segid "   A" and resid   26 and name  HD2) (segid "   B" and resid   69 and name  HB1) 3.970 1.970 1.970 weight 1.000 ! spec=Expt_16, no=121, id=188, vol=8.071786e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   B" and resid   69 and name  HB2)
    or (segid "   A" and resid   26 and name  HD1) (segid "   B" and resid   69 and name  HB1)
assign (segid "   A" and resid   26 and name  HG2) (segid "   B" and resid   69 and name  HB1) 2.874 1.032 1.032 weight 1.000 ! spec=Expt_16, no=122, id=189, vol=1.526679e+06
    or (segid "   A" and resid   26 and name  HG2) (segid "   B" and resid   69 and name  HB2)
assign (segid "   A" and resid   26 and name  HB2) (segid "   B" and resid   69 and name  HB1) 4.185 2.189 2.189 weight 1.000 ! spec=Expt_16, no=124, id=190, vol=6.254559e+05
    or (segid "   A" and resid   26 and name  HB2) (segid "   B" and resid   69 and name  HB2)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HD1) 2.946 1.085 1.085 weight 1.000 ! spec=Expt_16, no=125, id=191, vol=2.277505e+06
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HD2)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD2) 2.793 0.975 0.975 weight 1.000 ! spec=Expt_16, no=126, id=192, vol=2.093471e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HD1) 2.471 0.763 0.763 weight 1.000 ! spec=Expt_16, no=128, id=194, vol=5.177440e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   26 and name  HD2) 2.217 0.614 0.614 weight 1.000 ! spec=Expt_16, no=129, id=195, vol=6.955093e+06
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HD2)
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   26 and name  HD1)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG13) 3.146 1.237 1.237 weight 1.000 ! spec=Expt_16, no=130, id=196, vol=1.366669e+06
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name HG12)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG13)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG11)
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name HG12)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG1) 2.343 0.686 0.686 weight 1.000 ! spec=Expt_16, no=134, id=200, vol=5.287508e+06
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HG2) 2.406 0.724 0.724 weight 1.000 ! spec=Expt_16, no=135, id=201, vol=4.934064e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HG1)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   25 and name   HN) 2.667 0.889 0.889 weight 1.000 ! spec=Expt_16, no=147, id=209, vol=3.872270e+06
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   99 and name  HE2) 2.615 0.855 0.855 weight 1.000 ! spec=Expt_16, no=150, id=211, vol=3.098515e+06
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   99 and name   HZ)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   99 and name   HZ)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   99 and name   HZ)
assign (segid "   A" and resid   24 and name HG21) (segid "   B" and resid   71 and name   HB) 3.347 1.400 1.400 weight 1.000 ! spec=Expt_16, no=175, id=226, vol=1.114524e+06
    or (segid "   A" and resid   24 and name HG23) (segid "   B" and resid   71 and name   HB)
    or (segid "   A" and resid   24 and name HG22) (segid "   B" and resid   71 and name   HB)
    or (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   22 and name  HB2)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   22 and name  HB2)
assign (segid "   A" and resid   24 and name HG13) (segid "   B" and resid   69 and name  HB2) 2.949 1.087 1.087 weight 1.000 ! spec=Expt_16, no=184, id=228, vol=3.040543e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   B" and resid   69 and name  HB2)
    or (segid "   A" and resid   24 and name HG12) (segid "   B" and resid   69 and name  HB2)
    or (segid "   A" and resid   24 and name HG13) (segid "   B" and resid   69 and name  HB1)
    or (segid "   A" and resid   24 and name HG11) (segid "   B" and resid   69 and name  HB1)
    or (segid "   A" and resid   24 and name HG12) (segid "   B" and resid   69 and name  HB1)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name   HB) 2.026 0.513 0.513 weight 1.000 ! spec=Expt_16, no=200, id=237, vol=6.033674e+06
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   25 and name   HB)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   25 and name   HB)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   25 and name   HB)
assign (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   25 and name   HN) 3.737 1.746 1.746 weight 1.000 ! spec=Expt_16, no=274, id=287, vol=8.794299e+05
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   26 and name   HN) 2.763 0.954 0.954 weight 1.000 ! spec=Expt_16, no=281, id=293, vol=3.525211e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   25 and name   HN)
assign (segid "   A" and resid   14 and name HG22) (segid "   A" and resid   15 and name   HN) 2.669 0.890 0.890 weight 1.000 ! spec=Expt_16, no=284, id=296, vol=3.032734e+06
    or (segid "   A" and resid   14 and name HG21) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   14 and name HG23) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   20 and name  HB1) 2.874 1.033 1.033 weight 1.000 ! spec=Expt_16, no=286, id=297, vol=2.349194e+06
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   20 and name  HB1)
    or (segid "   A" and resid   21 and name HG22) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   21 and name HG23) (segid "   A" and resid   20 and name  HB2)
    or (segid "   A" and resid   21 and name HG21) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HD1) 2.997 1.123 1.123 weight 1.000 ! spec=Expt_16, no=320, id=317, vol=1.063305e+06
    or (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HG2) 2.147 0.576 0.576 weight 1.000 ! spec=Expt_16, no=328, id=323, vol=9.947438e+06
    or (segid "   A" and resid   30 and name  HD1) (segid "   A" and resid   30 and name  HG1)
assign (segid "   A" and resid   10 and name  HG2) (segid "   A" and resid   29 and name   HN) 5.057 3.197 3.197 weight 1.000 ! spec=Expt_16, no=330, id=324, vol=5.042170e+05
    or (segid "   A" and resid   10 and name  HG1) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   30 and name  HG2) (segid "   A" and resid   29 and name   HN)
    or (segid "   A" and resid   30 and name  HG1) (segid "   A" and resid   29 and name   HN)
assign (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HE1) 4.385 2.404 2.404 weight 1.000 ! spec=Expt_16, no=337, id=325, vol=4.109227e+05
    or (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HE2)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HE1)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HE2)
    or (segid "   A" and resid   30 and name  HG1) (segid "   B" and resid   89 and name HE21)
assign (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   85 and name   HG) 3.132 1.226 1.226 weight 1.000 ! spec=Expt_16, no=349, id=326, vol=1.213119e+06
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   85 and name   HG)
assign (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HD1) 4.565 2.605 2.605 weight 1.000 ! spec=Expt_16, no=351, id=327, vol=3.710925e+05
    or (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HD2)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HD1)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HD2)
assign (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HG1) 2.274 0.647 0.647 weight 1.000 ! spec=Expt_16, no=354, id=329, vol=6.612010e+06
    or (segid "   A" and resid   26 and name  HB1) (segid "   A" and resid   26 and name  HG2)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   26 and name  HG2)
assign (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HG1) 2.756 0.949 0.949 weight 1.000 ! spec=Expt_16, no=367, id=336, vol=1.965348e+06
    or (segid "   A" and resid   13 and name  HB2) (segid "   A" and resid   13 and name  HG2)
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HB1) 2.799 0.980 0.980 weight 1.000 ! spec=Expt_16, no=368, id=337, vol=1.837004e+06
    or (segid "   A" and resid   13 and name  HG2) (segid "   A" and resid   13 and name  HB1)
assign (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HD1) 4.016 2.016 2.016 weight 1.000 ! spec=Expt_16, no=371, id=340, vol=4.997008e+05
    or (segid "   A" and resid   13 and name  HB1) (segid "   A" and resid   13 and name  HD2)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HG1) 2.471 0.763 0.763 weight 1.000 ! spec=Expt_16, no=387, id=352, vol=4.370213e+06
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name  HG2)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG2) 2.244 0.630 0.630 weight 1.000 ! spec=Expt_16, no=389, id=354, vol=6.533000e+06
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name  HG1)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   13 and name  HB1) 4.492 2.522 2.522 weight 1.000 ! spec=Expt_16, no=407, id=369, vol=4.773336e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   B" and resid   85 and name  HB2)
assign (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   99 and name  HE2) 3.676 1.689 1.689 weight 1.000 ! spec=Expt_16, no=413, id=375, vol=5.282942e+05
    or (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name   HB) (segid "   B" and resid   99 and name   HZ)
assign (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   15 and name   HA) 4.159 2.162 2.162 weight 1.000 ! spec=Expt_16, no=423, id=379, vol=8.123231e+05
    or (segid "   A" and resid   24 and name   HB) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   15 and name HG13) (segid "   A" and resid   15 and name   HB) 2.068 0.535 0.535 weight 1.000 ! spec=Expt_16, no=429, id=383, vol=5.298664e+06
    or (segid "   A" and resid   15 and name HG11) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG12) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG21) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG23) (segid "   A" and resid   15 and name   HB)
    or (segid "   A" and resid   15 and name HG22) (segid "   A" and resid   15 and name   HB)
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HG1) 2.213 0.612 0.612 weight 1.000 ! spec=Expt_16, no=438, id=388, vol=1.008378e+07
    or (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name  HG2)
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG1) 2.360 0.696 0.696 weight 1.000 ! spec=Expt_16, no=439, id=389, vol=6.334862e+06
    or (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HG2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   21 and name   HN) 3.456 1.493 1.493 weight 1.000 ! spec=Expt_16, no=444, id=392, vol=8.385672e+05
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   24 and name   HA) 4.146 2.149 2.149 weight 1.000 ! spec=Expt_16, no=466, id=401, vol=4.714152e+05
    or (segid "   A" and resid   23 and name   HB) (segid "   A" and resid   25 and name   HA)
assign (segid "   A" and resid   23 and name   HB) (segid "   B" and resid  101 and name  HD1) 4.608 2.654 2.654 weight 1.000 ! spec=Expt_16, no=467, id=402, vol=2.445221e+05
    or (segid "   A" and resid   23 and name   HB) (segid "   B" and resid  101 and name  HD2)
    or (segid "   A" and resid   23 and name   HB) (segid "   B" and resid  101 and name  HE1)
    or (segid "   A" and resid   23 and name   HB) (segid "   B" and resid  101 and name  HE2)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   24 and name   HB) 4.027 2.027 2.027 weight 1.000 ! spec=Expt_16, no=468, id=403, vol=3.979707e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   24 and name   HB)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   16 and name  HB2) 3.708 1.719 1.719 weight 1.000 ! spec=Expt_16, no=469, id=404, vol=5.186485e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   14 and name   HB) 4.824 2.909 2.909 weight 1.000 ! spec=Expt_16, no=472, id=405, vol=2.323320e+05
    or (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   14 and name   HB)
assign (segid "   A" and resid   29 and name  HD2) (segid "   B" and resid   42 and name HD12) 4.143 2.146 2.146 weight 1.000 ! spec=Expt_16, no=473, id=406, vol=3.443347e+05
    or (segid "   A" and resid   29 and name  HD2) (segid "   B" and resid   42 and name HD11)
    or (segid "   A" and resid   29 and name  HD2) (segid "   B" and resid   42 and name HD13)
    or (segid "   A" and resid   29 and name  HD1) (segid "   B" and resid   42 and name HD12)
    or (segid "   A" and resid   29 and name  HD1) (segid "   B" and resid   42 and name HD11)
    or (segid "   A" and resid   29 and name  HD1) (segid "   B" and resid   42 and name HD13)
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   30 and name  HB2) 4.711 2.774 2.774 weight 1.000 ! spec=Expt_16, no=474, id=407, vol=4.722198e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   B" and resid   68 and name  HB1)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   30 and name  HB2)
    or (segid "   A" and resid   29 and name  HD2) (segid "   B" and resid   68 and name  HB1)
assign (segid "   A" and resid   29 and name  HD1) (segid "   A" and resid   10 and name  HB1) 4.074 2.075 2.075 weight 1.000 ! spec=Expt_16, no=475, id=408, vol=4.563616e+05
    or (segid "   A" and resid   29 and name  HD1) (segid "   B" and resid   68 and name  HB2)
    or (segid "   A" and resid   29 and name  HD2) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   29 and name  HD2) (segid "   B" and resid   68 and name  HB2)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   15 and name   HA) 4.401 2.421 2.421 weight 1.000 ! spec=Expt_16, no=488, id=418, vol=8.534770e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   23 and name   HA)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name  HB1) 3.986 1.986 1.986 weight 1.000 ! spec=Expt_16, no=493, id=423, vol=1.884070e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   16 and name  HB1)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=Expt_16, no=494, id=424, vol=1.964384e+06
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG21) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG23) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   24 and name HG22) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   13 and name  HG1) (segid "   A" and resid   13 and name  HD1) 2.205 0.608 0.608 weight 1.000 ! spec=Expt_16, no=500, id=427, vol=6.237427e+06
    or (segid "   A" and resid    9 and name  HB1) (segid "   A" and resid   10 and name  HD2)
    or (segid "   A" and resid    9 and name  HB3) (segid "   A" and resid   10 and name  HD2)
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid   10 and name  HD2)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HG1) 2.055 0.528 0.528 weight 1.000 ! spec=Expt_16, no=513, id=436, vol=1.159828e+07
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HG2)
assign (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HG1) 1.959 0.480 0.480 weight 1.000 ! spec=Expt_16, no=514, id=437, vol=1.289722e+07
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HG2)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HD2) 3.346 1.400 1.400 weight 1.000 ! spec=Expt_16, no=519, id=439, vol=2.217331e+06
    or (segid "   B" and resid   39 and name  HD1) (segid "   B" and resid   39 and name  HB1)
assign (segid "   B" and resid   37 and name  HD2) (segid "   B" and resid   37 and name  HG1) 2.520 0.794 0.794 weight 1.000 ! spec=Expt_30, no=17, id=566, vol=2.328232e+06
    or (segid "   B" and resid   37 and name  HD2) (segid "   B" and resid   37 and name  HG2)
assign (segid "   B" and resid   37 and name  HB1) (segid "   B" and resid   37 and name  HG2) 1.980 0.490 0.490 weight 1.000 ! spec=Expt_30, no=19, id=568, vol=1.007782e+07
    or (segid "   B" and resid   37 and name  HB1) (segid "   B" and resid   37 and name  HG1)
assign (segid "   B" and resid   37 and name  HD1) (segid "   B" and resid   37 and name  HB1) 3.562 1.586 1.586 weight 1.000 ! spec=Expt_30, no=21, id=569, vol=9.868884e+05
    or (segid "   B" and resid   39 and name  HD2) (segid "   B" and resid   39 and name  HB1)
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   43 and name  HB2) 4.396 2.416 2.416 weight 1.000 ! spec=Expt_30, no=37, id=582, vol=4.462719e+05
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   43 and name  HB1)
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   87 and name  HB2)
assign (segid "   B" and resid   42 and name HD12) (segid "   A" and resid   29 and name  HB2) 2.793 0.975 0.975 weight 1.000 ! spec=Expt_30, no=45, id=589, vol=1.090741e+06
    or (segid "   B" and resid   42 and name HD11) (segid "   A" and resid   29 and name  HB2)
    or (segid "   B" and resid   42 and name HD13) (segid "   A" and resid   29 and name  HB2)
    or (segid "   B" and resid   42 and name HD12) (segid "   A" and resid   30 and name  HG2)
    or (segid "   B" and resid   42 and name HD11) (segid "   A" and resid   30 and name  HG2)
    or (segid "   B" and resid   42 and name HD13) (segid "   A" and resid   30 and name  HG2)
    or (segid "   B" and resid   42 and name HD12) (segid "   A" and resid   30 and name  HG1)
    or (segid "   B" and resid   42 and name HD11) (segid "   A" and resid   30 and name  HG1)
    or (segid "   B" and resid   42 and name HD13) (segid "   A" and resid   30 and name  HG1)
    or (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   89 and name  HB1)
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   89 and name  HB1)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   89 and name  HB1)
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   87 and name   HA) 4.270 2.279 2.279 weight 1.000 ! spec=Expt_30, no=75, id=612, vol=6.112407e+05
    or (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   41 and name   HA)
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   95 and name   HN) 3.080 1.186 1.186 weight 1.000 ! spec=Expt_30, no=101, id=632, vol=1.046322e+06
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   88 and name   HN)
assign (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   89 and name   HA) 3.047 1.160 1.160 weight 1.000 ! spec=Expt_30, no=107, id=636, vol=1.954538e+06
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   89 and name   HA)
assign (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   88 and name   HB) 2.860 1.022 1.022 weight 1.000 ! spec=Expt_30, no=109, id=638, vol=1.280394e+06
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   88 and name   HB)
assign (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   42 and name HG21) 3.596 1.616 1.616 weight 1.000 ! spec=Expt_30, no=120, id=640, vol=1.091733e+06
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   42 and name HG23)
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   42 and name HG21)
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   42 and name HG22)
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   42 and name HG23)
assign (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HD1) 2.627 0.863 0.863 weight 1.000 ! spec=Expt_30, no=130, id=650, vol=1.398715e+06
    or (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HD2)
assign (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   44 and name  HB1) 2.527 0.798 0.798 weight 1.000 ! spec=Expt_30, no=133, id=653, vol=1.895604e+06
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   44 and name  HB1)
assign (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   46 and name HD12) 3.059 1.170 1.170 weight 1.000 ! spec=Expt_30, no=134, id=654, vol=1.582497e+06
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   46 and name HD12)
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   88 and name HG22) 3.150 1.240 1.240 weight 1.000 ! spec=Expt_30, no=135, id=655, vol=2.404221e+06
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   88 and name HG23)
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   88 and name HG22)
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   88 and name HG23)
    or (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD12) 2.655 0.881 0.881 weight 1.000 ! spec=Expt_30, no=136, id=656, vol=1.396470e+06
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   46 and name HD12)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   46 and name HD13)
assign (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   44 and name  HG2) 2.593 0.841 0.841 weight 1.000 ! spec=Expt_30, no=138, id=658, vol=1.765605e+06
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   44 and name  HG2)
assign (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   44 and name  HD2) 2.523 0.796 0.796 weight 1.000 ! spec=Expt_30, no=140, id=660, vol=1.627621e+06
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   44 and name  HD1)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   44 and name  HD2)
assign (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HE2) 2.962 1.096 1.096 weight 1.000 ! spec=Expt_30, no=144, id=662, vol=6.059134e+05
    or (segid "   B" and resid   44 and name  HG1) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   44 and name  HD2) (segid "   B" and resid   45 and name   HN) 4.297 2.308 2.308 weight 1.000 ! spec=Expt_30, no=150, id=664, vol=6.047200e+05
    or (segid "   B" and resid   44 and name  HD1) (segid "   B" and resid   45 and name   HN)
assign (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD21) 3.777 1.783 1.783 weight 1.000 ! spec=Expt_30, no=159, id=671, vol=3.952116e+05
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD13)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   45 and name  HB1) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD13) 2.686 0.902 0.902 weight 1.000 ! spec=Expt_30, no=160, id=672, vol=4.999920e+05
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD12)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   46 and name   HN) 3.479 1.513 1.513 weight 1.000 ! spec=Expt_30, no=162, id=674, vol=5.995645e+05
    or (segid "   B" and resid   45 and name  HB2) (segid "   B" and resid   45 and name   HN)
assign (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD12) 1.909 0.455 0.455 weight 1.000 ! spec=Expt_30, no=172, id=683, vol=3.888991e+06
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   46 and name   HB) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   61 and name   HN) 3.527 1.555 1.555 weight 1.000 ! spec=Expt_30, no=188, id=697, vol=4.969832e+05
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   48 and name   HN)
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   48 and name   HN) 4.168 2.172 2.172 weight 1.000 ! spec=Expt_30, no=189, id=698, vol=4.462870e+05
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   61 and name   HN)
assign (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD12) 3.269 1.335 1.335 weight 1.000 ! spec=Expt_30, no=199, id=708, vol=5.360747e+05
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HG11)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   85 and name HD21) 3.236 1.309 1.309 weight 1.000 ! spec=Expt_30, no=200, id=709, vol=5.365311e+05
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name  HB1) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HG11) 2.068 0.534 0.534 weight 1.000 ! spec=Expt_30, no=201, id=710, vol=3.045190e+06
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   48 and name   HN) 2.562 0.821 0.821 weight 1.000 ! spec=Expt_30, no=214, id=718, vol=1.765032e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   48 and name   HN)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   47 and name   HN) 3.910 1.911 1.911 weight 1.000 ! spec=Expt_30, no=215, id=719, vol=4.299784e+05
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   47 and name   HN)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   47 and name   HN)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HD2) 2.955 1.092 1.092 weight 1.000 ! spec=Expt_30, no=216, id=720, vol=2.526712e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   49 and name  HH2) 3.948 1.949 1.949 weight 1.000 ! spec=Expt_30, no=217, id=721, vol=5.476426e+05
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   49 and name  HH2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   47 and name   HA) 2.241 0.628 0.628 weight 1.000 ! spec=Expt_30, no=218, id=722, vol=2.084771e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   47 and name   HA)
assign (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HB1) 3.157 1.246 1.246 weight 1.000 ! spec=Expt_30, no=220, id=724, vol=4.589686e+05
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HB1)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HB1)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   49 and name  HB2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   49 and name  HB2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   49 and name  HB2)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   49 and name  HB2)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   49 and name  HB2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   49 and name  HB2)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HB2) 3.139 1.232 1.232 weight 1.000 ! spec=Expt_30, no=221, id=725, vol=5.844626e+05
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HB2)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   47 and name  HB2) 2.281 0.650 0.650 weight 1.000 ! spec=Expt_30, no=222, id=726, vol=3.171106e+06
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   47 and name  HB2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   47 and name  HB2)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   47 and name  HB2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   47 and name  HB2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   47 and name  HB2)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD12) 1.603 0.321 0.321 weight 1.000 ! spec=Expt_30, no=223, id=727, vol=3.406341e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name  HG1) 2.576 0.829 0.829 weight 1.000 ! spec=Expt_30, no=224, id=728, vol=1.562937e+06
    or (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   48 and name  HB1)
assign (segid "   B" and resid   50 and name   HA) (segid "   B" and resid   51 and name  HD1) 2.702 0.912 0.912 weight 1.000 ! spec=Expt_30, no=262, id=759, vol=8.049112e+05
    or (segid "   B" and resid   50 and name   HA) (segid "   B" and resid   51 and name  HD2)
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HE1) 4.254 2.262 2.262 weight 1.000 ! spec=Expt_30, no=274, id=767, vol=3.689829e+05
    or (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HE2)
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   53 and name   HA) 3.321 1.378 1.378 weight 1.000 ! spec=Expt_30, no=275, id=768, vol=1.164433e+06
    or (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   81 and name   HA)
assign (segid "   B" and resid   52 and name  HB1) (segid "   B" and resid   52 and name  HE1) 4.731 2.797 2.797 weight 1.000 ! spec=Expt_30, no=282, id=774, vol=3.958650e+05
    or (segid "   B" and resid   52 and name  HB1) (segid "   B" and resid   52 and name  HE2)
assign (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   52 and name  HE2) 2.992 1.119 1.119 weight 1.000 ! spec=Expt_30, no=283, id=775, vol=3.731442e+05
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   52 and name  HE1)
assign (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   55 and name HG23) 4.269 2.278 2.278 weight 1.000 ! spec=Expt_30, no=287, id=778, vol=5.082142e+05
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   55 and name HG22)
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   79 and name HG21)
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   79 and name HG22)
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   81 and name  HB2)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   71 and name HG21) 2.487 0.773 0.773 weight 1.000 ! spec=Expt_30, no=288, id=779, vol=1.810252e+06
    or (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   71 and name HG23)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG21)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name  HD1) 2.153 0.580 0.580 weight 1.000 ! spec=Expt_30, no=289, id=780, vol=3.586434e+06
    or (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name  HB1)
    or (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name  HD2)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   73 and name  HB1) 2.598 0.844 0.844 weight 1.000 ! spec=Expt_30, no=290, id=781, vol=1.724836e+06
    or (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   73 and name  HD2)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   73 and name  HB1)
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   73 and name  HD2)
assign (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   52 and name  HE2) 2.448 0.749 0.749 weight 1.000 ! spec=Expt_30, no=293, id=784, vol=2.131247e+06
    or (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   52 and name  HE1)
assign (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   74 and name   HN) 4.330 2.344 2.344 weight 1.000 ! spec=Expt_30, no=298, id=789, vol=4.327365e+05
    or (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   74 and name   HN)
assign (segid "   B" and resid   52 and name  HD1) (segid "   B" and resid   52 and name  HE1) 2.248 0.632 0.632 weight 1.000 ! spec=Expt_30, no=299, id=790, vol=3.246375e+06
    or (segid "   B" and resid   52 and name  HD1) (segid "   B" and resid   52 and name  HE2)
assign (segid "   B" and resid   52 and name  HD1) (segid "   B" and resid   82 and name  HG1) 3.168 1.255 1.255 weight 1.000 ! spec=Expt_30, no=300, id=791, vol=4.549368e+05
    or (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   82 and name  HG1)
assign (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   71 and name HG21) 2.345 0.687 0.687 weight 1.000 ! spec=Expt_30, no=301, id=792, vol=2.627081e+06
    or (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   71 and name HG23)
    or (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   71 and name HG21)
    or (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   71 and name HG22)
    or (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   71 and name HG23)
assign (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   73 and name  HG2) 2.198 0.604 0.604 weight 1.000 ! spec=Expt_30, no=302, id=793, vol=4.733271e+06
    or (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   73 and name  HG1)
    or (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   73 and name  HG1)
assign (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   73 and name  HD1) 2.158 0.582 0.582 weight 1.000 ! spec=Expt_30, no=303, id=794, vol=4.869673e+06
    or (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   73 and name  HD1)
assign (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   71 and name   HB) 3.102 1.203 1.203 weight 1.000 ! spec=Expt_30, no=304, id=795, vol=5.876638e+05
    or (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   71 and name   HB)
assign (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG11) 4.068 2.068 2.068 weight 1.000 ! spec=Expt_30, no=351, id=814, vol=4.015217e+05
    or (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG13)
    or (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   54 and name  HB2) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG11) 1.799 0.405 0.405 weight 1.000 ! spec=Expt_30, no=352, id=815, vol=7.104126e+06
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG13)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   55 and name   HB) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name  HD1) 3.317 1.376 1.376 weight 1.000 ! spec=Expt_30, no=372, id=833, vol=8.329952e+05
    or (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name  HD2)
assign (segid "   B" and resid   57 and name  HB2) (segid "   B" and resid   57 and name  HD1) 2.971 1.103 1.103 weight 1.000 ! spec=Expt_30, no=373, id=834, vol=8.948966e+05
    or (segid "   B" and resid   57 and name  HB2) (segid "   B" and resid   57 and name  HD2)
assign (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   58 and name   HN) 4.144 2.146 2.146 weight 1.000 ! spec=Expt_30, no=378, id=836, vol=5.790610e+05
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   58 and name   HN)
assign (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name   HN) 3.457 1.494 1.494 weight 1.000 ! spec=Expt_30, no=379, id=837, vol=3.005874e+05
    or (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name   HN)
assign (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name   HA) 2.840 1.008 1.008 weight 1.000 ! spec=Expt_30, no=381, id=838, vol=1.636393e+06
    or (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name   HA)
assign (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name  HD2) 2.079 0.540 0.540 weight 1.000 ! spec=Expt_30, no=384, id=840, vol=6.565953e+06
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name  HD2)
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name  HD1)
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   58 and name   HN) 3.691 1.703 1.703 weight 1.000 ! spec=Expt_30, no=389, id=845, vol=7.868607e+05
    or (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   59 and name   HN)
assign (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   48 and name  HB2) 4.426 2.448 2.448 weight 1.000 ! spec=Expt_30, no=396, id=852, vol=4.244367e+05
    or (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   57 and name  HB1)
    or (segid "   B" and resid   58 and name  HB1) (segid "   B" and resid   57 and name  HG1)
assign (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   48 and name  HB1) 3.982 1.982 1.982 weight 1.000 ! spec=Expt_30, no=397, id=853, vol=3.849114e+05
    or (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   48 and name  HG1)
    or (segid "   B" and resid   58 and name  HB2) (segid "   B" and resid   50 and name  HB1)
assign (segid "   B" and resid   59 and name  HD1) (segid "   B" and resid   49 and name  HH2) 3.853 1.856 1.856 weight 1.000 ! spec=Expt_30, no=415, id=870, vol=6.077767e+05
    or (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   49 and name  HH2)
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name  HE1) 2.886 1.041 1.041 weight 1.000 ! spec=Expt_30, no=424, id=876, vol=9.011534e+05
    or (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name  HE2)
assign (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   59 and name  HE2) 2.756 0.949 0.949 weight 1.000 ! spec=Expt_30, no=426, id=878, vol=1.929692e+06
    or (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   59 and name  HE1)
assign (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HB1) 2.996 1.122 1.122 weight 1.000 ! spec=Expt_30, no=427, id=879, vol=5.904294e+05
    or (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   59 and name  HB1)
assign (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HB2) 4.239 2.246 2.246 weight 1.000 ! spec=Expt_30, no=428, id=880, vol=4.563798e+05
    or (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   59 and name  HB2)
assign (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG12) 2.987 1.115 1.115 weight 1.000 ! spec=Expt_30, no=429, id=881, vol=9.515674e+05
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HG1) 2.814 0.990 0.990 weight 1.000 ! spec=Expt_30, no=432, id=883, vol=1.090866e+06
    or (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HG2)
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HG2) 2.788 0.972 0.972 weight 1.000 ! spec=Expt_30, no=433, id=884, vol=1.135134e+06
    or (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HG1)
assign (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HD2) 2.856 1.020 1.020 weight 1.000 ! spec=Expt_30, no=434, id=885, vol=1.026701e+06
    or (segid "   B" and resid   59 and name  HB1) (segid "   B" and resid   59 and name  HD1)
assign (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HD1) 2.848 1.014 1.014 weight 1.000 ! spec=Expt_30, no=435, id=886, vol=9.732186e+05
    or (segid "   B" and resid   59 and name  HB2) (segid "   B" and resid   59 and name  HD2)
assign (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   59 and name  HD1) 2.230 0.622 0.622 weight 1.000 ! spec=Expt_30, no=436, id=887, vol=3.582431e+06
    or (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HD2)
    or (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HD1)
assign (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   59 and name   HA) 4.399 2.419 2.419 weight 1.000 ! spec=Expt_30, no=456, id=905, vol=4.350453e+05
    or (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   59 and name   HA)
assign (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   60 and name  HB2) 2.329 0.678 0.678 weight 1.000 ! spec=Expt_30, no=457, id=906, vol=3.928029e+06
    or (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   60 and name  HB1)
assign (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   60 and name  HB2) 2.395 0.717 0.717 weight 1.000 ! spec=Expt_30, no=458, id=907, vol=3.865342e+06
    or (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   60 and name  HB1)
assign (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   46 and name HG21) 3.198 1.279 1.279 weight 1.000 ! spec=Expt_30, no=459, id=908, vol=1.373111e+06
    or (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   48 and name  HB2) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   46 and name HG21) 3.892 1.894 1.894 weight 1.000 ! spec=Expt_30, no=461, id=910, vol=8.499773e+05
    or (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   59 and name  HB1)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   70 and name  HE2) 2.382 0.710 0.710 weight 1.000 ! spec=Expt_30, no=470, id=915, vol=2.139488e+06
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   49 and name  HZ3)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HE1) 3.558 1.583 1.583 weight 1.000 ! spec=Expt_30, no=490, id=929, vol=8.030284e+05
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HE1)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HE1)
    or (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HE2)
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HE2)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HE2)
assign (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HD2) 2.073 0.537 0.537 weight 1.000 ! spec=Expt_30, no=493, id=932, vol=4.047254e+06
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HD2)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HD2)
    or (segid "   B" and resid   62 and name HG23) (segid "   B" and resid   44 and name  HD1)
    or (segid "   B" and resid   62 and name HG22) (segid "   B" and resid   44 and name  HD1)
    or (segid "   B" and resid   62 and name HG21) (segid "   B" and resid   44 and name  HD1)
assign (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   64 and name  HD1) 2.272 0.645 0.645 weight 1.000 ! spec=Expt_30, no=513, id=949, vol=2.076545e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   64 and name  HD1)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   64 and name  HD1)
    or (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   64 and name  HD2)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   64 and name  HD2)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   64 and name  HD1) 4.122 2.124 2.124 weight 1.000 ! spec=Expt_30, no=514, id=950, vol=5.343972e+05
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   64 and name  HD2) 4.124 2.126 2.126 weight 1.000 ! spec=Expt_30, no=515, id=951, vol=4.003074e+05
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   64 and name  HD1)
assign (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   62 and name   HB) 4.141 2.143 2.143 weight 1.000 ! spec=Expt_30, no=516, id=952, vol=4.952191e+05
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   62 and name   HB)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   62 and name   HB)
    or (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   64 and name  HD2)
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   64 and name  HD2)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   64 and name  HD2)
    or (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   64 and name  HD1)
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   64 and name  HD1)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   64 and name  HD1)
assign (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   64 and name  HD1) 3.890 1.891 1.891 weight 1.000 ! spec=Expt_30, no=517, id=953, vol=3.484400e+05
    or (segid "   B" and resid   63 and name   HB) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   63 and name   HB) (segid "   A" and resid   27 and name  HH2) 3.332 1.388 1.388 weight 1.000 ! spec=Expt_30, no=524, id=958, vol=5.344063e+05
    or (segid "   B" and resid   63 and name   HB) (segid "   A" and resid   27 and name  HZ2)
assign (segid "   B" and resid   63 and name HG21) (segid "   A" and resid   27 and name  HZ2) 2.391 0.715 0.715 weight 1.000 ! spec=Expt_30, no=525, id=959, vol=2.692940e+06
    or (segid "   B" and resid   63 and name HG23) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   63 and name HG22) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   63 and name HG21) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   63 and name HG23) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   63 and name HG22) (segid "   A" and resid   27 and name  HH2)
assign (segid "   B" and resid   63 and name HD13) (segid "   A" and resid   27 and name  HZ2) 2.584 0.835 0.835 weight 1.000 ! spec=Expt_30, no=528, id=962, vol=3.127561e+06
    or (segid "   B" and resid   63 and name HD11) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   63 and name HD12) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   63 and name HD13) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   63 and name HD11) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   63 and name HD12) (segid "   A" and resid   27 and name  HH2)
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   64 and name  HD1) 3.640 1.656 1.656 weight 1.000 ! spec=Expt_30, no=554, id=978, vol=1.032837e+06
    or (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   65 and name   HN) 3.024 1.143 1.143 weight 1.000 ! spec=Expt_30, no=559, id=982, vol=1.230577e+06
    or (segid "   B" and resid   64 and name  HB1) (segid "   B" and resid   66 and name   HN)
assign (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   63 and name   HA) 4.569 2.610 2.610 weight 1.000 ! spec=Expt_30, no=564, id=987, vol=5.609659e+05
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   63 and name   HA)
assign (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   64 and name  HD2) 2.430 0.738 0.738 weight 1.000 ! spec=Expt_30, no=566, id=989, vol=2.073131e+06
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   64 and name  HD1)
    or (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   64 and name  HB1) 2.566 0.823 0.823 weight 1.000 ! spec=Expt_30, no=567, id=990, vol=1.444286e+06
    or (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   64 and name  HB1)
assign (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   63 and name HG21) 4.176 2.179 2.179 weight 1.000 ! spec=Expt_30, no=568, id=991, vol=4.918721e+05
    or (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   64 and name  HG2) (segid "   B" and resid   63 and name HG22)
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   63 and name HG21)
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   64 and name  HG1) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   64 and name  HD2) 2.592 0.840 0.840 weight 1.000 ! spec=Expt_30, no=611, id=1026, vol=1.904466e+06
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   64 and name  HD1)
assign (segid "   B" and resid   67 and name HD11) (segid "   B" and resid   67 and name   HN) 3.071 1.179 1.179 weight 1.000 ! spec=Expt_30, no=615, id=1029, vol=1.603518e+06
    or (segid "   B" and resid   67 and name HD12) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD13) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   67 and name   HN)
assign (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   23 and name HG23) 3.752 1.760 1.760 weight 1.000 ! spec=Expt_30, no=654, id=1058, vol=4.631397e+05
    or (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   23 and name HG21)
    or (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   23 and name HG22)
    or (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   72 and name   HB) (segid "   A" and resid   25 and name HG13)
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   70 and name  HE2) 4.297 2.308 2.308 weight 1.000 ! spec=Expt_30, no=657, id=1060, vol=2.647712e+05
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   49 and name  HD1)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD12) 1.823 0.415 0.415 weight 1.000 ! spec=Expt_30, no=669, id=1072, vol=2.318711e+06
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   72 and name HG12)
assign (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   23 and name HG23) 3.653 1.668 1.668 weight 1.000 ! spec=Expt_30, no=673, id=1074, vol=4.858018e+05
    or (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   23 and name HG21)
    or (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   23 and name HG22)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   23 and name HG23)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   23 and name HG21)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   23 and name HG22)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   23 and name HG23)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   23 and name HG21)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   23 and name HG22)
    or (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   72 and name HG22) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   72 and name HG21) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   72 and name HG23) (segid "   A" and resid   25 and name HG13)
assign (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   61 and name  HB2) 2.677 0.896 0.896 weight 1.000 ! spec=Expt_30, no=675, id=1076, vol=2.146799e+06
    or (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   61 and name  HB1)
    or (segid "   B" and resid   72 and name HG22) (segid "   B" and resid   61 and name  HB3)
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   61 and name  HB2)
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   61 and name  HB1)
    or (segid "   B" and resid   72 and name HG21) (segid "   B" and resid   61 and name  HB3)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   61 and name  HB2)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   61 and name  HB1)
    or (segid "   B" and resid   72 and name HG23) (segid "   B" and resid   61 and name  HB3)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG22)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG21)
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   72 and name HG23)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   85 and name  HB1) 3.365 1.415 1.415 weight 1.000 ! spec=Expt_30, no=689, id=1090, vol=5.678106e+05
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   85 and name  HB1)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   85 and name  HB1)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name  HB2) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD12) 2.120 0.562 0.562 weight 1.000 ! spec=Expt_30, no=691, id=1092, vol=2.512149e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   72 and name HD13)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD12) 2.173 0.590 0.590 weight 1.000 ! spec=Expt_30, no=693, id=1093, vol=2.493007e+06
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   72 and name HD13)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD12)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD11)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   73 and name  HB1) 2.717 0.923 0.923 weight 1.000 ! spec=Expt_30, no=700, id=1100, vol=1.324219e+06
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   73 and name  HB1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HG2) 3.021 1.141 1.141 weight 1.000 ! spec=Expt_30, no=703, id=1102, vol=7.165491e+05
    or (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HG1)
assign (segid "   A" and resid   22 and name  HB2) (segid "   B" and resid   73 and name  HD1) 4.707 2.770 2.770 weight 1.000 ! spec=Expt_30, no=705, id=1104, vol=3.084387e+05
    or (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   71 and name   HB)
    or (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   72 and name   HA)
assign (segid "   B" and resid   73 and name  HE1) (segid "   B" and resid   73 and name  HD2) 3.014 1.136 1.136 weight 1.000 ! spec=Expt_30, no=706, id=1105, vol=7.050441e+05
    or (segid "   B" and resid   73 and name  HE2) (segid "   B" and resid   73 and name  HD2)
assign (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name   HA) 3.153 1.243 1.243 weight 1.000 ! spec=Expt_30, no=710, id=1108, vol=4.849384e+05
    or (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name   HA)
assign (segid "   B" and resid   75 and name  HB2) (segid "   A" and resid   21 and name   HA) 3.210 1.288 1.288 weight 1.000 ! spec=Expt_30, no=711, id=1109, vol=6.769511e+05
    or (segid "   B" and resid   75 and name  HB1) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HD1) 3.374 1.423 1.423 weight 1.000 ! spec=Expt_30, no=717, id=1113, vol=1.115513e+06
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HE1)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid  101 and name  HE2)
assign (segid "   B" and resid   75 and name   HG) (segid "   A" and resid   21 and name   HA) 3.783 1.789 1.789 weight 1.000 ! spec=Expt_30, no=719, id=1115, vol=6.767001e+05
    or (segid "   B" and resid   75 and name   HG) (segid "   A" and resid   21 and name   HB)
assign (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name   HG) 2.334 0.681 0.681 weight 1.000 ! spec=Expt_30, no=721, id=1117, vol=2.508498e+06
    or (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name   HG)
assign (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD11) 1.919 0.460 0.460 weight 1.000 ! spec=Expt_30, no=725, id=1118, vol=3.198649e+06
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD23)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD21)
    or (segid "   B" and resid   75 and name   HG) (segid "   B" and resid   75 and name HD22)
assign (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name HD11) 2.248 0.631 0.631 weight 1.000 ! spec=Expt_30, no=726, id=1119, vol=3.398945e+06
    or (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD11)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD23)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD21)
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name HD22)
assign (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   59 and name  HD1) 3.889 1.891 1.891 weight 1.000 ! spec=Expt_30, no=727, id=1120, vol=4.977926e+05
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   59 and name  HD1)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   59 and name  HD1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   59 and name  HD1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   59 and name  HD1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   59 and name  HD1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   59 and name  HD2)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   59 and name  HD2)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   59 and name  HD2)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   76 and name  HB1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   76 and name  HB1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   76 and name  HB1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   76 and name  HD2)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   76 and name  HD2)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   76 and name  HD2)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   76 and name  HD1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   76 and name  HD1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   76 and name  HD1)
assign (segid "   B" and resid   75 and name HD23) (segid "   A" and resid   21 and name   HA) 3.567 1.591 1.591 weight 1.000 ! spec=Expt_30, no=730, id=1123, vol=7.867857e+05
    or (segid "   B" and resid   75 and name HD21) (segid "   A" and resid   21 and name   HA)
    or (segid "   B" and resid   75 and name HD22) (segid "   A" and resid   21 and name   HA)
    or (segid "   B" and resid   75 and name HD11) (segid "   A" and resid   21 and name   HA)
    or (segid "   B" and resid   75 and name HD13) (segid "   A" and resid   21 and name   HA)
    or (segid "   B" and resid   75 and name HD12) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   75 and name HD11) (segid "   A" and resid   23 and name   HA) 3.663 1.677 1.677 weight 1.000 ! spec=Expt_30, no=732, id=1124, vol=7.867857e+05
    or (segid "   B" and resid   75 and name HD13) (segid "   A" and resid   23 and name   HA)
    or (segid "   B" and resid   75 and name HD12) (segid "   A" and resid   23 and name   HA)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   73 and name   HA)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   73 and name   HA)
assign (segid "   B" and resid   75 and name HD11) (segid "   B" and resid  101 and name  HD1) 2.436 0.742 0.742 weight 1.000 ! spec=Expt_30, no=733, id=1125, vol=2.095761e+06
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid  101 and name  HD1)
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid  101 and name  HD1)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   49 and name  HD1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   49 and name  HD1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   49 and name  HD1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   81 and name  HE1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   81 and name  HE2)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   81 and name  HE1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   81 and name  HE2)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   81 and name  HE1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   81 and name  HE2)
assign (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   81 and name  HD1) 3.105 1.205 1.205 weight 1.000 ! spec=Expt_30, no=734, id=1126, vol=8.200907e+05
    or (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   81 and name  HD2)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HE1) 3.364 1.415 1.415 weight 1.000 ! spec=Expt_30, no=754, id=1141, vol=5.817252e+05
    or (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HE2)
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HE1) 3.214 1.291 1.291 weight 1.000 ! spec=Expt_30, no=755, id=1142, vol=6.131533e+05
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HE2)
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HD2) 2.120 0.562 0.562 weight 1.000 ! spec=Expt_30, no=759, id=1145, vol=5.252259e+06
    or (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HD1)
assign (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG21) 2.737 0.936 0.936 weight 1.000 ! spec=Expt_30, no=763, id=1149, vol=1.742717e+06
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   79 and name HG22)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG21)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HD2) 1.937 0.469 0.469 weight 1.000 ! spec=Expt_30, no=764, id=1150, vol=9.452312e+06
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HD1)
assign (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   76 and name   HA) 4.245 2.253 2.253 weight 1.000 ! spec=Expt_30, no=767, id=1152, vol=6.653697e+05
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name   HA)
assign (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name   HN) 4.465 2.492 2.492 weight 1.000 ! spec=Expt_30, no=768, id=1153, vol=3.532510e+05
    or (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   76 and name   HN)
assign (segid "   B" and resid   76 and name  HD1) (segid "   B" and resid   76 and name  HE1) 2.241 0.628 0.628 weight 1.000 ! spec=Expt_30, no=774, id=1156, vol=3.740878e+06
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name  HE2)
    or (segid "   B" and resid   76 and name  HD2) (segid "   B" and resid   76 and name  HE1)
assign (segid "   B" and resid   76 and name  HG2) (segid "   B" and resid   76 and name  HE2) 2.743 0.940 0.940 weight 1.000 ! spec=Expt_30, no=775, id=1157, vol=1.758485e+06
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HE2)
    or (segid "   B" and resid   76 and name  HG1) (segid "   B" and resid   76 and name  HE1)
assign (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   76 and name  HE1) 2.985 1.114 1.114 weight 1.000 ! spec=Expt_30, no=776, id=1158, vol=8.886835e+05
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   76 and name  HE1)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   76 and name  HE1)
    or (segid "   B" and resid   79 and name HG21) (segid "   B" and resid   76 and name  HE2)
    or (segid "   B" and resid   79 and name HG23) (segid "   B" and resid   76 and name  HE2)
    or (segid "   B" and resid   79 and name HG22) (segid "   B" and resid   76 and name  HE2)
assign (segid "   B" and resid   84 and name  HG1) (segid "   B" and resid   84 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=Expt_30, no=792, id=1166, vol=6.321607e+05
    or (segid "   B" and resid   84 and name  HG2) (segid "   B" and resid   84 and name   HA)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name  HG1) 3.460 1.496 1.496 weight 1.000 ! spec=Expt_30, no=798, id=1169, vol=1.057644e+06
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name  HG1)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name  HG1)
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   76 and name  HG2)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   76 and name  HG2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   76 and name  HG2)
assign (segid "   B" and resid   80 and name HG11) (segid "   B" and resid  101 and name   HN) 3.784 1.790 1.790 weight 1.000 ! spec=Expt_30, no=823, id=1185, vol=2.216544e+05
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid  101 and name   HN)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid  101 and name   HN)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid  101 and name   HN)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid  101 and name   HN)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid  101 and name   HN)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   80 and name   HA) 2.289 0.655 0.655 weight 1.000 ! spec=Expt_30, no=824, id=1186, vol=2.475335e+06
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   80 and name   HA)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   80 and name   HA)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid   80 and name   HA)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid   80 and name   HA)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid   80 and name   HA)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name  HE1) 4.336 2.351 2.351 weight 1.000 ! spec=Expt_30, no=826, id=1188, vol=2.772837e+05
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name  HE1)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name  HE1)
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name  HE2)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name  HE2)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name  HE2)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid   52 and name  HE1)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid   52 and name  HE1)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid   52 and name  HE1)
assign (segid "   B" and resid   80 and name HG11) (segid "   B" and resid  100 and name  HB2) 3.430 1.470 1.470 weight 1.000 ! spec=Expt_30, no=827, id=1189, vol=3.583406e+05
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid  100 and name  HB2)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid  100 and name  HB2)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid  100 and name  HB1)
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid  100 and name  HB1)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid  100 and name  HB1)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid  100 and name  HB1)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid  100 and name  HB1)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid  100 and name  HB1)
assign (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG13) 1.833 0.420 0.420 weight 1.000 ! spec=Expt_30, no=828, id=1190, vol=4.819430e+06
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG11)
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG12)
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG21)
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG23)
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   80 and name HG22)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name  HD2) 3.379 1.427 1.427 weight 1.000 ! spec=Expt_30, no=829, id=1191, vol=9.826901e+05
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name  HD2)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name  HD2)
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   52 and name  HD1)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   52 and name  HD1)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   52 and name  HD1)
assign (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   79 and name HG12) 3.200 1.280 1.280 weight 1.000 ! spec=Expt_30, no=831, id=1193, vol=5.107718e+05
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG13) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG11) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG12) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG21) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG23) (segid "   B" and resid   79 and name HG13)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid   79 and name HG12)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid   79 and name HG11)
    or (segid "   B" and resid   80 and name HG22) (segid "   B" and resid   79 and name HG13)
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name  HE1) 3.467 1.503 1.503 weight 1.000 ! spec=Expt_30, no=836, id=1198, vol=8.881510e+05
    or (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   81 and name  HE2)
    or (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid  101 and name  HD1)
    or (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid  101 and name  HD2)
assign (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid  101 and name   HN) 3.503 1.534 1.534 weight 1.000 ! spec=Expt_30, no=838, id=1200, vol=5.701095e+05
    or (segid "   B" and resid   81 and name  HB1) (segid "   B" and resid   82 and name   HN)
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   58 and name  HZ3) 4.339 2.354 2.354 weight 1.000 ! spec=Expt_30, no=846, id=1208, vol=4.514043e+05
    or (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   58 and name  HH2)
    or (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   81 and name  HD1)
    or (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   81 and name  HD2)
assign (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   58 and name  HH2) 3.686 1.698 1.698 weight 1.000 ! spec=Expt_30, no=847, id=1209, vol=7.104302e+05
    or (segid "   B" and resid   82 and name  HG2) (segid "   B" and resid   58 and name  HZ3)
assign (segid "   B" and resid   82 and name  HB2) (segid "   B" and resid   50 and name  HB1) 4.601 2.646 2.646 weight 1.000 ! spec=Expt_30, no=858, id=1217, vol=5.515314e+05
    or (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   82 and name  HB2)
    or (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   82 and name  HB2)
assign (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   82 and name  HB1) 3.859 1.862 1.862 weight 1.000 ! spec=Expt_30, no=859, id=1218, vol=5.856261e+05
    or (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   84 and name   HA) (segid "   B" and resid   84 and name  HB2) 2.336 0.682 0.682 weight 1.000 ! spec=Expt_30, no=875, id=1231, vol=2.523988e+06
    or (segid "   B" and resid   84 and name   HA) (segid "   B" and resid   84 and name  HB1)
assign (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   84 and name  HG2) 2.445 0.747 0.747 weight 1.000 ! spec=Expt_30, no=884, id=1236, vol=1.694391e+06
    or (segid "   B" and resid   84 and name  HB2) (segid "   B" and resid   84 and name  HG1)
    or (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   84 and name  HG1)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HD11) 2.847 1.013 1.013 weight 1.000 ! spec=Expt_30, no=896, id=1247, vol=9.604220e+05
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HG22)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HG21)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name HG23)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HG22)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HG21)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name HG23)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HG22)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HG21)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name HG23)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   46 and name HG23)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD13)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD11)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name HD12)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name HD13)
assign (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   10 and name  HG2) 2.983 1.112 1.112 weight 1.000 ! spec=Expt_30, no=902, id=1253, vol=6.550265e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   10 and name  HG2)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   10 and name  HG2)
    or (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   10 and name  HG1)
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   10 and name  HG1)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   10 and name  HG1)
assign (segid "   B" and resid   85 and name   HG) (segid "   A" and resid   27 and name  HH2) 3.996 1.996 1.996 weight 1.000 ! spec=Expt_30, no=932, id=1277, vol=2.219647e+05
    or (segid "   B" and resid   85 and name   HG) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   27 and name  HZ2) 3.220 1.296 1.296 weight 1.000 ! spec=Expt_30, no=937, id=1279, vol=7.527735e+05
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   27 and name  HZ2)
    or (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   85 and name HD13) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   85 and name HD11) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   85 and name HD12) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   85 and name HD21) (segid "   A" and resid   27 and name  HH2) 3.203 1.283 1.283 weight 1.000 ! spec=Expt_30, no=938, id=1280, vol=3.966548e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   85 and name HD23) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   85 and name HD21) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   85 and name HD22) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   85 and name HD23) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   60 and name   HA) 3.722 1.732 1.732 weight 1.000 ! spec=Expt_30, no=980, id=1313, vol=5.264713e+05
    or (segid "   B" and resid   48 and name  HG2) (segid "   B" and resid   47 and name   HA)
assign (segid "   B" and resid   86 and name HG12) (segid "   B" and resid   85 and name   HN) 4.546 2.584 2.584 weight 1.000 ! spec=Expt_30, no=994, id=1325, vol=3.212557e+05
    or (segid "   B" and resid   86 and name HG12) (segid "   B" and resid   87 and name   HN)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   93 and name   HN) 3.940 1.941 1.941 weight 1.000 ! spec=Expt_30, no=1025, id=1343, vol=3.143268e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   93 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   93 and name   HN)
    or (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   44 and name   HN)
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   44 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   44 and name   HN)
assign (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD11) 2.619 0.857 0.857 weight 1.000 ! spec=Expt_30, no=1035, id=1349, vol=2.852869e+06
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   88 and name   HB) (segid "   B" and resid   88 and name HD13)
    or (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   94 and name  HB1)
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   94 and name  HB1)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   94 and name  HB1)
assign (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HD11) 3.520 1.549 1.549 weight 1.000 ! spec=Expt_30, no=1037, id=1351, vol=1.003849e+06
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HD13)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   88 and name HD11)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   44 and name  HE1) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   87 and name  HB2) 4.009 2.009 2.009 weight 1.000 ! spec=Expt_30, no=1038, id=1352, vol=3.705018e+05
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   88 and name HD11) (segid "   B" and resid   87 and name  HB1)
    or (segid "   B" and resid   88 and name HD12) (segid "   B" and resid   87 and name  HB1)
    or (segid "   B" and resid   88 and name HD13) (segid "   B" and resid   87 and name  HB1)
assign (segid "   B" and resid   41 and name  HB1) (segid "   B" and resid   42 and name   HN) 3.049 1.162 1.162 weight 1.000 ! spec=Expt_30, no=1058, id=1369, vol=6.520809e+05
    or (segid "   B" and resid   41 and name  HB2) (segid "   B" and resid   42 and name   HN)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   87 and name  HB2) 4.262 2.270 2.270 weight 1.000 ! spec=Expt_30, no=1134, id=1409, vol=3.039506e+05
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   87 and name  HB1)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   87 and name  HB1)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   87 and name  HB1)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   86 and name   HN) 3.512 1.541 1.541 weight 1.000 ! spec=Expt_30, no=1143, id=1417, vol=5.285881e+05
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   75 and name   HA) 3.531 1.559 1.559 weight 1.000 ! spec=Expt_30, no=1150, id=1422, vol=4.531466e+05
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   75 and name   HA)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   75 and name   HA)
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   81 and name   HA)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   81 and name   HA)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   81 and name   HA)
assign (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   52 and name  HB2) 3.658 1.673 1.673 weight 1.000 ! spec=Expt_30, no=1151, id=1423, vol=4.276743e+05
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   52 and name  HB2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   52 and name  HB2)
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   52 and name  HG2)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   52 and name  HG2)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   52 and name  HG2)
    or (segid "   B" and resid   79 and name HG12) (segid "   B" and resid   75 and name  HB1)
    or (segid "   B" and resid   79 and name HG11) (segid "   B" and resid   75 and name  HB1)
    or (segid "   B" and resid   79 and name HG13) (segid "   B" and resid   75 and name  HB1)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   98 and name  HG1) 3.683 1.696 1.696 weight 1.000 ! spec=Expt_30, no=1182, id=1442, vol=1.004215e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   98 and name  HG1)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   98 and name  HG1)
    or (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   85 and name  HB1)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   85 and name  HB1)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   85 and name  HB1)
assign (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   95 and name  HB2) 3.637 1.654 1.654 weight 1.000 ! spec=Expt_30, no=1183, id=1443, vol=8.515618e+05
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   95 and name  HB2)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   95 and name  HB2)
    or (segid "   B" and resid   97 and name HG21) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   97 and name HG22) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   97 and name HG23) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   97 and name HG21) (segid "   A" and resid   10 and name  HG2)
    or (segid "   B" and resid   97 and name HG22) (segid "   A" and resid   10 and name  HG2)
    or (segid "   B" and resid   97 and name HG23) (segid "   A" and resid   10 and name  HG2)
    or (segid "   B" and resid   97 and name HG21) (segid "   A" and resid   10 and name  HG1)
    or (segid "   B" and resid   97 and name HG22) (segid "   A" and resid   10 and name  HG1)
    or (segid "   B" and resid   97 and name HG23) (segid "   A" and resid   10 and name  HG1)
assign (segid "   B" and resid   97 and name HG21) (segid "   A" and resid   13 and name  HD2) 2.390 0.714 0.714 weight 1.000 ! spec=Expt_30, no=1193, id=1448, vol=1.480322e+06
    or (segid "   B" and resid   97 and name HG22) (segid "   A" and resid   13 and name  HD2)
    or (segid "   B" and resid   97 and name HG23) (segid "   A" and resid   13 and name  HD2)
    or (segid "   B" and resid   97 and name HG21) (segid "   A" and resid   13 and name  HD1)
    or (segid "   B" and resid   97 and name HG22) (segid "   A" and resid   13 and name  HD1)
    or (segid "   B" and resid   97 and name HG23) (segid "   A" and resid   13 and name  HD1)
assign (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD13) 2.147 0.576 0.576 weight 1.000 ! spec=Expt_30, no=1205, id=1458, vol=2.736820e+06
    or (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD21)
    or (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD22)
    or (segid "   B" and resid   67 and name  HB1) (segid "   B" and resid   67 and name HD23)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   86 and name   HN) 4.072 2.073 2.073 weight 1.000 ! spec=Expt_30, no=1216, id=1464, vol=2.804284e+05
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   47 and name HD12) (segid "   A" and resid   27 and name  HZ3) 2.547 0.811 0.811 weight 1.000 ! spec=Expt_30, no=1219, id=1465, vol=1.155299e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   47 and name HD13) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   47 and name HD21) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   47 and name HD22) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   47 and name HD23) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   49 and name  HZ3) 2.822 0.996 0.996 weight 1.000 ! spec=Expt_30, no=1220, id=1466, vol=1.575653e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   49 and name  HZ3)
assign (segid "   B" and resid   47 and name HD12) (segid "   A" and resid   25 and name   HB) 2.828 1.000 1.000 weight 1.000 ! spec=Expt_30, no=1221, id=1467, vol=8.339328e+05
    or (segid "   B" and resid   47 and name HD11) (segid "   A" and resid   25 and name   HB)
    or (segid "   B" and resid   47 and name HD13) (segid "   A" and resid   25 and name   HB)
    or (segid "   B" and resid   47 and name HD21) (segid "   A" and resid   25 and name   HB)
    or (segid "   B" and resid   47 and name HD22) (segid "   A" and resid   25 and name   HB)
    or (segid "   B" and resid   47 and name HD23) (segid "   A" and resid   25 and name   HB)
assign (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   47 and name   HG) 1.692 0.358 0.358 weight 1.000 ! spec=Expt_30, no=1222, id=1468, vol=6.385977e+06
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   47 and name   HG)
assign (segid "   B" and resid   47 and name HD11) (segid "   A" and resid   25 and name HG12) 2.035 0.518 0.518 weight 1.000 ! spec=Expt_30, no=1223, id=1469, vol=2.366933e+06
    or (segid "   B" and resid   47 and name HD11) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD11) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   47 and name HD12) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   47 and name HD12) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD12) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   47 and name HD13) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   47 and name HD13) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD13) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   47 and name HD22) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   47 and name HD22) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD22) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   47 and name HD21) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   47 and name HD21) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD21) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   47 and name HD23) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   47 and name HD23) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   47 and name HD23) (segid "   A" and resid   25 and name HG13)
assign (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD11) 1.538 0.296 0.296 weight 1.000 ! spec=Expt_30, no=1233, id=1473, vol=8.367829e+06
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD13)
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD23)
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD21)
    or (segid "   B" and resid   67 and name   HG) (segid "   B" and resid   67 and name HD22)
assign (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name  HE2) 3.281 1.345 1.345 weight 1.000 ! spec=Expt_30, no=1242, id=1481, vol=8.162893e+05
    or (segid "   B" and resid   52 and name  HG2) (segid "   B" and resid   52 and name  HE1)
assign (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   47 and name   HG) 2.673 0.893 0.893 weight 1.000 ! spec=Expt_30, no=1262, id=1491, vol=1.546953e+06
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   72 and name HG12)
assign (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name  HB2) 2.023 0.511 0.511 weight 1.000 ! spec=Expt_30, no=1265, id=1494, vol=9.484666e+06
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name  HB2)
assign (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   44 and name  HE2) 4.027 2.027 2.027 weight 1.000 ! spec=Expt_30, no=1287, id=1502, vol=2.871572e+05
    or (segid "   B" and resid   88 and name HG12) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   37 and name  HD1) (segid "   B" and resid   37 and name  HG1) 2.144 0.575 0.575 weight 1.000 ! spec=Expt_30, no=1296, id=1506, vol=5.661455e+06
    or (segid "   B" and resid   37 and name  HD1) (segid "   B" and resid   37 and name  HG2)
assign (segid "   B" and resid   39 and name  HG1) (segid "   B" and resid   39 and name  HD2) 2.369 0.701 0.701 weight 1.000 ! spec=Expt_30, no=1306, id=1508, vol=3.134862e+06
    or (segid "   B" and resid   39 and name  HG2) (segid "   B" and resid   39 and name  HD1)
    or (segid "   B" and resid   39 and name  HG2) (segid "   B" and resid   39 and name  HD2)
assign (segid "   B" and resid   39 and name  HG1) (segid "   B" and resid   40 and name   HN) 4.069 2.070 2.070 weight 1.000 ! spec=Expt_30, no=1309, id=1509, vol=2.297676e+05
    or (segid "   B" and resid   39 and name  HG2) (segid "   B" and resid   40 and name   HN)
assign (segid "   B" and resid   59 and name  HD1) (segid "   B" and resid   59 and name   HA) 4.224 2.231 2.231 weight 1.000 ! spec=Expt_30, no=1348, id=1529, vol=7.294704e+05
    or (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   59 and name   HA)
assign (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   59 and name  HD2) 2.498 0.780 0.780 weight 1.000 ! spec=Expt_30, no=1349, id=1530, vol=1.867037e+06
    or (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HD2)
assign (segid "   B" and resid   59 and name  HE1) (segid "   B" and resid   59 and name  HD1) 2.440 0.744 0.744 weight 1.000 ! spec=Expt_30, no=1350, id=1531, vol=2.030912e+06
    or (segid "   B" and resid   59 and name  HE2) (segid "   B" and resid   59 and name  HD1)
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name  HD1) 2.557 0.817 0.817 weight 1.000 ! spec=Expt_30, no=1351, id=1532, vol=1.849827e+06
    or (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name  HD2)
assign (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   73 and name  HG1) 2.253 0.634 0.634 weight 1.000 ! spec=Expt_30, no=1363, id=1542, vol=4.163729e+06
    or (segid "   B" and resid   73 and name  HD1) (segid "   B" and resid   73 and name  HG2)
assign (segid "   B" and resid   44 and name  HG2) (segid "   B" and resid   44 and name  HD2) 2.035 0.518 0.518 weight 1.000 ! spec=Expt_30, no=1368, id=1545, vol=6.354808e+06
    or (segid "   B" and resid   44 and name  HG2) (segid "   B" and resid   44 and name  HD1)
assign (segid "   B" and resid   52 and name  HD1) (segid "   B" and resid   52 and name  HG1) 2.047 0.524 0.524 weight 1.000 ! spec=Expt_30, no=1369, id=1546, vol=6.251479e+06
    or (segid "   B" and resid   52 and name  HB2) (segid "   B" and resid   52 and name  HD2)
    or (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   52 and name  HG1)
assign (segid "   B" and resid   63 and name HG12) (segid "   A" and resid   25 and name HG21) 3.785 1.790 1.790 weight 1.000 ! spec=Expt_30, no=1385, id=1558, vol=3.878695e+05
    or (segid "   B" and resid   63 and name HG12) (segid "   A" and resid   25 and name HG23)
    or (segid "   B" and resid   63 and name HG12) (segid "   A" and resid   25 and name HG22)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   47 and name   HG)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   67 and name HD13)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   67 and name HD12)
assign (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   94 and name  HB2) 3.507 1.537 1.537 weight 1.000 ! spec=Expt_30, no=1401, id=1571, vol=1.291146e+06
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   94 and name  HB2)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   94 and name  HB2)
    or (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   88 and name HD11)
    or (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   52 and name  HB2) 2.836 1.005 1.005 weight 1.000 ! spec=Expt_30, no=1413, id=1580, vol=7.047340e+05
    or (segid "   B" and resid   80 and name   HB) (segid "   B" and resid   52 and name  HG1)
assign (segid "   B" and resid   39 and name  HB2) (segid "   B" and resid   39 and name  HD2) 3.257 1.326 1.326 weight 1.000 ! spec=Expt_30, no=1429, id=1587, vol=1.210124e+06
    or (segid "   B" and resid   39 and name  HB2) (segid "   B" and resid   39 and name  HD1)
assign (segid "   B" and resid   98 and name  HB1) (segid "   B" and resid   98 and name  HD2) 2.940 1.081 1.081 weight 1.000 ! spec=Expt_30, no=1444, id=1593, vol=1.068195e+06
    or (segid "   B" and resid   98 and name  HB1) (segid "   B" and resid   98 and name  HD1)
assign (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   58 and name  HZ3) 3.689 1.701 1.701 weight 1.000 ! spec=Expt_30, no=1468, id=1612, vol=2.558987e+05
    or (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   58 and name  HH2)
assign (segid "   B" and resid   84 and name  HB2) (segid "   B" and resid   86 and name HD11) 2.867 1.027 1.027 weight 1.000 ! spec=Expt_30, no=1485, id=1623, vol=5.476768e+05
    or (segid "   B" and resid   84 and name  HB2) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   84 and name  HB2) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   86 and name HD13)
assign (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   64 and name  HB1) 4.793 2.871 2.871 weight 1.000 ! spec=Expt_30, no=1489, id=1625, vol=3.530090e+05
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   64 and name  HB1)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   64 and name  HB1)
    or (segid "   B" and resid   67 and name HD11) (segid "   B" and resid   64 and name  HB1)
    or (segid "   B" and resid   67 and name HD12) (segid "   B" and resid   64 and name  HB1)
    or (segid "   B" and resid   67 and name HD13) (segid "   B" and resid   64 and name  HB1)
assign (segid "   B" and resid   38 and name  HB2) (segid "   B" and resid   38 and name  HG1) 2.467 0.761 0.761 weight 1.000 ! spec=Expt_30, no=1510, id=1640, vol=2.654119e+06
    or (segid "   B" and resid   38 and name  HB2) (segid "   B" and resid   38 and name  HG2)
assign (segid "   B" and resid   38 and name  HB1) (segid "   B" and resid   38 and name  HG2) 2.328 0.677 0.677 weight 1.000 ! spec=Expt_30, no=1513, id=1641, vol=3.646222e+06
    or (segid "   B" and resid   38 and name  HB1) (segid "   B" and resid   38 and name  HG1)
assign (segid "   B" and resid   38 and name  HG2) (segid "   B" and resid   39 and name  HD1) 4.312 2.324 2.324 weight 1.000 ! spec=Expt_30, no=1515, id=1642, vol=3.326826e+05
    or (segid "   B" and resid   38 and name  HG1) (segid "   B" and resid   39 and name  HD1)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   96 and name   HB) 1.914 0.458 0.458 weight 1.000 ! spec=Expt_30, no=1529, id=1655, vol=4.666389e+06
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG22) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG21) (segid "   B" and resid   96 and name   HB)
    or (segid "   B" and resid   96 and name HG23) (segid "   B" and resid   96 and name   HB)
assign (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   73 and name  HE2) 3.703 1.714 1.714 weight 1.000 ! spec=Expt_30, no=1554, id=1675, vol=3.715395e+05
    or (segid "   B" and resid   73 and name  HB2) (segid "   B" and resid   73 and name  HE1)
    or (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   65 and name  HA2) 4.782 2.858 2.858 weight 1.000 ! spec=Expt_30, no=1557, id=1677, vol=2.753569e+05
    or (segid "   B" and resid   44 and name  HB2) (segid "   B" and resid   43 and name  HB1)
assign (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   43 and name  HB1) 3.895 1.897 1.897 weight 1.000 ! spec=Expt_30, no=1558, id=1678, vol=2.563047e+05
    or (segid "   B" and resid   44 and name  HB1) (segid "   B" and resid   43 and name  HB2)
assign (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   52 and name   HN) 4.830 2.916 2.916 weight 1.000 ! spec=Expt_30, no=1562, id=1682, vol=2.239502e+05
    or (segid "   B" and resid   82 and name  HG1) (segid "   B" and resid   83 and name   HN)
assign (segid "   B" and resid   99 and name  HB2) (segid "   A" and resid   13 and name  HG1) 4.638 2.689 2.689 weight 1.000 ! spec=Expt_30, no=1616, id=1710, vol=2.643481e+05
    or (segid "   B" and resid   99 and name  HB2) (segid "   A" and resid   13 and name  HG2)
assign (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   44 and name  HE1) 3.212 1.290 1.290 weight 1.000 ! spec=Expt_30, no=1629, id=1718, vol=6.394290e+05
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   44 and name  HE1)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   44 and name  HE1)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HG22)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   44 and name  HE2) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   63 and name   HB) 4.734 2.801 2.801 weight 1.000 ! spec=Expt_30, no=1632, id=1720, vol=2.234948e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   63 and name   HB)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   63 and name   HB)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   63 and name   HB)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   63 and name   HB)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   63 and name   HB)
assign (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   98 and name  HD2) 2.631 0.865 0.865 weight 1.000 ! spec=Expt_30, no=1652, id=1728, vol=1.856370e+06
    or (segid "   B" and resid   98 and name  HB2) (segid "   B" and resid   98 and name  HD1)
assign (segid "   B" and resid   98 and name  HG1) (segid "   B" and resid   98 and name  HD2) 2.182 0.595 0.595 weight 1.000 ! spec=Expt_30, no=1653, id=1729, vol=3.284254e+06
    or (segid "   B" and resid   98 and name  HG1) (segid "   B" and resid   98 and name  HD1)
assign (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   98 and name  HD1) 2.338 0.684 0.684 weight 1.000 ! spec=Expt_30, no=1654, id=1730, vol=2.371773e+06
    or (segid "   B" and resid   98 and name  HG2) (segid "   B" and resid   98 and name  HD2)
assign (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   98 and name  HD1) 3.309 1.368 1.368 weight 1.000 ! spec=Expt_30, no=1655, id=1731, vol=6.455817e+05
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   98 and name  HD1)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   98 and name  HD1)
    or (segid "   B" and resid   96 and name HG11) (segid "   B" and resid   98 and name  HD2)
    or (segid "   B" and resid   96 and name HG13) (segid "   B" and resid   98 and name  HD2)
    or (segid "   B" and resid   96 and name HG12) (segid "   B" and resid   98 and name  HD2)
assign (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   48 and name  HD2) 3.225 1.300 1.300 weight 1.000 ! spec=Expt_30, no=1659, id=1733, vol=1.770463e+06
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   48 and name  HD2)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   48 and name  HD2)
    or (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   86 and name HD11)
    or (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   86 and name HD12)
    or (segid "   B" and resid   48 and name  HD2) (segid "   B" and resid   86 and name HD13)
    or (segid "   B" and resid   63 and name HD13) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   63 and name HD11) (segid "   B" and resid   70 and name  HB2)
    or (segid "   B" and resid   63 and name HD12) (segid "   B" and resid   70 and name  HB2)
assign (segid "   B" and resid   70 and name  HB2) (segid "   A" and resid   27 and name  HH2) 2.959 1.095 1.095 weight 1.000 ! spec=Expt_30, no=1665, id=1739, vol=8.745742e+05
    or (segid "   B" and resid   70 and name  HB2) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   70 and name  HB1) 3.515 1.544 1.544 weight 1.000 ! spec=Expt_30, no=1680, id=1748, vol=6.473130e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   70 and name  HB1)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   70 and name  HB1)
    or (segid "   B" and resid   47 and name   HG) (segid "   B" and resid   70 and name  HB1)
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name  HD2) 2.416 0.730 0.730 weight 1.000 ! spec=Expt_30, no=1681, id=1749, vol=1.949218e+06
    or (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name  HD2)
assign (segid "   B" and resid   48 and name  HG1) (segid "   B" and resid   48 and name  HD1) 2.518 0.792 0.792 weight 1.000 ! spec=Expt_30, no=1682, id=1750, vol=1.594210e+06
    or (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   48 and name  HD1)
assign (segid "   B" and resid   39 and name  HG2) (segid "   B" and resid   39 and name  HD1) 2.292 0.657 0.657 weight 1.000 ! spec=Expt_30, no=1704, id=1769, vol=3.722420e+06
    or (segid "   B" and resid   39 and name  HG1) (segid "   B" and resid   39 and name  HD1)
assign (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   60 and name  HG2) 4.113 2.115 2.115 weight 1.000 ! spec=Expt_30, no=1707, id=1772, vol=4.965013e+05
    or (segid "   B" and resid   48 and name   HA) (segid "   B" and resid   60 and name  HG1)
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   40 and name  HB2) 2.120 0.562 0.562 weight 1.000 ! spec=Expt_31, no=9, id=1781, vol=3.516567e+06
    or (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   40 and name  HB1)
assign (segid "   B" and resid   41 and name  HB2) (segid "   B" and resid   41 and name   HA) 2.185 0.597 0.597 weight 1.000 ! spec=Expt_31, no=11, id=1783, vol=3.232722e+06
    or (segid "   B" and resid   41 and name  HB1) (segid "   B" and resid   41 and name   HA)
assign (segid "   B" and resid   42 and name   HB) (segid "   B" and resid   87 and name  HB2) 2.975 1.107 1.107 weight 1.000 ! spec=Expt_31, no=26, id=1794, vol=7.667708e+05
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   95 and name  HB1)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   95 and name  HB1)
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   88 and name   HB)
assign (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   43 and name   HA) 2.292 0.657 0.657 weight 1.000 ! spec=Expt_31, no=28, id=1796, vol=2.925559e+06
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   43 and name   HA)
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HD1) 3.640 1.656 1.656 weight 1.000 ! spec=Expt_31, no=32, id=1800, vol=3.511327e+05
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HE1) 3.464 1.499 1.499 weight 1.000 ! spec=Expt_31, no=33, id=1801, vol=6.031373e+05
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   46 and name HD12) (segid "   B" and resid   46 and name   HA) 2.345 0.687 0.687 weight 1.000 ! spec=Expt_31, no=55, id=1821, vol=1.590521e+06
    or (segid "   B" and resid   46 and name HD11) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HD13) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HG21) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HG22) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name HG23) (segid "   B" and resid   46 and name   HA)
assign (segid "   B" and resid   53 and name  HB1) (segid "   B" and resid   53 and name   HA) 2.379 0.708 0.708 weight 1.000 ! spec=Expt_31, no=68, id=1830, vol=2.249803e+06
    or (segid "   B" and resid   53 and name  HB2) (segid "   B" and resid   53 and name   HA)
assign (segid "   B" and resid   63 and name   HA) (segid "   B" and resid   64 and name  HD1) 2.134 0.569 0.569 weight 1.000 ! spec=Expt_31, no=92, id=1849, vol=1.934174e+06
    or (segid "   B" and resid   63 and name   HA) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   66 and name   HA) (segid "   B" and resid   67 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=Expt_31, no=103, id=1858, vol=6.528365e+05
    or (segid "   B" and resid   66 and name   HA) (segid "   B" and resid   66 and name   HN)
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   87 and name   HA) 2.398 0.719 0.719 weight 1.000 ! spec=Expt_31, no=110, id=1862, vol=1.180043e+06
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   87 and name   HA)
assign (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   69 and name  HB1) 2.441 0.745 0.745 weight 1.000 ! spec=Expt_31, no=111, id=1863, vol=1.191907e+06
    or (segid "   B" and resid   69 and name   HA) (segid "   B" and resid   69 and name  HB2)
assign (segid "   A" and resid   24 and name HG13) (segid "   B" and resid   69 and name   HA) 3.076 1.183 1.183 weight 1.000 ! spec=Expt_31, no=113, id=1864, vol=5.996708e+05
    or (segid "   A" and resid   24 and name HG11) (segid "   B" and resid   69 and name   HA)
    or (segid "   A" and resid   24 and name HG12) (segid "   B" and resid   69 and name   HA)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   46 and name HD12)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   86 and name HG22) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   86 and name HG21) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   86 and name HG23) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   88 and name HD11)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   87 and name   HA) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   73 and name   HA) 2.200 0.605 0.605 weight 1.000 ! spec=Expt_31, no=136, id=1881, vol=2.191578e+06
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   73 and name   HA)
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   65 and name   HN) 2.962 1.096 1.096 weight 1.000 ! spec=Expt_31, no=223, id=1930, vol=7.008373e+05
    or (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   66 and name   HN)
assign (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   64 and name  HD1) 2.610 0.852 0.852 weight 1.000 ! spec=Expt_31, no=233, id=1936, vol=1.288532e+06
    or (segid "   B" and resid   64 and name  HB2) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   68 and name   HA) (segid "   B" and resid   69 and name   HN) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_31, no=240, id=1943, vol=6.585313e+05
    or (segid "   B" and resid   68 and name   HA) (segid "   A" and resid   27 and name  HZ2)
assign (segid "   B" and resid   37 and name  HD1) (segid "   B" and resid   36 and name   HA) 1.988 0.494 0.494 weight 1.000 ! spec=Expt_31, no=242, id=1945, vol=4.174048e+06
    or (segid "   B" and resid   39 and name  HD2) (segid "   B" and resid   38 and name   HA)
assign (segid "   B" and resid   37 and name  HD2) (segid "   B" and resid   36 and name   HA) 2.256 0.636 0.636 weight 1.000 ! spec=Expt_31, no=243, id=1946, vol=1.908087e+06
    or (segid "   B" and resid   39 and name  HD1) (segid "   B" and resid   38 and name   HA)
assign (segid "   B" and resid  100 and name   HA) (segid "   B" and resid  100 and name  HB2) 2.631 0.865 0.865 weight 1.000 ! spec=Expt_31, no=253, id=1952, vol=1.213148e+06
    or (segid "   B" and resid  100 and name   HA) (segid "   B" and resid  100 and name  HB1)
assign (segid "   B" and resid   38 and name  HG1) (segid "   B" and resid   38 and name   HA) 3.176 1.261 1.261 weight 1.000 ! spec=Expt_31, no=256, id=1954, vol=4.321306e+05
    or (segid "   B" and resid   38 and name  HG2) (segid "   B" and resid   38 and name   HA)
assign (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   85 and name   HA) 2.501 0.782 0.782 weight 1.000 ! spec=Expt_31, no=261, id=1957, vol=7.836145e+05
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   85 and name   HA)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   85 and name   HA)
assign (segid "   B" and resid   94 and name  HB2) (segid "   B" and resid   94 and name   HA) 2.453 0.752 0.752 weight 1.000 ! spec=Expt_31, no=274, id=1963, vol=1.451233e+06
    or (segid "   B" and resid   94 and name  HB1) (segid "   B" and resid   94 and name   HA)
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HG2) 2.793 0.975 0.975 weight 1.000 ! spec=Expt_31, no=284, id=1970, vol=7.031333e+05
    or (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HG1)
assign (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HB1) 2.410 0.726 0.726 weight 1.000 ! spec=Expt_31, no=285, id=1971, vol=1.855536e+06
    or (segid "   B" and resid   60 and name   HA) (segid "   B" and resid   60 and name  HB2)
assign (segid "   B" and resid   98 and name  HD1) (segid "   B" and resid   98 and name   HA) 4.179 2.183 2.183 weight 1.000 ! spec=Expt_31, no=297, id=1980, vol=3.516296e+05
    or (segid "   B" and resid   98 and name  HD2) (segid "   B" and resid   98 and name   HA)
assign (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   45 and name   HA) 3.273 1.339 1.339 weight 1.000 ! spec=Expt_31, no=304, id=1985, vol=3.179469e+05
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   45 and name   HA)
assign (segid "   B" and resid   57 and name  HD1) (segid "   B" and resid   57 and name   HA) 2.936 1.077 1.077 weight 1.000 ! spec=Expt_31, no=314, id=1991, vol=4.648477e+05
    or (segid "   B" and resid   57 and name  HD2) (segid "   B" and resid   57 and name   HA)
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name   HA) 2.368 0.701 0.701 weight 1.000 ! spec=Expt_31, no=315, id=1992, vol=3.157306e+06
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   57 and name   HA)
    or (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name   HA)
assign (segid "   B" and resid   99 and name   HA) (segid "   B" and resid  100 and name  HB2) 3.507 1.537 1.537 weight 1.000 ! spec=Expt_31, no=326, id=2000, vol=3.957387e+05
    or (segid "   B" and resid   99 and name   HA) (segid "   B" and resid  100 and name  HB1)
assign (segid "   B" and resid   90 and name  HB1) (segid "   B" and resid   90 and name   HA) 2.487 0.773 0.773 weight 1.000 ! spec=Expt_31, no=346, id=2017, vol=1.664228e+06
    or (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name   HA)
assign (segid "   B" and resid   52 and name  HD2) (segid "   B" and resid   52 and name   HA) 2.454 0.753 0.753 weight 1.000 ! spec=Expt_31, no=354, id=2022, vol=9.870197e+05
    or (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HB1)
assign (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=Expt_31, no=355, id=2023, vol=1.254999e+06
    or (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   39 and name  HB1) 2.057 0.529 0.529 weight 1.000 ! spec=Expt_31, no=388, id=2049, vol=3.316469e+06
    or (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HB1)
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HG2) 2.935 1.077 1.077 weight 1.000 ! spec=Expt_31, no=389, id=2050, vol=1.766521e+06
    or (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   37 and name  HG1)
assign (segid "   B" and resid   42 and name HD12) (segid "   B" and resid   87 and name  HB2) 3.338 1.392 1.392 weight 1.000 ! spec=Expt_31, no=395, id=2054, vol=9.241292e+05
    or (segid "   B" and resid   42 and name HD11) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   42 and name HD13) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   42 and name HD12)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   42 and name HD13)
assign (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   88 and name HG22) 2.704 0.914 0.914 weight 1.000 ! spec=Expt_31, no=396, id=2055, vol=8.677613e+05
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   88 and name HG23)
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   88 and name HG22)
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   88 and name HG21)
    or (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   88 and name HG23)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name  HG2) 3.815 1.819 1.819 weight 1.000 ! spec=Expt_44, no=8, id=2074, vol=1.066405e+06
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name  HG1)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   39 and name  HD1) 5.150 3.315 3.315 weight 1.000 ! spec=Expt_44, no=12, id=2078, vol=3.109680e+05
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HD2)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HD1) 5.143 3.306 3.306 weight 1.000 ! spec=Expt_44, no=13, id=2079, vol=2.714189e+05
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   39 and name  HD2)
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HB1) 3.388 1.434 1.434 weight 1.000 ! spec=Expt_44, no=15, id=2081, vol=1.063493e+06
    or (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HB2)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   43 and name  HB1) 4.990 3.112 3.112 weight 1.000 ! spec=Expt_44, no=32, id=2091, vol=3.868778e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   65 and name  HA2)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   42 and name   HN) (segid "   A" and resid   30 and name  HD2)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   43 and name  HB2)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   40 and name  HB2) 4.678 2.736 2.736 weight 1.000 ! spec=Expt_44, no=39, id=2096, vol=4.143985e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   40 and name  HB1)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   65 and name  HA1)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   90 and name  HB2) 5.035 3.169 3.169 weight 1.000 ! spec=Expt_44, no=47, id=2102, vol=4.218533e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   44 and name  HB2)
assign (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   43 and name   HN) 2.502 0.783 0.783 weight 1.000 ! spec=Expt_44, no=51, id=2106, vol=5.176381e+06
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   43 and name   HN)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   43 and name   HN) 3.725 1.735 1.735 weight 1.000 ! spec=Expt_44, no=59, id=2113, vol=1.083421e+06
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   88 and name   HN)
assign (segid "   B" and resid   43 and name  HB2) (segid "   B" and resid   44 and name   HN) 2.660 0.884 0.884 weight 1.000 ! spec=Expt_44, no=61, id=2115, vol=5.135031e+06
    or (segid "   B" and resid   43 and name  HB1) (segid "   B" and resid   44 and name   HN)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HD2) 4.590 2.634 2.634 weight 1.000 ! spec=Expt_44, no=73, id=2127, vol=7.444659e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HD1)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HE2) 5.476 3.748 3.748 weight 1.000 ! spec=Expt_44, no=75, id=2129, vol=2.638532e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   46 and name HD12) 3.941 1.941 1.941 weight 1.000 ! spec=Expt_44, no=82, id=2136, vol=9.458299e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   88 and name HD11)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   88 and name HD12)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   88 and name HD13)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   42 and name HD12) 3.705 1.716 1.716 weight 1.000 ! spec=Expt_44, no=83, id=2137, vol=1.543406e+06
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   42 and name HD11)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   42 and name HD13)
    or (segid "   B" and resid   88 and name HG22) (segid "   B" and resid   44 and name   HN)
    or (segid "   B" and resid   88 and name HG21) (segid "   B" and resid   44 and name   HN)
    or (segid "   B" and resid   88 and name HG23) (segid "   B" and resid   44 and name   HN)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HB2) 5.493 3.771 3.771 weight 1.000 ! spec=Expt_44, no=86, id=2140, vol=2.391513e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   89 and name  HG1)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   64 and name  HD2) 4.630 2.679 2.679 weight 1.000 ! spec=Expt_44, no=95, id=2149, vol=3.898339e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   64 and name  HD1)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name  HE2) 5.817 4.229 4.229 weight 1.000 ! spec=Expt_44, no=103, id=2157, vol=2.448796e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name  HE1)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.774 2.849 2.849 weight 1.000 ! spec=Expt_44, no=126, id=2177, vol=4.500505e+05
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   48 and name   HE)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   87 and name  HB2) 4.647 2.699 2.699 weight 1.000 ! spec=Expt_44, no=132, id=2181, vol=4.984794e+05
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   87 and name  HB1)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   88 and name HG11) 4.074 2.075 2.075 weight 1.000 ! spec=Expt_44, no=139, id=2187, vol=1.025204e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   85 and name  HB2)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   86 and name HG11)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name  HB1) 3.314 1.373 1.373 weight 1.000 ! spec=Expt_44, no=140, id=2188, vol=1.540937e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   44 and name  HG1)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name HD21)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name HD22)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name HD23)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   60 and name  HG1) 4.623 2.672 2.672 weight 1.000 ! spec=Expt_44, no=157, id=2203, vol=6.872780e+05
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   60 and name  HG2)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   99 and name  HE2) 4.422 2.444 2.444 weight 1.000 ! spec=Expt_44, no=178, id=2222, vol=4.191705e+05
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   99 and name  HE1)
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   99 and name   HZ)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   84 and name  HG1) 4.706 2.768 2.768 weight 1.000 ! spec=Expt_44, no=184, id=2227, vol=4.802801e+05
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   84 and name  HG2)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   84 and name  HB2) 3.228 1.302 1.302 weight 1.000 ! spec=Expt_44, no=186, id=2229, vol=1.398363e+06
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   84 and name  HB1)
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HZ3) 3.895 1.896 1.896 weight 1.000 ! spec=Expt_44, no=202, id=2242, vol=1.177829e+06
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   49 and name  HD1)
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   60 and name  HG2) 4.723 2.788 2.788 weight 1.000 ! spec=Expt_44, no=211, id=2251, vol=5.853119e+05
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   60 and name  HG1)
assign (segid "   B" and resid   48 and name  HB1) (segid "   B" and resid   49 and name   HN) 3.779 1.785 1.785 weight 1.000 ! spec=Expt_44, no=214, id=2254, vol=1.774778e+06
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   48 and name  HG1)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   50 and name  HB1)
assign (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD11) 4.827 2.913 2.913 weight 1.000 ! spec=Expt_44, no=215, id=2255, vol=3.649926e+05
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD12)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD13)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD22)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD21)
    or (segid "   B" and resid   49 and name   HN) (segid "   B" and resid   47 and name HD23)
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   50 and name  HD2) 5.283 3.489 3.489 weight 1.000 ! spec=Expt_44, no=222, id=2261, vol=3.569272e+05
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   58 and name  HB2)
assign (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD11) 4.837 2.925 2.925 weight 1.000 ! spec=Expt_44, no=246, id=2276, vol=2.295417e+05
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD13)
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD23)
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD21)
    or (segid "   B" and resid   50 and name   HN) (segid "   B" and resid   75 and name HD22)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   52 and name  HE2) 5.672 4.021 4.021 weight 1.000 ! spec=Expt_44, no=250, id=2280, vol=5.980705e+05
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   52 and name  HE1)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   51 and name  HD2) 5.217 3.402 3.402 weight 1.000 ! spec=Expt_44, no=264, id=2288, vol=2.949079e+05
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   51 and name  HD1)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   80 and name   HB) 3.551 1.576 1.576 weight 1.000 ! spec=Expt_44, no=267, id=2291, vol=2.539963e+06
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   81 and name  HB1)
    or (segid "   B" and resid   82 and name  HB1) (segid "   B" and resid   52 and name   HN)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   79 and name HG21) 3.885 1.887 1.887 weight 1.000 ! spec=Expt_44, no=269, id=2292, vol=1.684076e+06
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   79 and name HG22)
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   81 and name  HB2)
assign (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   82 and name   HA) 5.249 3.445 3.445 weight 1.000 ! spec=Expt_44, no=271, id=2294, vol=2.825270e+05
    or (segid "   B" and resid   52 and name   HN) (segid "   B" and resid   50 and name   HA)
assign (segid "   B" and resid   53 and name  HB2) (segid "   B" and resid   53 and name   HN) 2.919 1.065 1.065 weight 1.000 ! spec=Expt_44, no=279, id=2300, vol=2.837970e+06
    or (segid "   B" and resid   53 and name  HB1) (segid "   B" and resid   53 and name   HN)
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   76 and name  HB2) 4.602 2.647 2.647 weight 1.000 ! spec=Expt_44, no=284, id=2304, vol=5.699305e+05
    or (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   81 and name  HB1)
    or (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   82 and name  HB1)
assign (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   50 and name   HN) 5.294 3.503 3.503 weight 1.000 ! spec=Expt_44, no=290, id=2309, vol=3.077689e+05
    or (segid "   B" and resid   53 and name   HN) (segid "   B" and resid   82 and name   HN)
assign (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   51 and name  HD1) 4.728 2.794 2.794 weight 1.000 ! spec=Expt_44, no=319, id=2334, vol=2.464358e+05
    or (segid "   B" and resid   56 and name   HN) (segid "   B" and resid   51 and name  HD2)
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG11) 4.884 2.981 2.981 weight 1.000 ! spec=Expt_44, no=326, id=2335, vol=3.769862e+05
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG13)
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   55 and name HG22)
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   57 and name   HN) 2.257 0.637 0.637 weight 1.000 ! spec=Expt_44, no=327, id=2336, vol=9.047147e+06
    or (segid "   B" and resid   57 and name  HG2) (segid "   B" and resid   57 and name   HN)
assign (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   57 and name  HD2) 4.468 2.495 2.495 weight 1.000 ! spec=Expt_44, no=329, id=2338, vol=9.625518e+05
    or (segid "   B" and resid   57 and name   HN) (segid "   B" and resid   57 and name  HD1)
assign (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   57 and name  HD1) 4.527 2.562 2.562 weight 1.000 ! spec=Expt_44, no=337, id=2346, vol=9.920059e+05
    or (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   57 and name  HD2)
assign (segid "   B" and resid   57 and name  HB1) (segid "   B" and resid   58 and name   HN) 3.206 1.285 1.285 weight 1.000 ! spec=Expt_44, no=342, id=2349, vol=6.523705e+06
    or (segid "   B" and resid   57 and name  HG1) (segid "   B" and resid   58 and name   HN)
assign (segid "   B" and resid   57 and name   HA) (segid "   B" and resid   58 and name   HN) 2.020 0.510 0.510 weight 1.000 ! spec=Expt_44, no=348, id=2351, vol=1.639141e+07
    or (segid "   B" and resid   58 and name   HN) (segid "   B" and resid   58 and name   HA)
assign (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   59 and name   HN) 2.958 1.094 1.094 weight 1.000 ! spec=Expt_44, no=362, id=2358, vol=3.106370e+06
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   50 and name  HB1)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   48 and name  HB2) 3.711 1.721 1.721 weight 1.000 ! spec=Expt_44, no=364, id=2360, vol=2.278713e+06
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   59 and name  HD2)
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   59 and name  HD1)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   60 and name  HG2) 4.009 2.009 2.009 weight 1.000 ! spec=Expt_44, no=365, id=2361, vol=6.743137e+05
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   60 and name  HG1)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   59 and name  HE2) 5.305 3.518 3.518 weight 1.000 ! spec=Expt_44, no=368, id=2364, vol=6.257929e+05
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   59 and name  HE1)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   51 and name  HD1) 5.063 3.204 3.204 weight 1.000 ! spec=Expt_44, no=370, id=2366, vol=2.642242e+05
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   51 and name  HD2)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   49 and name  HZ3) 4.495 2.525 2.525 weight 1.000 ! spec=Expt_44, no=378, id=2372, vol=4.494101e+05
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   49 and name  HD1)
assign (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   49 and name  HE3) 4.710 2.773 2.773 weight 1.000 ! spec=Expt_44, no=379, id=2373, vol=5.033207e+05
    or (segid "   B" and resid   59 and name   HN) (segid "   B" and resid   58 and name  HZ3)
assign (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   60 and name   HN) 2.472 0.764 0.764 weight 1.000 ! spec=Expt_44, no=385, id=2378, vol=8.035082e+06
    or (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   60 and name   HN)
assign (segid "   B" and resid   59 and name  HG2) (segid "   B" and resid   60 and name   HN) 3.790 1.796 1.796 weight 1.000 ! spec=Expt_44, no=389, id=2382, vol=3.082525e+06
    or (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   61 and name  HB2)
    or (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   61 and name  HB1)
    or (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   61 and name  HB3)
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   48 and name  HG1) 3.802 1.807 1.807 weight 1.000 ! spec=Expt_44, no=390, id=2383, vol=2.245261e+06
    or (segid "   B" and resid   59 and name  HG1) (segid "   B" and resid   60 and name   HN)
assign (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   59 and name  HE2) 5.073 3.217 3.217 weight 1.000 ! spec=Expt_44, no=393, id=2385, vol=6.703334e+05
    or (segid "   B" and resid   60 and name   HN) (segid "   B" and resid   59 and name  HE1)
assign (segid "   B" and resid   60 and name  HG2) (segid "   B" and resid   61 and name   HN) 4.056 2.056 2.056 weight 1.000 ! spec=Expt_44, no=420, id=2406, vol=1.905576e+06
    or (segid "   B" and resid   60 and name  HG1) (segid "   B" and resid   61 and name   HN)
assign (segid "   B" and resid   60 and name  HB1) (segid "   B" and resid   61 and name   HN) 2.742 0.940 0.940 weight 1.000 ! spec=Expt_44, no=421, id=2407, vol=4.761250e+06
    or (segid "   B" and resid   60 and name  HB2) (segid "   B" and resid   61 and name   HN)
assign (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   85 and name HD21) 4.518 2.552 2.552 weight 1.000 ! spec=Expt_44, no=429, id=2413, vol=2.669865e+05
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   61 and name   HN) (segid "   B" and resid   72 and name HG11)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   70 and name  HE2) 4.660 2.714 2.714 weight 1.000 ! spec=Expt_44, no=434, id=2418, vol=6.405987e+05
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   49 and name  HZ3)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   47 and name  HB2) 4.449 2.474 2.474 weight 1.000 ! spec=Expt_44, no=440, id=2422, vol=4.777125e+05
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   60 and name  HB2)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   60 and name  HB1)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   44 and name  HD1) 5.083 3.229 3.229 weight 1.000 ! spec=Expt_44, no=441, id=2423, vol=3.192892e+05
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   44 and name  HD2)
assign (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HD12) 4.082 2.083 2.083 weight 1.000 ! spec=Expt_44, no=445, id=2425, vol=8.027805e+05
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HD11)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HD13)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HG21)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HG22)
    or (segid "   B" and resid   62 and name   HN) (segid "   B" and resid   46 and name HG23)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   63 and name   HN) 2.967 1.101 1.101 weight 1.000 ! spec=Expt_44, no=450, id=2430, vol=2.444336e+06
    or (segid "   B" and resid   63 and name HG21) (segid "   B" and resid   63 and name   HN)
    or (segid "   B" and resid   63 and name HG23) (segid "   B" and resid   63 and name   HN)
    or (segid "   B" and resid   63 and name HG22) (segid "   B" and resid   63 and name   HN)
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   62 and name   HB) 3.705 1.716 1.716 weight 1.000 ! spec=Expt_44, no=455, id=2435, vol=1.501979e+06
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   64 and name  HD2)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   64 and name  HG2) 4.888 2.987 2.987 weight 1.000 ! spec=Expt_44, no=464, id=2444, vol=7.950076e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   64 and name  HG1)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   45 and name  HE1) 4.299 2.310 2.310 weight 1.000 ! spec=Expt_44, no=469, id=2449, vol=8.357366e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   45 and name  HE2)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   66 and name  HD2)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD13) 4.218 2.224 2.224 weight 1.000 ! spec=Expt_44, no=476, id=2456, vol=1.256075e+06
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD21)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD22)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   67 and name HD23)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   64 and name  HG2) 5.490 3.768 3.768 weight 1.000 ! spec=Expt_44, no=482, id=2462, vol=3.776171e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   64 and name  HG1)
assign (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   66 and name  HD2) 3.723 1.733 1.733 weight 1.000 ! spec=Expt_44, no=487, id=2467, vol=9.197114e+05
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HE1)
    or (segid "   B" and resid   66 and name   HN) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   67 and name HD11) (segid "   B" and resid   67 and name   HN) 2.850 1.015 1.015 weight 1.000 ! spec=Expt_44, no=491, id=2471, vol=4.939913e+06
    or (segid "   B" and resid   67 and name HD12) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD13) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   67 and name   HN)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   67 and name   HN)
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   64 and name  HG2) 5.364 3.596 3.596 weight 1.000 ! spec=Expt_44, no=497, id=2477, vol=4.639934e+05
    or (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   64 and name  HG1)
assign (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   69 and name  HB1) 4.259 2.267 2.267 weight 1.000 ! spec=Expt_44, no=508, id=2487, vol=5.346641e+05
    or (segid "   B" and resid   68 and name   HN) (segid "   B" and resid   69 and name  HB2)
assign (segid "   B" and resid   67 and name HD11) (segid "   B" and resid   68 and name   HN) 3.360 1.411 1.411 weight 1.000 ! spec=Expt_44, no=515, id=2494, vol=3.433134e+06
    or (segid "   B" and resid   67 and name HD12) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD13) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   68 and name   HN)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   68 and name   HN)
assign (segid "   B" and resid   67 and name HD13) (segid "   B" and resid   69 and name   HN) 3.684 1.697 1.697 weight 1.000 ! spec=Expt_44, no=516, id=2495, vol=2.102559e+06
    or (segid "   B" and resid   67 and name HD11) (segid "   B" and resid   69 and name   HN)
    or (segid "   B" and resid   67 and name HD12) (segid "   B" and resid   69 and name   HN)
    or (segid "   B" and resid   67 and name HD21) (segid "   B" and resid   69 and name   HN)
    or (segid "   B" and resid   67 and name HD22) (segid "   B" and resid   69 and name   HN)
    or (segid "   B" and resid   67 and name HD23) (segid "   B" and resid   69 and name   HN)
assign (segid "   B" and resid   69 and name  HB1) (segid "   B" and resid   70 and name   HN) 2.999 1.124 1.124 weight 1.000 ! spec=Expt_44, no=531, id=2509, vol=3.525299e+06
    or (segid "   B" and resid   69 and name  HB2) (segid "   B" and resid   70 and name   HN)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name HD12) 4.819 2.903 2.903 weight 1.000 ! spec=Expt_44, no=540, id=2518, vol=3.031557e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   72 and name HG11)
assign (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   25 and name HG12) 3.862 1.864 1.864 weight 1.000 ! spec=Expt_44, no=542, id=2520, vol=7.686727e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   25 and name HG13)
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   24 and name HG13)
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   24 and name HG11)
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   24 and name HG12)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD22) 4.554 2.593 2.593 weight 1.000 ! spec=Expt_44, no=543, id=2521, vol=3.943096e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD21)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD23)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD12)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD11)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   47 and name HD13)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HG11) 4.991 3.114 3.114 weight 1.000 ! spec=Expt_44, no=544, id=2522, vol=3.993838e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HG21)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HG23)
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   63 and name HG22)
assign (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   73 and name  HE2) 4.750 2.820 2.820 weight 1.000 ! spec=Expt_44, no=548, id=2525, vol=3.040846e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   B" and resid   73 and name  HE1)
assign (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   27 and name  HH2) 5.429 3.685 3.685 weight 1.000 ! spec=Expt_44, no=555, id=2532, vol=5.431435e+05
    or (segid "   B" and resid   71 and name   HN) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   73 and name   HN) 2.714 0.921 0.921 weight 1.000 ! spec=Expt_44, no=561, id=2538, vol=3.737463e+06
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   73 and name   HN)
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   73 and name  HE2) 4.994 3.118 3.118 weight 1.000 ! spec=Expt_44, no=564, id=2541, vol=3.523377e+05
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   73 and name  HE1)
assign (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name HD12) 3.981 1.981 1.981 weight 1.000 ! spec=Expt_44, no=569, id=2546, vol=1.602896e+06
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name HD13)
    or (segid "   B" and resid   73 and name   HN) (segid "   B" and resid   72 and name HG11)
assign (segid "   B" and resid   73 and name  HG2) (segid "   B" and resid   74 and name   HN) 3.756 1.763 1.763 weight 1.000 ! spec=Expt_44, no=594, id=2566, vol=3.076612e+06
    or (segid "   B" and resid   73 and name  HG1) (segid "   B" and resid   74 and name   HN)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name  HB2)
assign (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD13) 5.018 3.147 3.147 weight 1.000 ! spec=Expt_44, no=597, id=2568, vol=4.067482e+05
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD11)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD12)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD23)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD21)
    or (segid "   B" and resid   74 and name   HN) (segid "   B" and resid   75 and name HD22)
assign (segid "   B" and resid   75 and name HD13) (segid "   B" and resid   75 and name   HN) 3.271 1.337 1.337 weight 1.000 ! spec=Expt_44, no=599, id=2570, vol=1.986077e+06
    or (segid "   B" and resid   75 and name HD11) (segid "   B" and resid   75 and name   HN)
    or (segid "   B" and resid   75 and name HD12) (segid "   B" and resid   75 and name   HN)
    or (segid "   B" and resid   75 and name HD21) (segid "   B" and resid   75 and name   HN)
    or (segid "   B" and resid   75 and name HD23) (segid "   B" and resid   75 and name   HN)
    or (segid "   B" and resid   75 and name HD22) (segid "   B" and resid   75 and name   HN)
assign (segid "   B" and resid   75 and name   HN) (segid "   A" and resid   21 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=Expt_44, no=608, id=2578, vol=4.091527e+06
    or (segid "   A" and resid   21 and name   HB) (segid "   B" and resid   75 and name   HN)
assign (segid "   B" and resid   76 and name   HN) (segid "   A" and resid   21 and name   HB) 3.714 1.724 1.724 weight 1.000 ! spec=Expt_44, no=621, id=2588, vol=8.522895e+05
    or (segid "   B" and resid   76 and name   HN) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HE2) 6.176 4.768 4.768 weight 1.000 ! spec=Expt_44, no=625, id=2590, vol=2.419060e+05
    or (segid "   B" and resid   76 and name   HN) (segid "   B" and resid   76 and name  HE1)
assign (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   76 and name   HN) 2.974 1.105 1.105 weight 1.000 ! spec=Expt_44, no=631, id=2596, vol=3.290182e+06
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   76 and name   HN)
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  100 and name  HB2) 5.140 3.303 3.303 weight 1.000 ! spec=Expt_44, no=659, id=2613, vol=2.266399e+05
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  100 and name  HB1)
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   52 and name  HD1) 4.730 2.797 2.797 weight 1.000 ! spec=Expt_44, no=661, id=2615, vol=2.893070e+05
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   52 and name  HB1)
assign (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  101 and name  HD1) 3.869 1.871 1.871 weight 1.000 ! spec=Expt_44, no=668, id=2620, vol=1.578926e+06
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid  101 and name  HD2)
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   81 and name  HE1)
    or (segid "   B" and resid   81 and name   HN) (segid "   B" and resid   81 and name  HE2)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   52 and name  HG1) 3.541 1.568 1.568 weight 1.000 ! spec=Expt_44, no=675, id=2626, vol=1.326628e+06
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   83 and name  HA1) 4.629 2.678 2.678 weight 1.000 ! spec=Expt_44, no=680, id=2631, vol=3.220624e+05
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid  100 and name  HB1)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   51 and name  HD2) 5.412 3.662 3.662 weight 1.000 ! spec=Expt_44, no=682, id=2633, vol=2.162077e+05
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   51 and name  HD1)
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid  101 and name  HB1)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   49 and name  HB1) 3.075 1.182 1.182 weight 1.000 ! spec=Expt_44, no=683, id=2634, vol=2.959808e+06
    or (segid "   B" and resid   52 and name   HA) (segid "   B" and resid   82 and name   HN)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid  100 and name   HA) 4.656 2.709 2.709 weight 1.000 ! spec=Expt_44, no=689, id=2637, vol=4.087912e+05
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   83 and name  HA2)
assign (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   58 and name  HZ3) 4.270 2.279 2.279 weight 1.000 ! spec=Expt_44, no=692, id=2639, vol=7.072334e+05
    or (segid "   B" and resid   82 and name   HN) (segid "   B" and resid   58 and name  HH2)
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   48 and name  HB1) 5.423 3.676 3.676 weight 1.000 ! spec=Expt_44, no=712, id=2654, vol=3.127328e+05
    or (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   50 and name  HB1)
    or (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   52 and name  HB2)
    or (segid "   B" and resid   52 and name  HG1) (segid "   B" and resid   83 and name   HN)
    or (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   81 and name  HB2) 4.235 2.242 2.242 weight 1.000 ! spec=Expt_44, no=713, id=2655, vol=4.449791e+05
    or (segid "   B" and resid   83 and name   HN) (segid "   A" and resid   25 and name HG21)
    or (segid "   B" and resid   83 and name   HN) (segid "   A" and resid   25 and name HG23)
    or (segid "   B" and resid   83 and name   HN) (segid "   A" and resid   25 and name HG22)
assign (segid "   B" and resid   84 and name  HB2) (segid "   B" and resid   84 and name   HN) 2.842 1.010 1.010 weight 1.000 ! spec=Expt_44, no=714, id=2656, vol=2.567328e+06
    or (segid "   B" and resid   84 and name  HB1) (segid "   B" and resid   84 and name   HN)
assign (segid "   B" and resid   84 and name  HG1) (segid "   B" and resid   84 and name   HN) 3.208 1.286 1.286 weight 1.000 ! spec=Expt_44, no=715, id=2657, vol=1.645081e+06
    or (segid "   B" and resid   84 and name  HG2) (segid "   B" and resid   84 and name   HN)
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   49 and name   HN) 4.093 2.094 2.094 weight 1.000 ! spec=Expt_44, no=719, id=2661, vol=1.444057e+06
    or (segid "   B" and resid   83 and name   HN) (segid "   B" and resid   84 and name   HN)
assign (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD22) 3.307 1.367 1.367 weight 1.000 ! spec=Expt_44, no=736, id=2676, vol=9.294168e+05
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD21)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD23)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD11)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD12)
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   47 and name HD13)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD21) 4.176 2.180 2.180 weight 1.000 ! spec=Expt_44, no=741, id=2679, vol=7.338220e+05
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD23)
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD13)
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   85 and name HD12)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name  HB2) 3.018 1.139 1.139 weight 1.000 ! spec=Expt_44, no=746, id=2683, vol=1.996544e+06
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name  HB1)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name  HG2) 4.245 2.252 2.252 weight 1.000 ! spec=Expt_44, no=748, id=2685, vol=1.135065e+06
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name  HG1)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   96 and name   HA) 4.111 2.113 2.113 weight 1.000 ! spec=Expt_44, no=750, id=2687, vol=8.891184e+05
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   97 and name   HA)
assign (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   48 and name   HN) 4.024 2.024 2.024 weight 1.000 ! spec=Expt_44, no=757, id=2694, vol=9.127033e+05
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   84 and name   HN)
assign (segid "   B" and resid   86 and name   HN) (segid "   B" and resid   87 and name   HN) 4.018 2.018 2.018 weight 1.000 ! spec=Expt_44, no=760, id=2696, vol=7.342449e+05
    or (segid "   B" and resid   85 and name   HN) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   85 and name HD13) (segid "   B" and resid   86 and name   HN) 3.140 1.232 1.232 weight 1.000 ! spec=Expt_44, no=766, id=2702, vol=1.710297e+06
    or (segid "   B" and resid   85 and name HD11) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD12) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD21) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD22) (segid "   B" and resid   86 and name   HN)
    or (segid "   B" and resid   85 and name HD23) (segid "   B" and resid   86 and name   HN)
assign (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   95 and name  HG2) 4.888 2.987 2.987 weight 1.000 ! spec=Expt_44, no=786, id=2721, vol=5.106281e+05
    or (segid "   B" and resid   87 and name   HN) (segid "   B" and resid   95 and name  HG1)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   88 and name   HN) 4.418 2.440 2.440 weight 1.000 ! spec=Expt_44, no=803, id=2737, vol=6.229582e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   46 and name   HN)
assign (segid "   B" and resid   42 and name HG12) (segid "   B" and resid   88 and name   HN) 3.688 1.701 1.701 weight 1.000 ! spec=Expt_44, no=817, id=2750, vol=9.128768e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   44 and name  HG1)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD13) 5.281 3.486 3.486 weight 1.000 ! spec=Expt_44, no=821, id=2754, vol=2.090648e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD12)
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   45 and name  HB2) 4.562 2.601 2.601 weight 1.000 ! spec=Expt_44, no=822, id=2755, vol=3.973478e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   89 and name  HG1)
assign (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   89 and name  HB1) 4.648 2.701 2.701 weight 1.000 ! spec=Expt_44, no=823, id=2756, vol=4.705934e+05
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   44 and name  HB1)
    or (segid "   B" and resid   88 and name   HN) (segid "   B" and resid   86 and name   HB)
assign (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   43 and name  HB1) 4.413 2.435 2.435 weight 1.000 ! spec=Expt_44, no=832, id=2765, vol=5.041375e+05
    or (segid "   B" and resid   89 and name   HN) (segid "   B" and resid   43 and name  HB2)
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HD1) 2.067 0.534 0.534 weight 1.000 ! spec=Expt_44, no=848, id=2779, vol=2.382502e+07
    or (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name  HZ2)
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   58 and name   HA) 4.018 2.018 2.018 weight 1.000 ! spec=Expt_44, no=851, id=2782, vol=1.145072e+06
    or (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   57 and name   HA)
assign (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   57 and name  HG2) 4.958 3.073 3.073 weight 1.000 ! spec=Expt_44, no=857, id=2784, vol=6.082437e+05
    or (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   57 and name  HB1)
    or (segid "   B" and resid   58 and name  HE1) (segid "   B" and resid   57 and name  HG1)
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD13) 4.797 2.877 2.877 weight 1.000 ! spec=Expt_44, no=865, id=2786, vol=2.539626e+05
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD11)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD12)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD21)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD22)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   85 and name HD23)
assign (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   44 and name  HD2) 4.384 2.403 2.403 weight 1.000 ! spec=Expt_44, no=866, id=2787, vol=5.841560e+05
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   44 and name  HD1)
    or (segid "   B" and resid   63 and name   HN) (segid "   B" and resid   46 and name   HB)
assign (segid "   B" and resid   63 and name   HN) (segid "   A" and resid   27 and name  HH2) 5.121 3.278 3.278 weight 1.000 ! spec=Expt_44, no=870, id=2790, vol=3.764354e+05
    or (segid "   B" and resid   63 and name   HN) (segid "   A" and resid   27 and name  HZ2)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   66 and name   HA) 5.073 3.217 3.217 weight 1.000 ! spec=Expt_44, no=873, id=2793, vol=3.544197e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   63 and name   HA)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   62 and name HG23) 4.538 2.575 2.575 weight 1.000 ! spec=Expt_44, no=876, id=2795, vol=4.470397e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   62 and name HG22)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   62 and name HG21)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name  HG2)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD13) 5.302 3.513 3.513 weight 1.000 ! spec=Expt_44, no=878, id=2797, vol=4.210033e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD11)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD12)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD21)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD22)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name HD23)
assign (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name  HD2) 5.167 3.337 3.337 weight 1.000 ! spec=Expt_44, no=879, id=2798, vol=3.693536e+05
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   44 and name  HD1)
    or (segid "   B" and resid   65 and name   HN) (segid "   B" and resid   67 and name  HB1)
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   58 and name   HA) 6.048 4.572 4.572 weight 1.000 ! spec=Expt_44, no=893, id=2805, vol=3.660197e+05
    or (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   59 and name   HA)
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   59 and name  HE2) 4.033 2.033 2.033 weight 1.000 ! spec=Expt_44, no=897, id=2809, vol=8.439168e+05
    or (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   59 and name  HE1)
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   59 and name  HD1) 2.674 0.894 0.894 weight 1.000 ! spec=Expt_44, no=898, id=2810, vol=3.118607e+06
    or (segid "   B" and resid   59 and name  HD2) (segid "   B" and resid   49 and name  HE1)
assign (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name HG11) 3.506 1.536 1.536 weight 1.000 ! spec=Expt_44, no=908, id=2819, vol=9.462197e+05
    or (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name HD12)
    or (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name HD11)
    or (segid "   B" and resid   49 and name  HE1) (segid "   B" and resid   72 and name HD13)
assign (segid "   B" and resid   72 and name HD12) (segid "   B" and resid   72 and name   HN) 3.520 1.549 1.549 weight 1.000 ! spec=Expt_44, no=911, id=2821, vol=2.452377e+06
    or (segid "   B" and resid   72 and name HD11) (segid "   B" and resid   72 and name   HN)
    or (segid "   B" and resid   72 and name HD13) (segid "   B" and resid   72 and name   HN)
    or (segid "   B" and resid   72 and name HG11) (segid "   B" and resid   72 and name   HN)
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   24 and name   HB) 4.722 2.787 2.787 weight 1.000 ! spec=Expt_44, no=917, id=2826, vol=3.651426e+05
    or (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   59 and name  HD1)
assign (segid "   B" and resid   72 and name   HN) (segid "   A" and resid   23 and name   HA) 4.087 2.088 2.088 weight 1.000 ! spec=Expt_44, no=921, id=2829, vol=6.606580e+05
    or (segid "   B" and resid   72 and name   HN) (segid "   B" and resid   73 and name   HA)
assign (segid "   B" and resid   98 and name  HD2) (segid "   B" and resid   98 and name   HN) 4.379 2.397 2.397 weight 1.000 ! spec=Expt_44, no=928, id=2835, vol=1.303216e+06
    or (segid "   B" and resid   98 and name  HD1) (segid "   B" and resid   98 and name   HN)
assign (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   44 and name   HA) 5.075 3.220 3.220 weight 1.000 ! spec=Expt_44, no=942, id=2848, vol=5.006703e+05
    or (segid "   B" and resid   67 and name   HN) (segid "   B" and resid   64 and name   HA)
assign (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name  HG2) 4.476 2.505 2.505 weight 1.000 ! spec=Expt_44, no=949, id=2855, vol=1.438184e+06
    or (segid "   B" and resid   96 and name   HN) (segid "   B" and resid   95 and name  HG1)
assign (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   95 and name  HG1) 3.071 1.179 1.179 weight 1.000 ! spec=Expt_44, no=962, id=2868, vol=2.012235e+06
    or (segid "   B" and resid   95 and name   HN) (segid "   B" and resid   95 and name  HG2)
assign (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   95 and name   HN) 3.714 1.724 1.724 weight 1.000 ! spec=Expt_44, no=969, id=2875, vol=8.567170e+05
    or (segid "   B" and resid   87 and name  HB2) (segid "   B" and resid   95 and name   HN)
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   43 and name  HB1) 4.450 2.475 2.475 weight 1.000 ! spec=Expt_44, no=979, id=2884, vol=3.819149e+05
    or (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   43 and name  HB2)
assign (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   41 and name  HB1) 4.413 2.434 2.434 weight 1.000 ! spec=Expt_44, no=985, id=2890, vol=4.362257e+05
    or (segid "   B" and resid   90 and name   HN) (segid "   B" and resid   91 and name  HB1)
assign (segid "   B" and resid   75 and name  HB2) (segid "   B" and resid   75 and name   HN) 2.573 0.828 0.828 weight 1.000 ! spec=Expt_44, no=986, id=2891, vol=4.025960e+06
    or (segid "   B" and resid   75 and name  HB1) (segid "   B" and resid   75 and name   HN)
assign (segid "   B" and resid  100 and name  HB1) (segid "   B" and resid  100 and name   HN) 2.648 0.876 0.876 weight 1.000 ! spec=Expt_44, no=1008, id=2905, vol=7.103351e+06
    or (segid "   B" and resid  100 and name  HB2) (segid "   B" and resid  100 and name   HN)
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   83 and name  HA1) 4.156 2.160 2.160 weight 1.000 ! spec=Expt_44, no=1029, id=2917, vol=7.604495e+05
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid  100 and name  HB2)
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   84 and name  HG1) 4.188 2.193 2.193 weight 1.000 ! spec=Expt_44, no=1032, id=2919, vol=1.012698e+06
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   84 and name  HG2)
assign (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   15 and name HG21) 4.444 2.469 2.469 weight 1.000 ! spec=Expt_44, no=1035, id=2921, vol=5.025782e+05
    or (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   15 and name HG22)
    or (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   25 and name HG21)
    or (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   25 and name HG23)
    or (segid "   B" and resid   99 and name   HN) (segid "   A" and resid   25 and name HG22)
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   85 and name  HB2)
assign (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   85 and name  HB1) 4.121 2.123 2.123 weight 1.000 ! spec=Expt_44, no=1038, id=2924, vol=1.592683e+06
    or (segid "   B" and resid   99 and name   HN) (segid "   B" and resid   98 and name  HG1)
assign (segid "   B" and resid   70 and name   HN) (segid "   B" and resid   85 and name  HB1) 4.593 2.637 2.637 weight 1.000 ! spec=Expt_44, no=1058, id=2939, vol=2.704145e+05
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   24 and name   HB)
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   26 and name  HB1) 5.276 3.479 3.479 weight 1.000 ! spec=Expt_44, no=1059, id=2940, vol=4.674510e+05
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   26 and name  HB2)
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   26 and name  HG2) 3.881 1.883 1.883 weight 1.000 ! spec=Expt_44, no=1060, id=2941, vol=9.853032e+05
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   26 and name  HG1)
assign (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   24 and name HG13) 2.838 1.007 1.007 weight 1.000 ! spec=Expt_44, no=1062, id=2943, vol=2.450893e+06
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   24 and name HG11)
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   24 and name HG12)
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG12)
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG11)
    or (segid "   B" and resid   70 and name   HN) (segid "   A" and resid   25 and name HG13)
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   89 and name  HB1) 3.862 1.864 1.864 weight 1.000 ! spec=Expt_44, no=1073, id=2954, vol=3.790708e+05
    or (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   90 and name  HG1)
assign (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   90 and name  HB1) 3.588 1.609 1.609 weight 1.000 ! spec=Expt_44, no=1074, id=2955, vol=6.676629e+05
    or (segid "   B" and resid   91 and name   HN) (segid "   B" and resid   90 and name  HG2)
assign (segid "   B" and resid  100 and name  HB2) (segid "   B" and resid  101 and name   HN) 3.027 1.146 1.146 weight 1.000 ! spec=Expt_44, no=1091, id=2968, vol=2.511007e+06
    or (segid "   B" and resid  100 and name  HB1) (segid "   B" and resid  101 and name   HN)
assign (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   82 and name  HB2) 4.879 2.975 2.975 weight 1.000 ! spec=Expt_44, no=1092, id=2969, vol=2.784889e+05
    or (segid "   B" and resid  101 and name   HN) (segid "   B" and resid   82 and name  HG1)
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   52 and name  HB2) 4.678 2.735 2.735 weight 1.000 ! spec=Expt_44, no=1098, id=2974, vol=6.042216e+05
    or (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   52 and name  HG2)
    or (segid "   B" and resid   68 and name   HN) (segid "   A" and resid   26 and name  HG2)
assign (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   53 and name  HB1) 3.787 1.792 1.792 weight 1.000 ! spec=Expt_44, no=1100, id=2975, vol=1.331937e+06
    or (segid "   B" and resid   54 and name   HN) (segid "   B" and resid   53 and name  HB2)
assign (segid "   B" and resid   38 and name HE22) (segid "   B" and resid   38 and name  HG1) 3.811 1.816 1.816 weight 1.000 ! spec=Expt_44, no=1102, id=2977, vol=7.463154e+05
    or (segid "   B" and resid   38 and name HE22) (segid "   B" and resid   38 and name  HG2)
assign (segid "   B" and resid   38 and name HE21) (segid "   B" and resid   38 and name  HG1) 3.730 1.739 1.739 weight 1.000 ! spec=Expt_44, no=1103, id=2978, vol=4.630298e+05
    or (segid "   B" and resid   38 and name HE21) (segid "   B" and resid   38 and name  HG2)
assign (segid "   B" and resid   38 and name HE21) (segid "   B" and resid   38 and name HE22) 1.470 0.270 0.270 weight 1.000 ! spec=Expt_44, no=1105, id=2979, vol=4.365351e+07
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   53 and name HD22)
assign (segid "   B" and resid   53 and name  HB2) (segid "   B" and resid   53 and name HD22) 3.059 1.170 1.170 weight 1.000 ! spec=Expt_44, no=1106, id=2980, vol=3.087704e+06
    or (segid "   B" and resid   53 and name  HB1) (segid "   B" and resid   53 and name HD22)
assign (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   53 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=Expt_44, no=1107, id=2981, vol=2.967833e+06
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   53 and name  HB1)
assign (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   50 and name  HB2) 5.072 3.215 3.215 weight 1.000 ! spec=Expt_44, no=1108, id=2982, vol=3.983508e+05
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   52 and name  HB1)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   52 and name  HD2)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   76 and name  HG1)
assign (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HB1) 4.389 2.407 2.407 weight 1.000 ! spec=Expt_44, no=1109, id=2983, vol=5.893886e+05
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HD2)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HD1)
assign (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HB2) 4.953 3.066 3.066 weight 1.000 ! spec=Expt_44, no=1110, id=2984, vol=5.308477e+05
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   52 and name  HB2) 4.889 2.987 2.987 weight 1.000 ! spec=Expt_44, no=1111, id=2985, vol=4.025809e+05
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   52 and name  HG1)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   52 and name  HG2)
assign (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG11) 4.070 2.070 2.070 weight 1.000 ! spec=Expt_44, no=1112, id=2986, vol=2.567836e+05
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG13)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   55 and name HG22)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   79 and name HG21)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   53 and name HD22) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG11) 4.246 2.254 2.254 weight 1.000 ! spec=Expt_44, no=1113, id=2987, vol=2.439759e+05
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG12)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG13)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG23)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG21)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   55 and name HG22)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   79 and name HG21)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   79 and name HG23)
    or (segid "   B" and resid   53 and name HD21) (segid "   B" and resid   79 and name HG22)
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name HE22) 2.956 1.092 1.092 weight 1.000 ! spec=Expt_44, no=1118, id=2992, vol=1.345686e+06
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   89 and name  HB2)
assign (segid "   B" and resid   89 and name  HG1) (segid "   B" and resid   89 and name HE21) 3.287 1.350 1.350 weight 1.000 ! spec=Expt_44, no=1119, id=2993, vol=1.114509e+06
    or (segid "   B" and resid   89 and name  HB2) (segid "   B" and resid   89 and name HE21)
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   87 and name  HB2) 4.669 2.725 2.725 weight 1.000 ! spec=Expt_44, no=1130, id=3004, vol=3.873070e+05
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   87 and name  HB1)
    or (segid "   B" and resid   89 and name HE22) (segid "   A" and resid   30 and name  HD2)
assign (segid "   B" and resid   89 and name HE21) (segid "   A" and resid   30 and name  HD2) 5.133 3.293 3.293 weight 1.000 ! spec=Expt_44, no=1131, id=3005, vol=2.531066e+05
    or (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   87 and name  HB2)
    or (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   87 and name  HB1)
assign (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   88 and name   HA) 3.975 1.975 1.975 weight 1.000 ! spec=Expt_44, no=1135, id=3007, vol=2.844759e+05
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   93 and name   HA)
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   40 and name   HA)
assign (segid "   B" and resid   89 and name HE22) (segid "   A" and resid    9 and name   HA) 5.393 3.635 3.635 weight 1.000 ! spec=Expt_44, no=1136, id=3008, vol=2.884765e+05
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   87 and name   HA)
    or (segid "   B" and resid   89 and name HE22) (segid "   B" and resid   95 and name   HA)
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   40 and name   HA) 5.050 3.188 3.188 weight 1.000 ! spec=Expt_44, no=1137, id=3009, vol=3.664401e+05
    or (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   88 and name   HA)
    or (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   93 and name   HA)
assign (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   41 and name   HA) 5.700 4.062 4.062 weight 1.000 ! spec=Expt_44, no=1138, id=3010, vol=2.394994e+05
    or (segid "   B" and resid   89 and name HE21) (segid "   B" and resid   95 and name   HA)
    or (segid "   B" and resid   89 and name HE21) (segid "   A" and resid    9 and name   HA)
assign (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   28 and name  HB1) 5.231 3.420 3.420 weight 1.000 ! spec=Expt_44, no=1153, id=3025, vol=2.984179e+05
    or (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   28 and name  HB2)
assign (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   28 and name  HB1) 5.816 4.229 4.229 weight 1.000 ! spec=Expt_44, no=1154, id=3026, vol=1.745730e+05
    or (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   28 and name  HB2)
assign (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   29 and name  HG2) 3.526 1.554 1.554 weight 1.000 ! spec=Expt_44, no=1163, id=3034, vol=6.185267e+05
    or (segid "   B" and resid   68 and name HD21) (segid "   A" and resid   29 and name  HB1)
assign (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   29 and name  HG2) 4.372 2.389 2.389 weight 1.000 ! spec=Expt_44, no=1164, id=3035, vol=4.018272e+05
    or (segid "   B" and resid   68 and name HD22) (segid "   A" and resid   29 and name  HB1)
assign (segid "   B" and resid   90 and name HE21) (segid "   B" and resid   90 and name  HB1) 2.888 1.043 1.043 weight 1.000 ! spec=Expt_44, no=1168, id=3039, vol=1.821524e+06
    or (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name HE21)
assign (segid "   B" and resid   90 and name HE22) (segid "   B" and resid   90 and name  HB1) 3.604 1.624 1.624 weight 1.000 ! spec=Expt_44, no=1169, id=3040, vol=1.387981e+06
    or (segid "   B" and resid   90 and name  HG2) (segid "   B" and resid   90 and name HE22)
assign (segid "   B" and resid   84 and name  HG2) (segid "   B" and resid   84 and name HE21) 3.879 1.881 1.881 weight 1.000 ! spec=Expt_44, no=1190, id=3059, vol=1.717440e+06
    or (segid "   B" and resid   84 and name  HG1) (segid "   B" and resid   84 and name HE21)
assign (segid "   B" and resid   84 and name HE22) (segid "   B" and resid   84 and name  HB1) 4.155 2.158 2.158 weight 1.000 ! spec=Expt_44, no=1191, id=3060, vol=3.516090e+05
    or (segid "   B" and resid   84 and name HE22) (segid "   B" and resid   84 and name  HB2)
assign (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   84 and name  HB1) 4.553 2.591 2.591 weight 1.000 ! spec=Expt_44, no=1192, id=3061, vol=5.691805e+05
    or (segid "   B" and resid   84 and name HE21) (segid "   B" and resid   84 and name  HB2)
assign (segid "   B" and resid   69 and name   HN) (segid "   A" and resid   27 and name  HD1) 4.338 2.352 2.352 weight 1.000 ! spec=Expt_44, no=1216, id=3084, vol=6.529591e+05
    or (segid "   B" and resid   69 and name   HN) (segid "   A" and resid   27 and name  HE3)
assign (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   58 and name  HH2) 3.706 1.717 1.717 weight 1.000 ! spec=Expt_44, no=1257, id=3113, vol=1.069131e+06
    or (segid "   B" and resid   50 and name   HE) (segid "   B" and resid   58 and name  HZ3)
assign (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HD1) 3.659 1.673 1.673 weight 1.000 ! spec=Expt_53, no=33, id=3143, vol=5.518870e+05
    or (segid "   B" and resid   65 and name  HA2) (segid "   B" and resid   45 and name  HD2)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HD1)
    or (segid "   B" and resid   87 and name  HB1) (segid "   B" and resid   45 and name  HD2)
assign (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   67 and name   HG) 4.435 2.458 2.458 weight 1.000 ! spec=Expt_53, no=38, id=3148, vol=2.494391e+05
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   67 and name   HG)
    or (segid "   B" and resid   45 and name  HD1) (segid "   B" and resid   85 and name  HB2)
    or (segid "   B" and resid   45 and name  HD2) (segid "   B" and resid   85 and name  HB2)
assign (segid "   B" and resid   70 and name  HD2) (segid "   A" and resid   27 and name  HH2) 4.796 2.876 2.876 weight 1.000 ! spec=Expt_53, no=45, id=3154, vol=3.499030e+05
    or (segid "   B" and resid   70 and name  HD1) (segid "   A" and resid   27 and name  HH2)
    or (segid "   B" and resid   70 and name  HD2) (segid "   A" and resid   27 and name  HZ3)
    or (segid "   B" and resid   70 and name  HD1) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HD2) 3.787 1.792 1.792 weight 1.000 ! spec=Expt_53, no=48, id=3156, vol=5.085203e+05
    or (segid "   B" and resid   63 and name HG11) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   63 and name HG12) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   70 and name  HD2) (segid "   B" and resid   47 and name  HB1) 4.011 2.011 2.011 weight 1.000 ! spec=Expt_53, no=50, id=3158, vol=3.815293e+05
    or (segid "   B" and resid   70 and name  HD1) (segid "   B" and resid   47 and name  HB1)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD11) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD12) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD13) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD22) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD21) (segid "   B" and resid   70 and name  HD1)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HD2)
    or (segid "   B" and resid   47 and name HD23) (segid "   B" and resid   70 and name  HD1)
assign (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name  HD1) 3.533 1.561 1.561 weight 1.000 ! spec=Expt_53, no=74, id=3179, vol=6.431912e+05
    or (segid "   B" and resid   81 and name  HB2) (segid "   B" and resid   81 and name  HD2)
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HD2)
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HD1)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HD2)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HD1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HD2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HD1)
assign (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HE2) 3.276 1.341 1.341 weight 1.000 ! spec=Expt_53, no=97, id=3191, vol=7.799710e+05
    or (segid "   A" and resid   15 and name HG21) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   15 and name HG23) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   15 and name HG22) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG21) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG23) (segid "   B" and resid   99 and name  HE1)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   99 and name  HE2)
    or (segid "   A" and resid   25 and name HG22) (segid "   B" and resid   99 and name  HE1)
assign (segid "   B" and resid   58 and name   HA) (segid "   B" and resid   58 and name  HD1) 3.817 1.821 1.821 weight 1.000 ! spec=Expt_53, no=103, id=3196, vol=4.344680e+05
    or (segid "   B" and resid   57 and name   HA) (segid "   B" and resid   58 and name  HD1)
assign (segid "   B" and resid   58 and name  HZ2) (segid "   B" and resid   82 and name  HG1) 5.218 3.404 3.404 weight 1.000 ! spec=Expt_53, no=118, id=3207, vol=1.283467e+05
    or (segid "   B" and resid   58 and name  HZ2) (segid "   B" and resid   82 and name  HB2)
assign (segid "   B" and resid   49 and name  HZ2) (segid "   B" and resid   49 and name  HD1) 4.346 2.360 2.360 weight 1.000 ! spec=Expt_53, no=129, id=3215, vol=3.770679e+05
    or (segid "   B" and resid   49 and name  HZ2) (segid "   B" and resid   49 and name  HZ3)
    or (segid "   B" and resid   49 and name  HZ2) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   49 and name  HZ2) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   45 and name  HE1) (segid "   A" and resid   29 and name  HB2) 3.696 1.707 1.707 weight 1.000 ! spec=Expt_53, no=163, id=3235, vol=6.866886e+05
    or (segid "   B" and resid   45 and name  HE2) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HE1)
    or (segid "   A" and resid   10 and name  HG2) (segid "   B" and resid   45 and name  HE2)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HE1)
    or (segid "   A" and resid   10 and name  HG1) (segid "   B" and resid   45 and name  HE2)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   58 and name  HE3) 5.150 3.315 3.315 weight 1.000 ! spec=Expt_53, no=176, id=3241, vol=1.207370e+05
    or (segid "   B" and resid   84 and name   HN) (segid "   B" and resid   58 and name  HE3)
assign (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HE2) 3.282 1.347 1.347 weight 1.000 ! spec=Expt_53, no=184, id=3247, vol=8.791518e+05
    or (segid "   B" and resid   72 and name HG12) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   61 and name  HB2) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   61 and name  HB1) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   70 and name  HE2)
    or (segid "   B" and resid   61 and name  HB3) (segid "   B" and resid   70 and name  HE1)
assign (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   70 and name  HE2) 3.993 1.993 1.993 weight 1.000 ! spec=Expt_53, no=185, id=3248, vol=4.713387e+05
    or (segid "   B" and resid   72 and name   HB) (segid "   B" and resid   70 and name  HE1)
    or (segid "   B" and resid   70 and name  HE2) (segid "   B" and resid   47 and name  HB1)
    or (segid "   B" and resid   70 and name  HE1) (segid "   B" and resid   47 and name  HB1)
assign (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   25 and name   HN) 2.826 0.998 0.998 weight 1.000 ! spec=Expt_63, no=9, id=448, vol=2.114135e+05
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   25 and name   HN)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   15 and name HG13)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   15 and name HG11)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   15 and name HG12)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name   HN) 2.638 0.870 0.870 weight 1.000 ! spec=Expt_63, no=11, id=450, vol=2.138027e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   71 and name   HA)
assign (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   16 and name   HN) 3.505 1.535 1.535 weight 1.000 ! spec=Expt_63, no=26, id=463, vol=1.089817e+05
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   16 and name   HN)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   23 and name HG23)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   23 and name HG21)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   23 and name HG22)
assign (segid "   A" and resid   26 and name  HD2) (segid "   A" and resid   26 and name   HN) 4.445 2.469 2.469 weight 1.000 ! spec=Expt_63, no=38, id=471, vol=4.492603e+04
    or (segid "   A" and resid   26 and name  HD1) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   25 and name HG12) (segid "   A" and resid   26 and name   HN) 3.214 1.291 1.291 weight 1.000 ! spec=Expt_63, no=46, id=477, vol=1.710864e+05
    or (segid "   A" and resid   25 and name HG11) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   25 and name HG13) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   24 and name HG13) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   24 and name HG11) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   24 and name HG12) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name   HN) 2.872 1.031 1.031 weight 1.000 ! spec=Expt_63, no=74, id=500, vol=1.669195e+05
    or (segid "   A" and resid   12 and name  HB2) (segid "   A" and resid   12 and name   HN)
assign (segid "   A" and resid   26 and name  HG2) (segid "   A" and resid   27 and name   HN) 3.929 1.930 1.930 weight 1.000 ! spec=Expt_63, no=91, id=503, vol=1.119463e+05
    or (segid "   A" and resid   26 and name  HG1) (segid "   A" and resid   27 and name   HN)
assign (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   69 and name  HB2) 4.399 2.419 2.419 weight 1.000 ! spec=Expt_63, no=97, id=508, vol=4.985164e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   B" and resid   69 and name  HB1)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HH2) 3.989 1.989 1.989 weight 1.000 ! spec=Expt_63, no=102, id=512, vol=5.653905e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HZ3)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name HG21) 3.532 1.560 1.560 weight 1.000 ! spec=Expt_63, no=111, id=519, vol=6.185433e+04
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name HG23)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name HG22)
    or (segid "   A" and resid   25 and name HG21) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   25 and name HG23) (segid "   A" and resid   14 and name   HN)
    or (segid "   A" and resid   25 and name HG22) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   26 and name  HB1) 3.949 1.950 1.950 weight 1.000 ! spec=Expt_63, no=113, id=521, vol=3.740274e+04
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   22 and name   HN) 4.983 3.104 3.104 weight 1.000 ! spec=Expt_63, no=126, id=529, vol=3.657389e+04
    or (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   22 and name   HN)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HN) 3.124 1.220 1.220 weight 1.000 ! spec=Expt_63, no=138, id=538, vol=9.466283e+04
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HN)
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HN) 2.464 0.759 0.759 weight 1.000 ! spec=Expt_63, no=145, id=542, vol=3.221537e+05
    or (segid "   A" and resid   20 and name  HB2) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   17 and name  HB2) 3.147 1.238 1.238 weight 1.000 ! spec=Expt_63, no=161, id=549, vol=6.431790e+04
    or (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   17 and name  HG2) 3.164 1.252 1.252 weight 1.000 ! spec=Expt_63, no=162, id=550, vol=9.776103e+04
    or (segid "   A" and resid   17 and name HE21) (segid "   A" and resid   17 and name  HG1)
# Restraints file 3: abana_talosn_081414.tbl

!    8 D  -91.268    2.015   10.292   25.701    0.422 0.648 25 16 Strong
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -91.3   20.6 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0    2.0   51.4 2

!    9 A  -72.090  139.729   20.414   23.797    0.615 0.610 25 15 Strong
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -72.1   40.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  139.7   47.6 2

!   10 P  -64.063  145.959    7.818   12.100    0.782 0.639 25 12 Strong
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -64.1   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  146.0   24.2 2

!   12 D -106.485  143.059   34.728   13.478    0.487 0.738 25 13 Strong
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -106.5   69.5 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  143.1   27.0 2

!   13 P  -63.386  140.846    8.183   12.235    0.401 0.767 25 16 Strong
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -63.4   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  140.8   24.5 2

!   14 T -126.103  145.414   13.018   15.397    0.391 0.801 25 16 Strong
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -126.1   26.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  145.4   30.8 2

!   15 V -117.433  131.287   12.355    5.744    0.397 0.815 25 18 Strong
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -117.4   24.7 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  131.3   20.0 2

!   16 D -119.703  150.884   19.064   14.329    0.493 0.794 25 15 Strong
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -119.7   38.1 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  150.9   28.7 2

!   20 D  -61.777  -32.974    7.654    9.498    0.413 0.862 25 16 Strong
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -61.8   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -33.0   20.0 2

!   21 T -128.371    9.310   10.677   14.098    0.286 0.890 25 18 Strong
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0 -128.4   21.4 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0    9.3   28.2 2

!   22 S -132.183  144.525   15.339   14.842    0.202 0.899 25 16 Strong
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0 -132.2   30.7 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  144.5   29.7 2

!   23 I -137.161  150.154    7.919    9.079    0.162 0.896 25 16 Strong
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -137.2   20.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  150.2   20.0 2

!   24 V -116.672  126.685    9.621    6.651    0.194 0.884 25 16 Strong
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0 -116.7   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  126.7   20.0 2

!   25 V -110.837  127.236    7.836    6.624    0.179 0.877 25 18 Strong
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0 -110.8   20.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  127.2   20.0 2

!   26 R -128.907  148.476   16.262   11.528    0.241 0.846 25 18 Strong
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0 -128.9   32.5 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  148.5   23.1 2

!   27 W -134.397  152.766   31.922   13.695    0.404 0.810 25 18 Strong
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0 -134.4   63.8 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  152.8   27.4 2

!   28 S  -81.135  140.462   15.198   14.040    0.534 0.748 25 18 Strong
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -81.1   30.4 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  140.5   28.1 2

!   29 R  -69.254  140.697    8.542   11.136    0.893 0.706 25 15 Strong
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -69.3   20.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  140.7   22.3 2

!   42 I  -89.145  117.534   11.052    8.349    0.279 0.687 25 16 Strong
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -89.1   22.1 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  117.5   20.0 2

!   43 S  -81.567  -36.562    8.177   10.187    0.199 0.787 25 18 Strong
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -81.6   20.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -36.6   20.4 2

!   44 K -159.183  158.886    6.871    7.193    0.165 0.875 25 18 Strong
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0 -159.2   20.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  158.9   20.0 2

!   45 Y -121.835  143.734   10.171    8.195    0.175 0.911 25 18 Strong
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0 -121.8   20.3 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  143.7   20.0 2

!   46 I -113.526  127.959    8.853    9.115    0.213 0.923 25 18 Strong
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0 -113.5   20.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  128.0   20.0 2

!   47 L -117.076  132.176    8.468    9.031    0.250 0.927 25 18 Strong
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0 -117.1   20.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  132.2   20.0 2

!   48 R -124.031  139.158    9.280    8.628    0.314 0.921 25 18 Strong
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0 -124.0   20.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  139.2   20.0 2

!   49 W -130.478  150.894   17.285   11.196    0.482 0.904 25 18 Strong
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0 -130.5   34.6 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  150.9   22.4 2

!   50 R -138.134  141.425   18.751   30.535    0.715 0.876 25 15 Strong
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0 -138.1   37.5 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  141.4   61.1 2

!   51 P  -59.379  136.451    7.924    9.020    0.547 0.835 25 15 Strong
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -59.4   20.0 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  136.5   20.0 2

!   52 K  -58.617  -28.745    4.895    7.343    0.563 0.811 25 15 Strong
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -58.6   20.0 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  -28.7   20.0 2

!   53 N  -71.538  -14.863    6.342    6.968    0.504 0.788 25 18 Strong
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -71.5   20.0 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  -14.9   20.0 2

!   58 W  -70.517  138.284   10.463   11.137    0.784 0.727 25 18 Strong
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0  -70.5   20.9 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  138.3   22.3 2

!   60 E -137.287  144.704   11.359    9.165    0.314 0.859 25 18 Strong
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0 -137.3   22.7 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  144.7   20.0 2

!   61 A -137.976  138.102   11.015   12.096    0.342 0.869 25 18 Strong
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0 -138.0   22.0 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
       (resid   61 and name C    ) (resid   62 and name N    )    1.0  138.1   24.2 2

!   62 T -103.597  127.150   11.798    6.944    0.388 0.863 25 18 Strong
assign (resid   61 and name C    ) (resid   62 and name N    )
       (resid   62 and name CA   ) (resid   62 and name C    )    1.0 -103.6   23.6 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0  127.2   20.0 2

!   63 I -130.383  141.082    9.227   12.601    0.658 0.842 25 16 Strong
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0 -130.4   20.0 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0  141.1   25.2 2

!   64 P  -60.804  146.375    8.935    9.313    1.066 0.788 10 15 Generous
assign (resid   63 and name C    ) (resid   64 and name N    )
       (resid   64 and name CA   ) (resid   64 and name C    )    1.0  -60.8   30.0 2
assign (resid   64 and name N    ) (resid   64 and name CA   )
       (resid   64 and name C    ) (resid   65 and name N    )    1.0  146.4   30.0 2

!   69 S -143.776  153.521   15.909    7.077    0.740 0.897 25 18 Strong
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0 -143.8   31.8 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  153.5   20.0 2

!   70 Y -143.212  135.675   15.311   10.014    0.739 0.897 25 18 Strong
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0 -143.2   30.6 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  135.7   20.0 2

!   71 T  -99.698  120.961    7.355   10.723    0.636 0.886 25 18 Strong
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0  -99.7   20.0 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  121.0   21.4 2

!   72 I  -83.596  127.202   12.872    9.110    0.560 0.864 25 18 Strong
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0  -83.6   25.7 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  127.2   20.0 2

!   73 K -120.360  155.440   16.520   16.783    0.581 0.820 25 17 Strong
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0 -120.4   33.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  155.4   33.6 2

!   75 L  -79.887  148.171   11.583   12.588    0.548 0.736 25 17 Strong
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -79.9   23.2 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  148.2   25.2 2

!   76 K  -91.782  146.581   23.804   11.713    0.421 0.723 25 12 Strong
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0  -91.8   47.6 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  146.6   23.4 2

!   77 P  -57.080  139.492    5.890    9.514    0.279 0.660 25  9 Strong
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -57.1   20.0 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  139.5   20.0 2

!   78 G   90.850   -3.683   14.854   17.265    0.278 0.605 10  9 Generous
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0   90.8   44.6 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0   -3.7   51.8 2

!   79 V  -92.103  137.854   22.445    9.469    0.275 0.629 25 13 Strong
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -92.1   44.9 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  137.9   20.0 2

!   80 V  -84.082  125.924   13.035    7.679    0.355 0.689 25 16 Strong
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -84.1   26.1 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  125.9   20.0 2

!   81 Y -106.816  138.096   11.488   12.098    0.422 0.780 25 16 Strong
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0 -106.8   23.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  138.1   24.2 2

!   82 E -128.793  139.148   12.077   15.375    0.326 0.857 25 17 Strong
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0 -128.8   24.2 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  139.1   30.8 2

!   84 Q -124.694  135.402   12.641   10.619    0.233 0.898 25 17 Strong
assign (resid   83 and name C    ) (resid   84 and name N    )
       (resid   84 and name CA   ) (resid   84 and name C    )    1.0 -124.7   25.3 2
assign (resid   84 and name N    ) (resid   84 and name CA   )
       (resid   84 and name C    ) (resid   85 and name N    )    1.0  135.4   21.2 2

!   85 L -109.562  121.003    8.302    9.106    0.166 0.897 25 18 Strong
assign (resid   84 and name C    ) (resid   85 and name N    )
       (resid   85 and name CA   ) (resid   85 and name C    )    1.0 -109.6   20.0 2
assign (resid   85 and name N    ) (resid   85 and name CA   )
       (resid   85 and name C    ) (resid   86 and name N    )    1.0  121.0   20.0 2

!   86 I -107.524  126.746    8.002    6.105    0.205 0.883 25 18 Strong
assign (resid   85 and name C    ) (resid   86 and name N    )
       (resid   86 and name CA   ) (resid   86 and name C    )    1.0 -107.5   20.0 2
assign (resid   86 and name N    ) (resid   86 and name CA   )
       (resid   86 and name C    ) (resid   87 and name N    )    1.0  126.7   20.0 2

!   87 S -107.384  124.406   13.706   11.788    0.194 0.839 25 18 Strong
assign (resid   86 and name C    ) (resid   87 and name N    )
       (resid   87 and name CA   ) (resid   87 and name C    )    1.0 -107.4   27.4 2
assign (resid   87 and name N    ) (resid   87 and name CA   )
       (resid   87 and name C    ) (resid   88 and name N    )    1.0  124.4   23.6 2

!   88 I  -92.921  118.131   10.377   11.179    0.205 0.808 25 18 Strong
assign (resid   87 and name C    ) (resid   88 and name N    )
       (resid   88 and name CA   ) (resid   88 and name C    )    1.0  -92.9   20.8 2
assign (resid   88 and name N    ) (resid   88 and name CA   )
       (resid   88 and name C    ) (resid   89 and name N    )    1.0  118.1   22.4 2

!   89 Q  -80.520  162.010    9.243    8.937    0.229 0.789 25 18 Strong
assign (resid   88 and name C    ) (resid   89 and name N    )
       (resid   89 and name CA   ) (resid   89 and name C    )    1.0  -80.5   20.0 2
assign (resid   89 and name N    ) (resid   89 and name CA   )
       (resid   89 and name C    ) (resid   90 and name N    )    1.0  162.0   20.0 2

!   90 Q  -63.088  -24.771    4.781    5.168    0.184 0.762 25 18 Strong
assign (resid   89 and name C    ) (resid   90 and name N    )
       (resid   90 and name CA   ) (resid   90 and name C    )    1.0  -63.1   20.0 2
assign (resid   90 and name N    ) (resid   90 and name CA   )
       (resid   90 and name C    ) (resid   91 and name N    )    1.0  -24.8   20.0 2

!   91 Y  -88.364   -2.612   10.213    9.930    0.298 0.734 25 17 Strong
assign (resid   90 and name C    ) (resid   91 and name N    )
       (resid   91 and name CA   ) (resid   91 and name C    )    1.0  -88.4   20.4 2
assign (resid   91 and name N    ) (resid   91 and name CA   )
       (resid   91 and name C    ) (resid   92 and name N    )    1.0   -2.6   20.0 2

!   92 G   89.854   -1.288    6.636    7.336    0.165 0.741 25 17 Strong
assign (resid   91 and name C    ) (resid   92 and name N    )
       (resid   92 and name CA   ) (resid   92 and name C    )    1.0   89.9   20.0 2
assign (resid   92 and name N    ) (resid   92 and name CA   )
       (resid   92 and name C    ) (resid   93 and name N    )    1.0   -1.3   20.0 2

!   93 H  -69.566  141.604    6.727   10.441    0.170 0.784 25 17 Strong
assign (resid   92 and name C    ) (resid   93 and name N    )
       (resid   93 and name CA   ) (resid   93 and name C    )    1.0  -69.6   20.0 2
assign (resid   93 and name N    ) (resid   93 and name CA   )
       (resid   93 and name C    ) (resid   94 and name N    )    1.0  141.6   20.9 2

!   94 Q -113.827  142.285   15.412    8.754    0.208 0.836 25 18 Strong
assign (resid   93 and name C    ) (resid   94 and name N    )
       (resid   94 and name CA   ) (resid   94 and name C    )    1.0 -113.8   30.8 2
assign (resid   94 and name N    ) (resid   94 and name CA   )
       (resid   94 and name C    ) (resid   95 and name N    )    1.0  142.3   20.0 2

!   95 E -134.870  143.647   17.884   14.396    0.189 0.832 25 18 Strong
assign (resid   94 and name C    ) (resid   95 and name N    )
       (resid   95 and name CA   ) (resid   95 and name C    )    1.0 -134.9   35.8 2
assign (resid   95 and name N    ) (resid   95 and name CA   )
       (resid   95 and name C    ) (resid   96 and name N    )    1.0  143.6   28.8 2

!   96 V -114.912  128.079   12.090    7.526    0.206 0.834 25 16 Strong
assign (resid   95 and name C    ) (resid   96 and name N    )
       (resid   96 and name CA   ) (resid   96 and name C    )    1.0 -114.9   24.2 2
assign (resid   96 and name N    ) (resid   96 and name CA   )
       (resid   96 and name C    ) (resid   97 and name N    )    1.0  128.1   20.0 2

!   97 T -120.000  129.406   13.468    9.629    0.239 0.840 25 16 Strong
assign (resid   96 and name C    ) (resid   97 and name N    )
       (resid   97 and name CA   ) (resid   97 and name C    )    1.0 -120.0   26.9 2
assign (resid   97 and name N    ) (resid   97 and name CA   )
       (resid   97 and name C    ) (resid   98 and name N    )    1.0  129.4   20.0 2

!   98 R -106.076  136.021   13.365    9.390    0.260 0.874 25 16 Strong
assign (resid   97 and name C    ) (resid   98 and name N    )
       (resid   98 and name CA   ) (resid   98 and name C    )    1.0 -106.1   26.7 2
assign (resid   98 and name N    ) (resid   98 and name CA   )
       (resid   98 and name C    ) (resid   99 and name N    )    1.0  136.0   20.0 2

!   99 F -152.533  161.273   11.811    9.294    0.306 0.895 25 18 Strong
assign (resid   98 and name C    ) (resid   99 and name N    )
       (resid   99 and name CA   ) (resid   99 and name C    )    1.0 -152.5   23.6 2
assign (resid   99 and name N    ) (resid   99 and name CA   )
       (resid   99 and name C    ) (resid  100 and name N    )    1.0  161.3   20.0 2

!  100 D -114.139  149.581   16.372    9.311    0.384 0.894 25 18 Strong
assign (resid   99 and name C    ) (resid  100 and name N    )
       (resid  100 and name CA   ) (resid  100 and name C    )    1.0 -114.1   32.7 2
assign (resid  100 and name N    ) (resid  100 and name CA   )
       (resid  100 and name C    ) (resid  101 and name N    )    1.0  149.6   20.0 2

!  101 F -149.378  156.829    9.634    9.093    0.538 0.890 25 12 Strong
assign (resid  100 and name C    ) (resid  101 and name N    )
       (resid  101 and name CA   ) (resid  101 and name C    )    1.0 -149.4   20.0 2
assign (resid  101 and name N    ) (resid  101 and name CA   )
       (resid  101 and name C    ) (resid  102 and name N    )    1.0  156.8   20.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  15.915   7.951   4.202
    2    H2   GLY   1           HT2      GLY   1  14.859   9.168   3.691
    3    H3   GLY   1           HT3      GLY   1  14.324   7.569   3.780
    4    HA2  GLY   1           HA1      GLY   1  14.565   7.570   6.170
    5    HA3  GLY   1           HA2      GLY   1  15.161   9.223   6.093
    6    H    SER   2           H        SER   2  13.229   9.257   7.684
    7    HA   SER   2           HA       SER   2  10.622   9.262   6.460
    8    HB2  SER   2           HB2      SER   2  11.470  10.141   9.231
    9    HB3  SER   2           HB1      SER   2   9.815   9.842   8.693
   10    HG   SER   2           HG       SER   2  10.890   8.069   9.843
   11    H    GLN   3           H        GLN   3  11.195  10.849   4.839
   12    HA   GLN   3           HA       GLN   3  11.750  13.563   5.558
   13    HB2  GLN   3           HB2      GLN   3  12.446  12.540   3.411
   14    HB3  GLN   3           HB1      GLN   3  10.756  12.394   2.951
   15    HG2  GLN   3           HG2      GLN   3  10.611  14.903   3.198
   16    HG3  GLN   3           HG1      GLN   3  12.371  14.896   3.309
   17   HE21  GLN   3          HE21      GLN   3   9.628  14.454   1.261
   18   HE22  GLN   3          HE22      GLN   3  10.494  14.385  -0.236
   19    H    THR   4           H        THR   4   8.914  11.693   4.720
   20    HA   THR   4           HA       THR   4   7.169  13.900   4.357
   21    HB   THR   4           HB       THR   4   6.393  11.061   5.015
   22    HG1  THR   4           HG1      THR   4   6.488  10.699   2.772
   23   HG21  THR   4          HG21      THR   4   4.391  11.592   3.705
   24   HG22  THR   4          HG22      THR   4   4.987  13.233   3.456
   25   HG23  THR   4          HG23      THR   4   4.560  12.686   5.078
   26    H    THR   5           H        THR   5   7.203  15.240   6.148
   27    HA   THR   5           HA       THR   5   6.366  14.139   8.713
   28    HB   THR   5           HB       THR   5   6.549  16.640   9.378
   29    HG1  THR   5           HG1      THR   5   8.181  17.655   7.919
   30   HG21  THR   5          HG21      THR   5   8.133  14.929  10.091
   31   HG22  THR   5          HG22      THR   5   8.978  16.420   9.681
   32   HG23  THR   5          HG23      THR   5   8.991  15.064   8.556
   33    H    ALA   6           H        ALA   6   4.981  15.327   5.930
   34    HA   ALA   6           HA       ALA   6   2.639  16.498   7.177
   35    HB1  ALA   6           HB1      ALA   6   3.491  17.421   5.073
   36    HB2  ALA   6           HB2      ALA   6   1.846  16.812   4.889
   37    HB3  ALA   6           HB3      ALA   6   3.207  15.873   4.279
   38    HA   PRO   7           HA       PRO   7   0.481  12.682   7.402
   39    HB2  PRO   7           HB2      PRO   7  -2.034  13.521   7.706
   40    HB3  PRO   7           HB1      PRO   7  -0.794  13.878   8.915
   41    HG2  PRO   7           HG2      PRO   7  -1.919  15.639   6.777
   42    HG3  PRO   7           HG1      PRO   7  -1.514  16.035   8.455
   43    HD2  PRO   7           HD2      PRO   7   0.098  16.576   6.275
   44    HD3  PRO   7           HD1      PRO   7   0.670  16.440   7.949
   45    H    ASP   8           H        ASP   8   1.084  13.272   4.651
   46    HA   ASP   8           HA       ASP   8  -1.422  12.621   3.285
   47    HB2  ASP   8           HB2      ASP   8  -0.155  12.946   1.179
   48    HB3  ASP   8           HB1      ASP   8  -0.155  14.371   2.207
   49    H    ALA   9           H        ALA   9   0.335  10.855   5.031
   50    HA   ALA   9           HA       ALA   9   0.835   8.652   3.189
   51    HB1  ALA   9           HB1      ALA   9   2.494   9.095   4.915
   52    HB2  ALA   9           HB2      ALA   9   1.765   7.505   5.129
   53    HB3  ALA   9           HB3      ALA   9   1.274   8.848   6.162
   54    HA   PRO  10           HA       PRO  10  -3.258   7.008   3.951
   55    HB2  PRO  10           HB2      PRO  10  -2.081   4.472   3.003
   56    HB3  PRO  10           HB1      PRO  10  -3.446   5.387   2.356
   57    HG2  PRO  10           HG2      PRO  10  -1.089   5.284   1.083
   58    HG3  PRO  10           HG1      PRO  10  -2.097   6.744   1.066
   59    HD2  PRO  10           HD2      PRO  10   0.356   6.160   2.663
   60    HD3  PRO  10           HD1      PRO  10  -0.143   7.656   1.897
   61    HA   PRO  11           HA       PRO  11  -2.599   5.101   8.019
   62    HB2  PRO  11           HB2      PRO  11  -5.511   4.663   7.548
   63    HB3  PRO  11           HB1      PRO  11  -4.687   5.300   8.976
   64    HG2  PRO  11           HG2      PRO  11  -5.991   6.935   7.342
   65    HG3  PRO  11           HG1      PRO  11  -4.436   7.414   8.047
   66    HD2  PRO  11           HD2      PRO  11  -5.056   6.480   5.281
   67    HD3  PRO  11           HD1      PRO  11  -3.906   7.718   5.824
   68    H    ASP  12           H        ASP  12  -3.035   2.994   8.907
   69    HA   ASP  12           HA       ASP  12  -2.208   0.900   7.324
   70    HB2  ASP  12           HB2      ASP  12  -2.092   0.906   9.776
   71    HB3  ASP  12           HB1      ASP  12  -3.844   0.763   9.863
   72    HA   PRO  13           HA       PRO  13  -5.903   0.173   4.888
   73    HB2  PRO  13           HB2      PRO  13  -4.353  -2.198   4.029
   74    HB3  PRO  13           HB1      PRO  13  -5.071  -0.910   3.055
   75    HG2  PRO  13           HG2      PRO  13  -2.432  -1.047   3.416
   76    HG3  PRO  13           HG1      PRO  13  -3.273   0.514   3.376
   77    HD2  PRO  13           HD2      PRO  13  -2.272  -1.039   5.733
   78    HD3  PRO  13           HD1      PRO  13  -2.207   0.708   5.423
   79    H    THR  14           H        THR  14  -7.654  -1.103   5.118
   80    HA   THR  14           HA       THR  14  -7.521  -3.130   7.234
   81    HB   THR  14           HB       THR  14 -10.024  -1.980   6.010
   82    HG1  THR  14           HG1      THR  14  -8.671  -0.975   8.315
   83   HG21  THR  14          HG21      THR  14 -10.983  -2.546   8.202
   84   HG22  THR  14          HG22      THR  14  -9.420  -3.181   8.715
   85   HG23  THR  14          HG23      THR  14 -10.302  -3.965   7.404
   86    H    VAL  15           H        VAL  15  -7.869  -5.234   6.811
   87    HA   VAL  15           HA       VAL  15  -8.576  -5.972   4.059
   88    HB   VAL  15           HB       VAL  15  -7.116  -7.530   6.200
   89   HG11  VAL  15          HG11      VAL  15  -7.972  -8.382   3.442
   90   HG12  VAL  15          HG12      VAL  15  -8.454  -9.098   4.980
   91   HG13  VAL  15          HG13      VAL  15  -6.785  -9.243   4.422
   92   HG21  VAL  15          HG21      VAL  15  -5.223  -7.415   4.668
   93   HG22  VAL  15          HG22      VAL  15  -5.784  -5.798   5.096
   94   HG23  VAL  15          HG23      VAL  15  -6.193  -6.486   3.523
   95    H    ASP  16           H        ASP  16 -10.660  -6.430   3.830
   96    HA   ASP  16           HA       ASP  16 -11.990  -7.977   5.961
   97    HB2  ASP  16           HB2      ASP  16 -13.088  -5.702   4.312
   98    HB3  ASP  16           HB1      ASP  16 -14.132  -6.844   5.147
   99    H    GLN  17           H        GLN  17 -13.947  -9.118   5.180
  100    HA   GLN  17           HA       GLN  17 -14.887 -10.753   3.927
  101    HB2  GLN  17           HB2      GLN  17 -14.222  -8.880   1.657
  102    HB3  GLN  17           HB1      GLN  17 -15.385 -10.176   1.597
  103    HG2  GLN  17           HG2      GLN  17 -15.540  -7.711   3.302
  104    HG3  GLN  17           HG1      GLN  17 -16.520  -8.081   1.884
  105   HE21  GLN  17          HE21      GLN  17 -17.275  -7.515   4.656
  106   HE22  GLN  17          HE22      GLN  17 -18.219  -8.868   5.175
  107    H    VAL  18           H        VAL  18 -12.720 -11.811   4.607
  108    HA   VAL  18           HA       VAL  18 -10.886 -12.347   2.471
  109    HB   VAL  18           HB       VAL  18  -9.820 -13.938   4.020
  110   HG11  VAL  18          HG11      VAL  18 -10.505 -11.265   5.237
  111   HG12  VAL  18          HG12      VAL  18  -9.183 -11.605   4.120
  112   HG13  VAL  18          HG13      VAL  18  -9.168 -12.300   5.740
  113   HG21  VAL  18          HG21      VAL  18 -11.788 -14.794   5.169
  114   HG22  VAL  18          HG22      VAL  18 -12.066 -13.216   5.903
  115   HG23  VAL  18          HG23      VAL  18 -10.630 -14.145   6.331
  116    H    ASP  19           H        ASP  19 -11.156 -13.731   0.901
  117    HA   ASP  19           HA       ASP  19 -13.131 -15.887   1.150
  118    HB2  ASP  19           HB2      ASP  19 -11.595 -14.911  -1.274
  119    HB3  ASP  19           HB1      ASP  19 -12.817 -16.173  -1.288
  120    H    ASP  20           H        ASP  20 -12.100 -17.731  -0.606
  121    HA   ASP  20           HA       ASP  20 -10.141 -19.059   0.949
  122    HB2  ASP  20           HB2      ASP  20 -11.768 -20.246  -0.498
  123    HB3  ASP  20           HB1      ASP  20 -10.955 -19.599  -1.916
  124    H    THR  21           H        THR  21 -10.007 -17.116  -2.003
  125    HA   THR  21           HA       THR  21  -7.094 -16.987  -1.687
  126    HB   THR  21           HB       THR  21  -6.976 -17.102  -4.265
  127    HG1  THR  21           HG1      THR  21  -9.567 -18.099  -3.703
  128   HG21  THR  21          HG21      THR  21  -6.763 -19.550  -4.201
  129   HG22  THR  21          HG22      THR  21  -7.579 -19.575  -2.640
  130   HG23  THR  21          HG23      THR  21  -6.005 -18.795  -2.799
  131    H    SER  22           H        SER  22  -9.410 -15.061  -1.302
  132    HA   SER  22           HA       SER  22  -8.121 -12.848  -2.638
  133    HB2  SER  22           HB2      SER  22 -10.450 -12.030  -3.442
  134    HB3  SER  22           HB1      SER  22  -9.592 -13.236  -4.398
  135    HG   SER  22           HG       SER  22 -11.850 -13.537  -2.737
  136    H    ILE  23           H        ILE  23  -8.697 -10.787  -1.814
  137    HA   ILE  23           HA       ILE  23 -10.379 -10.750   0.598
  138    HB   ILE  23           HB       ILE  23  -8.762  -9.421   1.829
  139   HG12  ILE  23          HG12      ILE  23  -6.738  -9.935  -0.340
  140   HG13  ILE  23          HG11      ILE  23  -7.750  -8.496  -0.350
  141   HG21  ILE  23          HG21      ILE  23  -7.491 -11.942   0.781
  142   HG22  ILE  23          HG22      ILE  23  -8.650 -11.840   2.104
  143   HG23  ILE  23          HG23      ILE  23  -7.055 -11.107   2.271
  144   HD11  ILE  23          HD11      ILE  23  -5.687  -9.289   1.678
  145   HD12  ILE  23          HD12      ILE  23  -6.846  -7.985   1.934
  146   HD13  ILE  23          HD13      ILE  23  -5.690  -7.884   0.607
  147    H    VAL  24           H        VAL  24 -10.915  -8.506   1.254
  148    HA   VAL  24           HA       VAL  24 -10.628  -6.583  -0.961
  149    HB   VAL  24           HB       VAL  24 -12.593  -6.456   1.339
  150   HG11  VAL  24          HG11      VAL  24 -12.014  -4.275   0.433
  151   HG12  VAL  24          HG12      VAL  24 -13.671  -4.704   0.010
  152   HG13  VAL  24          HG13      VAL  24 -12.391  -4.834  -1.196
  153   HG21  VAL  24          HG21      VAL  24 -13.090  -8.346  -0.133
  154   HG22  VAL  24          HG22      VAL  24 -13.086  -7.264  -1.525
  155   HG23  VAL  24          HG23      VAL  24 -14.311  -7.082  -0.269
  156    H    VAL  25           H        VAL  25  -8.797  -5.486  -0.575
  157    HA   VAL  25           HA       VAL  25  -8.209  -4.631   2.161
  158    HB   VAL  25           HB       VAL  25  -6.321  -5.670   1.126
  159   HG11  VAL  25          HG11      VAL  25  -6.741  -3.785  -1.179
  160   HG12  VAL  25          HG12      VAL  25  -6.891  -5.545  -1.183
  161   HG13  VAL  25          HG13      VAL  25  -5.312  -4.795  -0.961
  162   HG21  VAL  25          HG21      VAL  25  -5.778  -3.736   2.486
  163   HG22  VAL  25          HG22      VAL  25  -5.928  -2.684   1.077
  164   HG23  VAL  25          HG23      VAL  25  -4.644  -3.892   1.143
  165    H    ARG  26           H        ARG  26  -8.736  -2.688   2.800
  166    HA   ARG  26           HA       ARG  26  -9.345  -0.653   0.754
  167    HB2  ARG  26           HB2      ARG  26 -10.628  -0.821   3.476
  168    HB3  ARG  26           HB1      ARG  26 -11.161   0.108   2.080
  169    HG2  ARG  26           HG2      ARG  26 -11.632  -2.018   0.903
  170    HG3  ARG  26           HG1      ARG  26 -11.216  -2.885   2.381
  171    HD2  ARG  26           HD2      ARG  26 -13.574  -2.704   2.347
  172    HD3  ARG  26           HD1      ARG  26 -12.997  -1.540   3.538
  173    HE   ARG  26           HE       ARG  26 -13.188  -0.087   1.244
  174   HH11  ARG  26          HH11      ARG  26 -15.395  -2.078   3.090
  175   HH12  ARG  26          HH12      ARG  26 -16.809  -1.224   2.567
  176   HH21  ARG  26          HH21      ARG  26 -15.037   1.041   0.547
  177   HH22  ARG  26          HH22      ARG  26 -16.604   0.567   1.125
  178    H    TRP  27           H        TRP  27  -8.502   1.349   1.003
  179    HA   TRP  27           HA       TRP  27  -6.912   1.856   3.429
  180    HB2  TRP  27           HB2      TRP  27  -5.208   2.960   1.951
  181    HB3  TRP  27           HB1      TRP  27  -5.323   1.216   1.744
  182    HD1  TRP  27           HD1      TRP  27  -6.317   4.489  -0.042
  183    HE1  TRP  27           HE1      TRP  27  -6.596   3.986  -2.551
  184    HE3  TRP  27           HE3      TRP  27  -5.703  -0.585   0.073
  185    HZ2  TRP  27           HZ2      TRP  27  -6.544   1.742  -4.254
  186    HZ3  TRP  27           HZ3      TRP  27  -5.829  -1.834  -2.042
  187    HH2  TRP  27           HH2      TRP  27  -6.240  -0.691  -4.160
  188    H    SER  28           H        SER  28  -6.665   4.045   4.013
  189    HA   SER  28           HA       SER  28  -8.702   5.811   2.859
  190    HB2  SER  28           HB2      SER  28  -7.183   6.121   5.462
  191    HB3  SER  28           HB1      SER  28  -8.583   7.055   4.937
  192    HG   SER  28           HG       SER  28  -9.240   4.487   4.818
  193    H    ARG  29           H        ARG  29  -7.959   7.207   1.379
  194    HA   ARG  29           HA       ARG  29  -5.147   7.950   1.427
  195    HB2  ARG  29           HB2      ARG  29  -5.400   8.713  -0.809
  196    HB3  ARG  29           HB1      ARG  29  -6.220   7.168  -0.692
  197    HG2  ARG  29           HG2      ARG  29  -7.683   8.409  -1.952
  198    HG3  ARG  29           HG1      ARG  29  -8.343   8.616  -0.327
  199    HD2  ARG  29           HD2      ARG  29  -7.282  10.755  -0.113
  200    HD3  ARG  29           HD1      ARG  29  -6.445  10.541  -1.647
  201    HE   ARG  29           HE       ARG  29  -9.160  10.331  -2.184
  202   HH11  ARG  29          HH11      ARG  29  -6.989  12.779  -0.910
  203   HH12  ARG  29          HH12      ARG  29  -7.892  14.098  -1.596
  204   HH21  ARG  29          HH21      ARG  29 -10.329  12.072  -3.088
  205   HH22  ARG  29          HH22      ARG  29  -9.779  13.697  -2.837
  206    HA   PRO  30           HA       PRO  30  -5.742  11.858   3.339
  207    HB2  PRO  30           HB2      PRO  30  -3.861  13.335   1.990
  208    HB3  PRO  30           HB1      PRO  30  -3.487  12.223   3.311
  209    HG2  PRO  30           HG2      PRO  30  -3.304  11.785   0.355
  210    HG3  PRO  30           HG1      PRO  30  -2.166  11.306   1.630
  211    HD2  PRO  30           HD2      PRO  30  -3.867   9.546   0.542
  212    HD3  PRO  30           HD1      PRO  30  -3.455   9.484   2.263
  213    H1   MET  31           HT1      MET  31 -16.843  25.339  -5.847
  214    H2   MET  31           HT2      MET  31 -16.596  25.693  -7.481
  215    H3   MET  31           HT3      MET  31 -18.133  25.244  -6.940
  216    HA   MET  31           HA       MET  31 -17.979  27.619  -7.347
  217    HB2  MET  31           HB2      MET  31 -18.285  26.822  -4.444
  218    HB3  MET  31           HB1      MET  31 -18.786  28.370  -5.107
  219    HG2  MET  31           HG2      MET  31 -20.722  27.040  -4.952
  220    HG3  MET  31           HG1      MET  31 -20.295  27.107  -6.658
  221    HE1  MET  31           HE1      MET  31 -20.530  24.950  -3.437
  222    HE2  MET  31           HE2      MET  31 -18.786  24.927  -3.700
  223    HE3  MET  31           HE3      MET  31 -19.727  23.450  -3.902
  224    H    ARG  32           H        ARG  32 -17.006  29.589  -6.965
  225    HA   ARG  32           HA       ARG  32 -15.335  31.058  -6.546
  226    HB2  ARG  32           HB2      ARG  32 -15.151  29.335  -4.088
  227    HB3  ARG  32           HB1      ARG  32 -14.105  30.727  -4.326
  228    HG2  ARG  32           HG2      ARG  32 -17.094  30.951  -4.447
  229    HG3  ARG  32           HG1      ARG  32 -16.204  31.060  -2.929
  230    HD2  ARG  32           HD2      ARG  32 -16.602  33.280  -3.779
  231    HD3  ARG  32           HD1      ARG  32 -14.882  32.917  -3.879
  232    HE   ARG  32           HE       ARG  32 -16.679  32.738  -6.214
  233   HH11  ARG  32          HH11      ARG  32 -13.680  33.795  -4.721
  234   HH12  ARG  32          HH12      ARG  32 -13.045  34.454  -6.193
  235   HH21  ARG  32          HH21      ARG  32 -15.826  33.603  -8.142
  236   HH22  ARG  32          HH22      ARG  32 -14.252  34.337  -8.132
  237    H    GLY  33           H        GLY  33 -14.760  28.593  -8.088
  238    HA2  GLY  33           HA2      GLY  33 -12.907  27.912  -9.291
  239    HA3  GLY  33           HA1      GLY  33 -11.924  28.998  -8.319
  240    H    SER  34           H        SER  34 -11.902  28.211  -5.895
  241    HA   SER  34           HA       SER  34 -11.108  26.730  -4.383
  242    HB2  SER  34           HB2      SER  34 -12.429  24.654  -6.150
  243    HB3  SER  34           HB1      SER  34 -11.851  24.382  -4.505
  244    HG   SER  34           HG       SER  34 -13.745  26.400  -5.125
  245    H    ASN  35           H        ASN  35  -9.475  27.568  -6.590
  246    HA   ASN  35           HA       ASN  35  -7.951  25.261  -7.419
  247    HB2  ASN  35           HB2      ASN  35  -6.551  26.823  -8.649
  248    HB3  ASN  35           HB1      ASN  35  -8.245  27.163  -8.963
  249   HD21  ASN  35          HD21      ASN  35  -5.788  28.811  -9.153
  250   HD22  ASN  35          HD22      ASN  35  -6.121  30.228  -8.218
  251    H    ALA  36           H        ALA  36  -6.208  24.463  -6.478
  252    HA   ALA  36           HA       ALA  36  -4.412  25.949  -4.863
  253    HB1  ALA  36           HB1      ALA  36  -4.895  24.918  -2.698
  254    HB2  ALA  36           HB2      ALA  36  -6.304  24.115  -3.390
  255    HB3  ALA  36           HB3      ALA  36  -6.263  25.873  -3.268
  256    HA   PRO  37           HA       PRO  37  -2.190  22.261  -6.080
  257    HB2  PRO  37           HB2      PRO  37   0.214  22.978  -5.061
  258    HB3  PRO  37           HB1      PRO  37  -0.424  23.664  -6.559
  259    HG2  PRO  37           HG2      PRO  37  -0.408  24.818  -3.802
  260    HG3  PRO  37           HG1      PRO  37  -0.081  25.616  -5.350
  261    HD2  PRO  37           HD2      PRO  37  -2.465  25.802  -4.047
  262    HD3  PRO  37           HD1      PRO  37  -2.312  25.909  -5.809
  263    H    GLN  38           H        GLN  38  -3.670  21.277  -4.391
  264    HA   GLN  38           HA       GLN  38  -2.811  20.987  -1.713
  265    HB2  GLN  38           HB2      GLN  38  -4.633  19.242  -3.379
  266    HB3  GLN  38           HB1      GLN  38  -4.439  19.113  -1.637
  267    HG2  GLN  38           HG2      GLN  38  -5.459  21.542  -3.095
  268    HG3  GLN  38           HG1      GLN  38  -6.463  20.345  -2.278
  269   HE21  GLN  38          HE21      GLN  38  -4.648  19.991  -0.055
  270   HE22  GLN  38          HE22      GLN  38  -4.769  21.417   0.913
  271    HA   PRO  39           HA       PRO  39   0.499  18.148  -2.628
  272    HB2  PRO  39           HB2      PRO  39   1.502  17.982  -0.143
  273    HB3  PRO  39           HB1      PRO  39   1.680  19.443  -1.121
  274    HG2  PRO  39           HG2      PRO  39  -0.253  18.864   1.085
  275    HG3  PRO  39           HG1      PRO  39   0.662  20.347   0.759
  276    HD2  PRO  39           HD2      PRO  39  -1.967  19.982   0.068
  277    HD3  PRO  39           HD1      PRO  39  -0.868  21.094  -0.769
  278    H    SER  40           H        SER  40  -2.054  17.011  -2.442
  279    HA   SER  40           HA       SER  40  -1.380  14.400  -1.407
  280    HB2  SER  40           HB2      SER  40  -3.831  15.859  -0.382
  281    HB3  SER  40           HB1      SER  40  -3.417  14.179  -0.042
  282    HG   SER  40           HG       SER  40  -1.301  15.582   0.593
  283    H    HIS  41           H        HIS  41  -1.420  14.377  -3.825
  284    HA   HIS  41           HA       HIS  41  -4.119  13.651  -4.736
  285    HB2  HIS  41           HB2      HIS  41  -3.490  15.892  -5.650
  286    HB3  HIS  41           HB1      HIS  41  -2.087  15.152  -6.410
  287    HD1  HIS  41           HD1      HIS  41  -5.719  15.680  -6.837
  288    HD2  HIS  41           HD2      HIS  41  -2.716  13.404  -8.589
  289    HE1  HIS  41           HE1      HIS  41  -6.666  14.875  -9.024
  290    HE2  HIS  41           HE2      HIS  41  -4.898  13.346  -9.966
  291    H    ILE  42           H        ILE  42  -4.007  11.518  -4.998
  292    HA   ILE  42           HA       ILE  42  -1.468  10.266  -5.637
  293    HB   ILE  42           HB       ILE  42  -4.150   9.038  -4.974
  294   HG12  ILE  42          HG12      ILE  42  -2.789   8.280  -2.913
  295   HG13  ILE  42          HG11      ILE  42  -1.646   9.538  -3.369
  296   HG21  ILE  42          HG21      ILE  42  -1.476   7.711  -5.380
  297   HG22  ILE  42          HG22      ILE  42  -2.890   7.560  -6.424
  298   HG23  ILE  42          HG23      ILE  42  -2.932   6.916  -4.782
  299   HD11  ILE  42          HD11      ILE  42  -3.172  10.303  -1.645
  300   HD12  ILE  42          HD12      ILE  42  -4.550   9.952  -2.691
  301   HD13  ILE  42          HD13      ILE  42  -3.402  11.214  -3.137
  302    H    SER  43           H        SER  43  -0.903   9.479  -7.551
  303    HA   SER  43           HA       SER  43  -2.736   9.768  -9.786
  304    HB2  SER  43           HB2      SER  43   0.169   8.917  -9.778
  305    HB3  SER  43           HB1      SER  43  -0.778   9.415 -11.179
  306    HG   SER  43           HG       SER  43  -0.998  11.480 -10.150
  307    H    LYS  44           H        LYS  44  -1.048   7.267  -7.984
  308    HA   LYS  44           HA       LYS  44  -2.915   5.278  -8.846
  309    HB2  LYS  44           HB2      LYS  44  -1.265   3.735  -9.839
  310    HB3  LYS  44           HB1      LYS  44  -1.447   5.206 -10.785
  311    HG2  LYS  44           HG2      LYS  44   0.626   6.079  -9.866
  312    HG3  LYS  44           HG1      LYS  44   0.795   4.646  -8.847
  313    HD2  LYS  44           HD2      LYS  44   0.928   3.243 -10.857
  314    HD3  LYS  44           HD1      LYS  44   0.776   4.681 -11.868
  315    HE2  LYS  44           HE2      LYS  44   2.859   5.558 -10.974
  316    HE3  LYS  44           HE1      LYS  44   3.001   4.175  -9.894
  317    HZ1  LYS  44           HZ1      LYS  44   4.382   3.943 -11.871
  318    HZ2  LYS  44           HZ2      LYS  44   3.011   4.031 -12.858
  319    HZ3  LYS  44           HZ3      LYS  44   3.208   2.730 -11.795
  320    H    TYR  45           H        TYR  45  -2.962   3.520  -7.494
  321    HA   TYR  45           HA       TYR  45  -1.092   3.563  -5.212
  322    HB2  TYR  45           HB2      TYR  45  -3.706   2.051  -5.439
  323    HB3  TYR  45           HB1      TYR  45  -2.735   2.271  -3.993
  324    HD1  TYR  45           HD1      TYR  45  -2.761   4.417  -2.798
  325    HD2  TYR  45           HD2      TYR  45  -5.190   3.763  -6.227
  326    HE1  TYR  45           HE1      TYR  45  -4.129   6.370  -2.197
  327    HE2  TYR  45           HE2      TYR  45  -6.558   5.714  -5.639
  328    HH   TYR  45           HH       TYR  45  -7.125   7.031  -3.671
  329    H    ILE  46           H        ILE  46   0.420   1.975  -5.144
  330    HA   ILE  46           HA       ILE  46  -0.007  -0.357  -6.880
  331    HB   ILE  46           HB       ILE  46   2.544   0.709  -5.656
  332   HG12  ILE  46          HG12      ILE  46   3.207   0.741  -8.131
  333   HG13  ILE  46          HG11      ILE  46   1.499   0.514  -8.481
  334   HG21  ILE  46          HG21      ILE  46   2.165  -1.790  -7.298
  335   HG22  ILE  46          HG22      ILE  46   2.555  -1.729  -5.580
  336   HG23  ILE  46          HG23      ILE  46   3.709  -1.123  -6.768
  337   HD11  ILE  46          HD11      ILE  46   2.731   2.830  -7.014
  338   HD12  ILE  46          HD12      ILE  46   1.004   2.601  -7.290
  339   HD13  ILE  46          HD13      ILE  46   2.091   2.839  -8.657
  340    H    LEU  47           H        LEU  47  -0.733  -2.116  -5.965
  341    HA   LEU  47           HA       LEU  47  -0.352  -2.531  -3.090
  342    HB2  LEU  47           HB2      LEU  47  -2.587  -2.792  -4.511
  343    HB3  LEU  47           HB1      LEU  47  -1.931  -4.381  -4.833
  344    HG   LEU  47           HG       LEU  47  -3.499  -4.530  -3.019
  345   HD11  LEU  47          HD11      LEU  47  -0.664  -4.762  -2.043
  346   HD12  LEU  47          HD12      LEU  47  -1.642  -6.015  -2.806
  347   HD13  LEU  47          HD13      LEU  47  -2.073  -5.417  -1.208
  348   HD21  LEU  47          HD21      LEU  47  -3.420  -2.203  -2.291
  349   HD22  LEU  47          HD22      LEU  47  -1.827  -2.478  -1.585
  350   HD23  LEU  47          HD23      LEU  47  -3.236  -3.318  -0.937
  351    H    ARG  48           H        ARG  48   1.428  -3.597  -2.560
  352    HA   ARG  48           HA       ARG  48   2.356  -5.774  -4.318
  353    HB2  ARG  48           HB2      ARG  48   3.826  -3.841  -2.563
  354    HB3  ARG  48           HB1      ARG  48   4.537  -5.407  -2.925
  355    HG2  ARG  48           HG2      ARG  48   4.546  -4.930  -5.247
  356    HG3  ARG  48           HG1      ARG  48   3.617  -3.450  -5.006
  357    HD2  ARG  48           HD2      ARG  48   5.470  -2.498  -3.729
  358    HD3  ARG  48           HD1      ARG  48   6.392  -3.986  -3.950
  359    HE   ARG  48           HE       ARG  48   5.760  -3.203  -6.474
  360   HH11  ARG  48          HH11      ARG  48   7.332  -1.604  -3.788
  361   HH12  ARG  48          HH12      ARG  48   8.388  -0.673  -4.801
  362   HH21  ARG  48          HH21      ARG  48   7.144  -2.009  -7.808
  363   HH22  ARG  48          HH22      ARG  48   8.290  -0.908  -7.097
  364    H    TRP  49           H        TRP  49   2.173  -7.780  -3.550
  365    HA   TRP  49           HA       TRP  49   2.326  -8.141  -0.647
  366    HB2  TRP  49           HB2      TRP  49   0.502  -9.728  -0.626
  367    HB3  TRP  49           HB1      TRP  49  -0.060  -8.195  -1.276
  368    HD1  TRP  49           HD1      TRP  49   0.227 -11.845  -2.096
  369    HE1  TRP  49           HE1      TRP  49  -0.841 -12.298  -4.392
  370    HE3  TRP  49           HE3      TRP  49  -0.337  -7.027  -3.697
  371    HZ2  TRP  49           HZ2      TRP  49  -1.787 -10.814  -6.593
  372    HZ3  TRP  49           HZ3      TRP  49  -1.335  -6.627  -5.908
  373    HH2  TRP  49           HH2      TRP  49  -2.044  -8.481  -7.325
  374    H    ARG  50           H        ARG  50   3.224 -10.020   0.063
  375    HA   ARG  50           HA       ARG  50   4.142 -12.026  -1.831
  376    HB2  ARG  50           HB2      ARG  50   5.881 -10.244  -1.882
  377    HB3  ARG  50           HB1      ARG  50   6.082 -10.422  -0.146
  378    HG2  ARG  50           HG2      ARG  50   6.750 -12.789  -0.536
  379    HG3  ARG  50           HG1      ARG  50   6.710 -12.457  -2.269
  380    HD2  ARG  50           HD2      ARG  50   8.974 -12.254  -1.460
  381    HD3  ARG  50           HD1      ARG  50   8.370 -10.666  -1.933
  382    HE   ARG  50           HE       ARG  50   7.952 -11.164   0.843
  383   HH11  ARG  50          HH11      ARG  50  10.396 -10.242  -1.491
  384   HH12  ARG  50          HH12      ARG  50  11.342  -9.360  -0.335
  385   HH21  ARG  50          HH21      ARG  50   9.189 -10.025   2.371
  386   HH22  ARG  50          HH22      ARG  50  10.661  -9.237   1.862
  387    HA   PRO  51           HA       PRO  51   3.227 -14.361   1.863
  388    HB2  PRO  51           HB2      PRO  51   4.232 -16.754   1.046
  389    HB3  PRO  51           HB1      PRO  51   2.676 -16.120   0.499
  390    HG2  PRO  51           HG2      PRO  51   5.328 -16.084  -0.883
  391    HG3  PRO  51           HG1      PRO  51   3.721 -16.415  -1.552
  392    HD2  PRO  51           HD2      PRO  51   4.959 -14.023  -1.834
  393    HD3  PRO  51           HD1      PRO  51   3.195 -14.181  -1.726
  394    H    LYS  52           H        LYS  52   4.291 -15.019   3.678
  395    HA   LYS  52           HA       LYS  52   6.881 -14.005   4.109
  396    HB2  LYS  52           HB2      LYS  52   4.966 -15.648   5.685
  397    HB3  LYS  52           HB1      LYS  52   6.608 -15.460   6.280
  398    HG2  LYS  52           HG2      LYS  52   4.701 -13.212   5.661
  399    HG3  LYS  52           HG1      LYS  52   5.061 -13.841   7.269
  400    HD2  LYS  52           HD2      LYS  52   7.022 -12.530   5.384
  401    HD3  LYS  52           HD1      LYS  52   6.329 -11.809   6.835
  402    HE2  LYS  52           HE2      LYS  52   8.132 -14.227   6.732
  403    HE3  LYS  52           HE1      LYS  52   8.590 -12.609   7.252
  404    HZ1  LYS  52           HZ1      LYS  52   7.027 -12.789   9.082
  405    HZ2  LYS  52           HZ2      LYS  52   8.144 -14.055   9.132
  406    HZ3  LYS  52           HZ3      LYS  52   6.573 -14.336   8.578
  407    H    ASN  53           H        ASN  53   5.855 -17.053   2.945
  408    HA   ASN  53           HA       ASN  53   8.262 -18.452   3.690
  409    HB2  ASN  53           HB2      ASN  53   7.379 -20.271   2.282
  410    HB3  ASN  53           HB1      ASN  53   6.171 -19.695   3.426
  411   HD21  ASN  53          HD21      ASN  53   7.125 -19.843   0.109
  412   HD22  ASN  53          HD22      ASN  53   5.621 -19.329  -0.565
  413    H    SER  54           H        SER  54   7.597 -16.101   1.472
  414    HA   SER  54           HA       SER  54   9.847 -16.950  -0.221
  415    HB2  SER  54           HB2      SER  54   7.433 -15.349  -1.109
  416    HB3  SER  54           HB1      SER  54   8.787 -15.839  -2.125
  417    HG   SER  54           HG       SER  54   8.083 -18.072  -1.289
  418    H    VAL  55           H        VAL  55  11.523 -15.578  -0.148
  419    HA   VAL  55           HA       VAL  55  11.060 -12.840   0.779
  420    HB   VAL  55           HB       VAL  55  12.731 -14.358   1.940
  421   HG11  VAL  55          HG11      VAL  55  13.689 -15.410  -0.035
  422   HG12  VAL  55          HG12      VAL  55  14.933 -14.616   0.930
  423   HG13  VAL  55          HG13      VAL  55  14.349 -13.859  -0.552
  424   HG21  VAL  55          HG21      VAL  55  14.399 -12.581   2.207
  425   HG22  VAL  55          HG22      VAL  55  12.743 -11.975   2.272
  426   HG23  VAL  55          HG23      VAL  55  13.708 -11.748   0.814
  427    H    GLY  56           H        GLY  56  10.874 -14.289  -1.993
  428    HA2  GLY  56           HA2      GLY  56  12.828 -12.866  -3.577
  429    HA3  GLY  56           HA1      GLY  56  11.619 -13.990  -4.170
  430    H    ARG  57           H        ARG  57  10.066 -13.138  -5.371
  431    HA   ARG  57           HA       ARG  57  10.101 -10.258  -5.715
  432    HB2  ARG  57           HB2      ARG  57   8.793 -12.469  -7.294
  433    HB3  ARG  57           HB1      ARG  57   8.654 -10.765  -7.700
  434    HG2  ARG  57           HG2      ARG  57  11.110 -10.663  -7.947
  435    HG3  ARG  57           HG1      ARG  57  11.181 -12.401  -7.644
  436    HD2  ARG  57           HD2      ARG  57   9.829 -12.833  -9.598
  437    HD3  ARG  57           HD1      ARG  57   9.613 -11.106  -9.868
  438    HE   ARG  57           HE       ARG  57  12.354 -12.065  -9.871
  439   HH11  ARG  57          HH11      ARG  57   9.528 -11.196 -11.747
  440   HH12  ARG  57          HH12      ARG  57  10.420 -10.959 -13.214
  441   HH21  ARG  57          HH21      ARG  57  13.531 -11.757 -11.813
  442   HH22  ARG  57          HH22      ARG  57  12.693 -11.283 -13.253
  443    H    TRP  58           H        TRP  58   8.396  -8.896  -5.565
  444    HA   TRP  58           HA       TRP  58   6.080  -9.779  -4.024
  445    HB2  TRP  58           HB2      TRP  58   6.905  -7.016  -4.957
  446    HB3  TRP  58           HB1      TRP  58   5.523  -7.366  -3.930
  447    HD1  TRP  58           HD1      TRP  58   9.385  -7.616  -3.829
  448    HE1  TRP  58           HE1      TRP  58  10.128  -7.337  -1.382
  449    HE3  TRP  58           HE3      TRP  58   4.786  -7.413  -1.606
  450    HZ2  TRP  58           HZ2      TRP  58   8.924  -7.063   1.149
  451    HZ3  TRP  58           HZ3      TRP  58   4.671  -7.137   0.837
  452    HH2  TRP  58           HH2      TRP  58   6.700  -6.967   2.185
  453    H    LYS  59           H        LYS  59   3.986  -9.740  -4.825
  454    HA   LYS  59           HA       LYS  59   3.695  -9.516  -7.704
  455    HB2  LYS  59           HB2      LYS  59   1.571 -10.036  -5.611
  456    HB3  LYS  59           HB1      LYS  59   1.404 -10.254  -7.347
  457    HG2  LYS  59           HG2      LYS  59   3.196 -11.985  -7.225
  458    HG3  LYS  59           HG1      LYS  59   3.129 -11.841  -5.468
  459    HD2  LYS  59           HD2      LYS  59   0.716 -12.413  -5.566
  460    HD3  LYS  59           HD1      LYS  59   0.886 -12.676  -7.302
  461    HE2  LYS  59           HE2      LYS  59   2.305 -14.177  -5.109
  462    HE3  LYS  59           HE1      LYS  59   0.994 -14.784  -6.117
  463    HZ1  LYS  59           HZ1      LYS  59   2.451 -14.526  -8.052
  464    HZ2  LYS  59           HZ2      LYS  59   3.099 -15.592  -6.913
  465    HZ3  LYS  59           HZ3      LYS  59   3.712 -14.021  -7.043
  466    H    GLU  60           H        GLU  60   2.826  -7.798  -8.756
  467    HA   GLU  60           HA       GLU  60   2.172  -5.484  -7.057
  468    HB2  GLU  60           HB2      GLU  60   3.553  -5.535  -9.743
  469    HB3  GLU  60           HB1      GLU  60   3.102  -4.076  -8.874
  470    HG2  GLU  60           HG2      GLU  60   4.585  -4.700  -7.048
  471    HG3  GLU  60           HG1      GLU  60   5.038  -6.167  -7.909
  472    H    ALA  61           H        ALA  61   0.239  -4.642  -7.275
  473    HA   ALA  61           HA       ALA  61  -1.086  -4.786  -9.901
  474    HB1  ALA  61           HB1      ALA  61  -2.191  -6.332  -8.356
  475    HB2  ALA  61           HB2      ALA  61  -3.245  -4.983  -8.779
  476    HB3  ALA  61           HB3      ALA  61  -2.437  -5.014  -7.212
  477    H    THR  62           H        THR  62  -1.640  -2.837 -10.685
  478    HA   THR  62           HA       THR  62  -1.299  -0.533  -8.916
  479    HB   THR  62           HB       THR  62  -1.464  -0.613 -11.936
  480    HG1  THR  62           HG1      THR  62   0.453  -1.571 -10.765
  481   HG21  THR  62          HG21      THR  62  -0.685   1.615 -10.052
  482   HG22  THR  62          HG22      THR  62  -2.163   1.540 -11.012
  483   HG23  THR  62          HG23      THR  62  -0.597   1.679 -11.812
  484    H    ILE  63           H        ILE  63  -2.960   0.569  -8.206
  485    HA   ILE  63           HA       ILE  63  -5.597   0.189  -9.465
  486    HB   ILE  63           HB       ILE  63  -4.935   1.036  -6.632
  487   HG12  ILE  63          HG12      ILE  63  -6.279  -1.199  -6.229
  488   HG13  ILE  63          HG11      ILE  63  -5.714  -1.583  -7.849
  489   HG21  ILE  63          HG21      ILE  63  -7.314   0.888  -6.188
  490   HG22  ILE  63          HG22      ILE  63  -7.616   0.456  -7.870
  491   HG23  ILE  63          HG23      ILE  63  -6.997   2.058  -7.470
  492   HD11  ILE  63          HD11      ILE  63  -3.977  -0.912  -5.485
  493   HD12  ILE  63          HD12      ILE  63  -3.406  -1.292  -7.111
  494   HD13  ILE  63          HD13      ILE  63  -4.249  -2.518  -6.162
  495    HA   PRO  64           HA       PRO  64  -5.444   4.406 -10.957
  496    HB2  PRO  64           HB2      PRO  64  -8.354   4.218 -10.292
  497    HB3  PRO  64           HB1      PRO  64  -7.571   4.812 -11.765
  498    HG2  PRO  64           HG2      PRO  64  -8.687   2.404 -11.715
  499    HG3  PRO  64           HG1      PRO  64  -7.152   2.670 -12.563
  500    HD2  PRO  64           HD2      PRO  64  -7.675   1.332  -9.954
  501    HD3  PRO  64           HD1      PRO  64  -6.437   0.982 -11.177
  502    H    GLY  65           H        GLY  65  -5.256   6.386 -10.034
  503    HA2  GLY  65           HA2      GLY  65  -5.226   6.500  -7.179
  504    HA3  GLY  65           HA1      GLY  65  -4.801   7.798  -8.278
  505    H    HIS  66           H        HIS  66  -7.812   6.018  -7.689
  506    HA   HIS  66           HA       HIS  66  -9.003   8.215  -6.298
  507    HB2  HIS  66           HB2      HIS  66 -10.903   8.531  -7.882
  508    HB3  HIS  66           HB1      HIS  66  -9.365   9.104  -8.511
  509    HD1  HIS  66           HD1      HIS  66  -8.661   8.221 -10.735
  510    HD2  HIS  66           HD2      HIS  66 -11.748   5.999  -9.066
  511    HE1  HIS  66           HE1      HIS  66  -9.417   6.656 -12.544
  512    HE2  HIS  66           HE2      HIS  66 -11.389   5.429 -11.563
  513    H    LEU  67           H        LEU  67  -8.451   5.179  -6.440
  514    HA   LEU  67           HA       LEU  67 -11.133   4.358  -5.556
  515    HB2  LEU  67           HB2      LEU  67  -8.850   2.624  -6.511
  516    HB3  LEU  67           HB1      LEU  67 -10.401   2.037  -5.948
  517    HG   LEU  67           HG       LEU  67  -9.875   3.631  -8.457
  518   HD11  LEU  67          HD11      LEU  67  -9.272   1.295  -8.631
  519   HD12  LEU  67          HD12      LEU  67 -10.720   1.630  -9.577
  520   HD13  LEU  67          HD13      LEU  67 -10.853   0.820  -8.017
  521   HD21  LEU  67          HD21      LEU  67 -11.980   4.349  -7.472
  522   HD22  LEU  67          HD22      LEU  67 -12.497   2.671  -7.316
  523   HD23  LEU  67          HD23      LEU  67 -12.271   3.379  -8.915
  524    H    ASN  68           H        ASN  68 -11.170   2.913  -3.665
  525    HA   ASN  68           HA       ASN  68  -8.912   3.498  -1.870
  526    HB2  ASN  68           HB2      ASN  68 -11.852   3.839  -1.396
  527    HB3  ASN  68           HB1      ASN  68 -10.756   3.560  -0.047
  528   HD21  ASN  68          HD21      ASN  68  -9.300   5.120   0.535
  529   HD22  ASN  68          HD22      ASN  68  -9.404   6.751  -0.049
  530    H    SER  69           H        SER  69 -10.423   1.042  -3.366
  531    HA   SER  69           HA       SER  69  -9.513  -0.821  -1.342
  532    HB2  SER  69           HB2      SER  69 -11.645  -2.124  -1.423
  533    HB3  SER  69           HB1      SER  69 -11.809  -0.545  -0.657
  534    HG   SER  69           HG       SER  69 -12.516   0.188  -2.814
  535    H    TYR  70           H        TYR  70  -9.073  -2.890  -2.128
  536    HA   TYR  70           HA       TYR  70  -9.500  -3.369  -4.980
  537    HB2  TYR  70           HB2      TYR  70  -7.284  -2.329  -4.813
  538    HB3  TYR  70           HB1      TYR  70  -6.798  -3.532  -3.626
  539    HD1  TYR  70           HD1      TYR  70  -8.143  -3.346  -7.110
  540    HD2  TYR  70           HD2      TYR  70  -5.586  -5.351  -4.366
  541    HE1  TYR  70           HE1      TYR  70  -7.339  -4.794  -8.928
  542    HE2  TYR  70           HE2      TYR  70  -4.773  -6.805  -6.174
  543    HH   TYR  70           HH       TYR  70  -5.340  -6.165  -9.446
  544    H    THR  71           H        THR  71  -9.922  -5.459  -5.445
  545    HA   THR  71           HA       THR  71  -9.938  -7.355  -3.236
  546    HB   THR  71           HB       THR  71 -11.034  -7.668  -6.042
  547    HG1  THR  71           HG1      THR  71 -12.869  -7.481  -4.038
  548   HG21  THR  71          HG21      THR  71 -10.577  -9.808  -4.946
  549   HG22  THR  71          HG22      THR  71 -12.313  -9.531  -5.081
  550   HG23  THR  71          HG23      THR  71 -11.499  -9.291  -3.535
  551    H    ILE  72           H        ILE  72  -7.933  -8.149  -2.938
  552    HA   ILE  72           HA       ILE  72  -6.136  -8.690  -5.115
  553    HB   ILE  72           HB       ILE  72  -5.887  -9.544  -2.226
  554   HG12  ILE  72          HG12      ILE  72  -4.793  -7.091  -3.621
  555   HG13  ILE  72          HG11      ILE  72  -6.076  -7.103  -2.414
  556   HG21  ILE  72          HG21      ILE  72  -3.831  -9.325  -4.421
  557   HG22  ILE  72          HG22      ILE  72  -4.458 -10.816  -3.720
  558   HG23  ILE  72          HG23      ILE  72  -3.491  -9.717  -2.737
  559   HD11  ILE  72          HD11      ILE  72  -4.096  -6.430  -1.314
  560   HD12  ILE  72          HD12      ILE  72  -3.171  -7.752  -2.031
  561   HD13  ILE  72          HD13      ILE  72  -4.404  -8.096  -0.819
  562    H    LYS  73           H        LYS  73  -6.342 -10.404  -6.379
  563    HA   LYS  73           HA       LYS  73  -7.427 -12.885  -5.250
  564    HB2  LYS  73           HB2      LYS  73  -7.097 -11.964  -8.109
  565    HB3  LYS  73           HB1      LYS  73  -7.616 -13.583  -7.659
  566    HG2  LYS  73           HG2      LYS  73  -9.599 -12.720  -6.623
  567    HG3  LYS  73           HG1      LYS  73  -9.059 -11.060  -6.882
  568    HD2  LYS  73           HD2      LYS  73  -9.196 -11.359  -9.283
  569    HD3  LYS  73           HD1      LYS  73  -9.631 -13.056  -9.071
  570    HE2  LYS  73           HE2      LYS  73 -11.252 -10.755  -8.000
  571    HE3  LYS  73           HE1      LYS  73 -11.554 -11.529  -9.555
  572    HZ1  LYS  73           HZ1      LYS  73 -11.971 -13.604  -8.426
  573    HZ2  LYS  73           HZ2      LYS  73 -12.972 -12.404  -7.786
  574    HZ3  LYS  73           HZ3      LYS  73 -11.611 -12.911  -6.925
  575    H    GLY  74           H        GLY  74  -6.184 -14.636  -5.020
  576    HA2  GLY  74           HA2      GLY  74  -4.383 -16.043  -5.891
  577    HA3  GLY  74           HA1      GLY  74  -3.492 -14.568  -6.237
  578    H    LEU  75           H        LEU  75  -5.287 -14.963  -3.285
  579    HA   LEU  75           HA       LEU  75  -2.753 -15.046  -1.804
  580    HB2  LEU  75           HB2      LEU  75  -5.531 -14.237  -0.945
  581    HB3  LEU  75           HB1      LEU  75  -4.159 -14.337   0.141
  582    HG   LEU  75           HG       LEU  75  -4.369 -12.476  -2.230
  583   HD11  LEU  75          HD11      LEU  75  -5.898 -11.854  -0.456
  584   HD12  LEU  75          HD12      LEU  75  -4.552 -10.719  -0.539
  585   HD13  LEU  75          HD13      LEU  75  -4.593 -11.947   0.726
  586   HD21  LEU  75          HD21      LEU  75  -2.071 -13.102  -1.789
  587   HD22  LEU  75          HD22      LEU  75  -2.277 -12.737  -0.075
  588   HD23  LEU  75          HD23      LEU  75  -2.357 -11.441  -1.270
  589    H    LYS  76           H        LYS  76  -2.167 -16.878  -0.867
  590    HA   LYS  76           HA       LYS  76  -3.875 -19.168  -0.885
  591    HB2  LYS  76           HB2      LYS  76  -1.152 -18.689   0.329
  592    HB3  LYS  76           HB1      LYS  76  -1.964 -20.248   0.335
  593    HG2  LYS  76           HG2      LYS  76  -1.915 -20.336  -2.072
  594    HG3  LYS  76           HG1      LYS  76  -1.237 -18.708  -2.147
  595    HD2  LYS  76           HD2      LYS  76   0.781 -19.448  -1.057
  596    HD3  LYS  76           HD1      LYS  76   0.097 -21.053  -0.801
  597    HE2  LYS  76           HE2      LYS  76   1.667 -21.019  -2.681
  598    HE3  LYS  76           HE1      LYS  76   0.034 -21.433  -3.198
  599    HZ1  LYS  76           HZ1      LYS  76   1.130 -19.850  -4.692
  600    HZ2  LYS  76           HZ2      LYS  76   1.249 -18.734  -3.428
  601    HZ3  LYS  76           HZ3      LYS  76  -0.271 -19.200  -4.002
  602    HA   PRO  77           HA       PRO  77  -5.805 -18.431   3.047
  603    HB2  PRO  77           HB2      PRO  77  -7.026 -20.837   3.299
  604    HB3  PRO  77           HB1      PRO  77  -7.606 -19.581   2.198
  605    HG2  PRO  77           HG2      PRO  77  -5.971 -22.014   1.605
  606    HG3  PRO  77           HG1      PRO  77  -7.313 -21.312   0.685
  607    HD2  PRO  77           HD2      PRO  77  -4.698 -20.954   0.019
  608    HD3  PRO  77           HD1      PRO  77  -5.966 -19.766  -0.342
  609    H    GLY  78           H        GLY  78  -4.679 -18.428   4.873
  610    HA2  GLY  78           HA2      GLY  78  -3.839 -19.432   6.822
  611    HA3  GLY  78           HA1      GLY  78  -3.716 -20.956   5.955
  612    H    VAL  79           H        VAL  79  -2.489 -18.209   4.355
  613    HA   VAL  79           HA       VAL  79   0.256 -18.882   5.187
  614    HB   VAL  79           HB       VAL  79  -0.703 -18.011   2.450
  615   HG11  VAL  79          HG11      VAL  79   2.099 -18.530   3.424
  616   HG12  VAL  79          HG12      VAL  79   1.435 -16.966   2.949
  617   HG13  VAL  79          HG13      VAL  79   1.635 -18.244   1.748
  618   HG21  VAL  79          HG21      VAL  79  -1.109 -20.358   2.874
  619   HG22  VAL  79          HG22      VAL  79   0.557 -20.570   3.414
  620   HG23  VAL  79          HG23      VAL  79   0.222 -20.174   1.729
  621    H    VAL  80           H        VAL  80   1.392 -17.239   6.029
  622    HA   VAL  80           HA       VAL  80   0.139 -14.691   6.364
  623    HB   VAL  80           HB       VAL  80   2.971 -15.470   7.061
  624   HG11  VAL  80          HG11      VAL  80   1.212 -13.220   8.036
  625   HG12  VAL  80          HG12      VAL  80   2.651 -13.069   7.027
  626   HG13  VAL  80          HG13      VAL  80   2.797 -13.630   8.692
  627   HG21  VAL  80          HG21      VAL  80   2.088 -15.865   9.329
  628   HG22  VAL  80          HG22      VAL  80   1.407 -16.977   8.140
  629   HG23  VAL  80          HG23      VAL  80   0.453 -15.611   8.720
  630    H    TYR  81           H        TYR  81   0.392 -12.880   5.247
  631    HA   TYR  81           HA       TYR  81   2.404 -12.868   3.095
  632    HB2  TYR  81           HB2      TYR  81  -0.448 -11.935   3.138
  633    HB3  TYR  81           HB1      TYR  81   0.702 -11.201   2.030
  634    HD1  TYR  81           HD1      TYR  81  -0.989 -14.366   2.929
  635    HD2  TYR  81           HD2      TYR  81   1.398 -12.325   0.062
  636    HE1  TYR  81           HE1      TYR  81  -1.389 -16.178   1.314
  637    HE2  TYR  81           HE2      TYR  81   1.009 -14.132  -1.558
  638    HH   TYR  81           HH       TYR  81   0.370 -16.435  -1.636
  639    H    GLU  82           H        GLU  82   3.484 -10.985   2.657
  640    HA   GLU  82           HA       GLU  82   3.204  -8.776   4.581
  641    HB2  GLU  82           HB2      GLU  82   5.306  -9.176   2.436
  642    HB3  GLU  82           HB1      GLU  82   5.333  -7.979   3.720
  643    HG2  GLU  82           HG2      GLU  82   5.583  -9.746   5.374
  644    HG3  GLU  82           HG1      GLU  82   5.531 -10.957   4.092
  645    H    GLY  83           H        GLY  83   2.486  -6.773   3.888
  646    HA2  GLY  83           HA2      GLY  83   1.884  -6.538   1.009
  647    HA3  GLY  83           HA1      GLY  83   0.688  -6.125   2.229
  648    H    GLN  84           H        GLN  84   2.114  -4.582   0.083
  649    HA   GLN  84           HA       GLN  84   2.781  -2.291   1.800
  650    HB2  GLN  84           HB2      GLN  84   4.266  -3.077  -0.715
  651    HB3  GLN  84           HB1      GLN  84   4.532  -1.606   0.205
  652    HG2  GLN  84           HG2      GLN  84   5.244  -2.970   2.124
  653    HG3  GLN  84           HG1      GLN  84   5.039  -4.420   1.140
  654   HE21  GLN  84          HE21      GLN  84   6.458  -4.802  -0.569
  655   HE22  GLN  84          HE22      GLN  84   7.987  -3.999  -0.688
  656    H    LEU  85           H        LEU  85   1.443  -0.673   1.369
  657    HA   LEU  85           HA       LEU  85   0.248  -0.474  -1.306
  658    HB2  LEU  85           HB2      LEU  85  -1.225  -0.505   0.742
  659    HB3  LEU  85           HB1      LEU  85  -0.498   1.010   1.224
  660    HG   LEU  85           HG       LEU  85  -2.786   1.146   0.146
  661   HD11  LEU  85          HD11      LEU  85  -2.280   3.142  -1.133
  662   HD12  LEU  85          HD12      LEU  85  -0.573   2.700  -1.171
  663   HD13  LEU  85          HD13      LEU  85  -1.347   3.097   0.364
  664   HD21  LEU  85          HD21      LEU  85  -2.905   1.052  -2.278
  665   HD22  LEU  85          HD22      LEU  85  -2.414  -0.506  -1.616
  666   HD23  LEU  85          HD23      LEU  85  -1.216   0.553  -2.357
  667    H    ILE  86           H        ILE  86   1.538   0.679  -2.620
  668    HA   ILE  86           HA       ILE  86   2.951   3.003  -1.500
  669    HB   ILE  86           HB       ILE  86   3.406   1.780  -4.228
  670   HG12  ILE  86          HG12      ILE  86   5.603   1.004  -3.013
  671   HG13  ILE  86          HG11      ILE  86   4.610   1.110  -1.565
  672   HG21  ILE  86          HG21      ILE  86   5.490   3.033  -4.180
  673   HG22  ILE  86          HG22      ILE  86   5.106   3.639  -2.569
  674   HG23  ILE  86          HG23      ILE  86   4.114   4.114  -3.950
  675   HD11  ILE  86          HD11      ILE  86   4.088  -0.612  -3.976
  676   HD12  ILE  86          HD12      ILE  86   3.021  -0.469  -2.578
  677   HD13  ILE  86          HD13      ILE  86   4.635  -1.147  -2.388
  678    H    SER  87           H        SER  87   1.750   4.780  -1.631
  679    HA   SER  87           HA       SER  87   0.021   5.213  -3.934
  680    HB2  SER  87           HB2      SER  87   0.483   6.925  -1.485
  681    HB3  SER  87           HB1      SER  87  -0.751   7.200  -2.713
  682    HG   SER  87           HG       SER  87  -0.789   4.670  -1.680
  683    H    ILE  88           H        ILE  88   0.940   5.978  -5.710
  684    HA   ILE  88           HA       ILE  88   3.261   7.731  -5.537
  685    HB   ILE  88           HB       ILE  88   1.820   6.701  -7.989
  686   HG12  ILE  88          HG12      ILE  88   2.811   4.874  -6.693
  687   HG13  ILE  88          HG11      ILE  88   3.688   5.120  -8.197
  688   HG21  ILE  88          HG21      ILE  88   4.493   8.073  -7.706
  689   HG22  ILE  88          HG22      ILE  88   3.038   8.752  -8.435
  690   HG23  ILE  88          HG23      ILE  88   3.849   7.383  -9.196
  691   HD11  ILE  88          HD11      ILE  88   4.546   6.051  -5.469
  692   HD12  ILE  88          HD12      ILE  88   5.425   6.330  -6.972
  693   HD13  ILE  88          HD13      ILE  88   5.208   4.687  -6.369
  694    H    GLN  89           H        GLN  89   2.755   9.750  -5.010
  695    HA   GLN  89           HA       GLN  89   0.302  10.966  -5.943
  696    HB2  GLN  89           HB2      GLN  89   2.521  11.857  -4.124
  697    HB3  GLN  89           HB1      GLN  89   1.262  12.965  -4.652
  698    HG2  GLN  89           HG2      GLN  89  -0.437  11.596  -3.635
  699    HG3  GLN  89           HG1      GLN  89   0.757  10.367  -3.218
  700   HE21  GLN  89          HE21      GLN  89   2.056  10.660  -1.457
  701   HE22  GLN  89          HE22      GLN  89   1.827  11.938  -0.304
  702    H    GLN  90           H        GLN  90   0.190  12.883  -7.089
  703    HA   GLN  90           HA       GLN  90   1.429  12.806  -9.546
  704    HB2  GLN  90           HB2      GLN  90  -0.727  13.912  -9.003
  705    HB3  GLN  90           HB1      GLN  90   0.164  15.219  -8.241
  706    HG2  GLN  90           HG2      GLN  90   1.278  15.607 -10.461
  707    HG3  GLN  90           HG1      GLN  90   0.119  14.468 -11.149
  708   HE21  GLN  90          HE21      GLN  90   0.574  17.590  -9.725
  709   HE22  GLN  90          HE22      GLN  90  -0.967  18.245 -10.163
  710    H    TYR  91           H        TYR  91   2.537  14.348  -6.667
  711    HA   TYR  91           HA       TYR  91   4.345  16.151  -8.028
  712    HB2  TYR  91           HB2      TYR  91   4.056  15.528  -5.079
  713    HB3  TYR  91           HB1      TYR  91   4.986  16.856  -5.766
  714    HD1  TYR  91           HD1      TYR  91   1.560  15.534  -5.301
  715    HD2  TYR  91           HD2      TYR  91   3.936  18.895  -6.377
  716    HE1  TYR  91           HE1      TYR  91  -0.437  16.962  -5.229
  717    HE2  TYR  91           HE2      TYR  91   1.942  20.331  -6.307
  718    HH   TYR  91           HH       TYR  91  -1.047  19.265  -4.991
  719    H    GLY  92           H        GLY  92   4.451  12.987  -7.776
  720    HA2  GLY  92           HA2      GLY  92   6.205  11.499  -8.054
  721    HA3  GLY  92           HA1      GLY  92   7.333  12.832  -7.823
  722    H    HIS  93           H        HIS  93   4.913  12.563  -5.483
  723    HA   HIS  93           HA       HIS  93   6.899  11.855  -3.485
  724    HB2  HIS  93           HB2      HIS  93   5.375  13.836  -3.218
  725    HB3  HIS  93           HB1      HIS  93   4.023  12.719  -3.100
  726    HD1  HIS  93           HD1      HIS  93   6.567  14.380  -1.098
  727    HD2  HIS  93           HD2      HIS  93   4.192  10.998  -0.768
  728    HE1  HIS  93           HE1      HIS  93   6.615  13.760   1.336
  729    HE2  HIS  93           HE2      HIS  93   5.338  11.588   1.463
  730    H    GLN  94           H        GLN  94   7.076   9.847  -2.717
  731    HA   GLN  94           HA       GLN  94   4.901   7.949  -3.291
  732    HB2  GLN  94           HB2      GLN  94   7.801   7.363  -2.672
  733    HB3  GLN  94           HB1      GLN  94   6.584   6.198  -3.174
  734    HG2  GLN  94           HG2      GLN  94   6.411   7.289  -5.337
  735    HG3  GLN  94           HG1      GLN  94   7.601   8.486  -4.837
  736   HE21  GLN  94          HE21      GLN  94   7.683   6.603  -7.048
  737   HE22  GLN  94          HE22      GLN  94   9.101   5.645  -6.814
  738    H    GLU  95           H        GLU  95   3.699   7.331  -1.616
  739    HA   GLU  95           HA       GLU  95   5.000   7.164   1.022
  740    HB2  GLU  95           HB2      GLU  95   2.127   7.731   0.303
  741    HB3  GLU  95           HB1      GLU  95   2.612   7.233   1.918
  742    HG2  GLU  95           HG2      GLU  95   3.448   9.716   0.453
  743    HG3  GLU  95           HG1      GLU  95   2.420   9.609   1.880
  744    H    VAL  96           H        VAL  96   5.411   5.182   1.656
  745    HA   VAL  96           HA       VAL  96   3.869   2.972   0.492
  746    HB   VAL  96           HB       VAL  96   6.565   2.878   1.860
  747   HG11  VAL  96          HG11      VAL  96   5.383   0.785   2.073
  748   HG12  VAL  96          HG12      VAL  96   6.693   0.607   0.907
  749   HG13  VAL  96          HG13      VAL  96   5.030   0.769   0.346
  750   HG21  VAL  96          HG21      VAL  96   6.751   4.089  -0.220
  751   HG22  VAL  96          HG22      VAL  96   5.870   2.824  -1.077
  752   HG23  VAL  96          HG23      VAL  96   7.467   2.488  -0.407
  753    H    THR  97           H        THR  97   2.283   2.299   1.777
  754    HA   THR  97           HA       THR  97   2.701   2.317   4.682
  755    HB   THR  97           HB       THR  97   0.134   1.810   3.161
  756    HG1  THR  97           HG1      THR  97  -0.147   4.072   4.291
  757   HG21  THR  97          HG21      THR  97   0.107   0.864   5.398
  758   HG22  THR  97          HG22      THR  97  -0.916   2.301   5.349
  759   HG23  THR  97          HG23      THR  97   0.689   2.384   6.076
  760    H    ARG  98           H        ARG  98   3.536   0.512   5.463
  761    HA   ARG  98           HA       ARG  98   3.234  -1.987   4.006
  762    HB2  ARG  98           HB2      ARG  98   4.870  -1.321   6.459
  763    HB3  ARG  98           HB1      ARG  98   4.920  -2.844   5.582
  764    HG2  ARG  98           HG2      ARG  98   5.752  -1.686   3.604
  765    HG3  ARG  98           HG1      ARG  98   5.689  -0.153   4.475
  766    HD2  ARG  98           HD2      ARG  98   7.953  -1.102   4.417
  767    HD3  ARG  98           HD1      ARG  98   7.337  -0.952   6.060
  768    HE   ARG  98           HE       ARG  98   6.802  -3.398   5.858
  769   HH11  ARG  98          HH11      ARG  98   9.405  -1.922   4.032
  770   HH12  ARG  98          HH12      ARG  98  10.308  -3.396   3.889
  771   HH21  ARG  98          HH21      ARG  98   7.995  -5.340   5.678
  772   HH22  ARG  98          HH22      ARG  98   9.501  -5.341   4.818
  773    H    PHE  99           H        PHE  99   1.922  -3.577   4.573
  774    HA   PHE  99           HA       PHE  99   0.840  -3.661   7.294
  775    HB2  PHE  99           HB2      PHE  99  -1.429  -4.095   6.417
  776    HB3  PHE  99           HB1      PHE  99  -0.848  -2.498   5.973
  777    HD1  PHE  99           HD1      PHE  99  -1.943  -5.737   4.776
  778    HD2  PHE  99           HD2      PHE  99  -0.174  -2.034   3.642
  779    HE1  PHE  99           HE1      PHE  99  -2.466  -6.212   2.421
  780    HE2  PHE  99           HE2      PHE  99  -0.694  -2.505   1.283
  781    HZ   PHE  99           HZ       PHE  99  -1.841  -4.596   0.672
  782    H    ASP 100           H        ASP 100  -0.616  -5.810   7.370
  783    HA   ASP 100           HA       ASP 100   0.773  -7.944   5.932
  784    HB2  ASP 100           HB2      ASP 100   0.850  -9.239   8.148
  785    HB3  ASP 100           HB1      ASP 100   2.049  -7.975   7.901
  786    H    PHE 101           H        PHE 101  -0.298 -10.014   6.053
  787    HA   PHE 101           HA       PHE 101  -3.146  -9.869   6.729
  788    HB2  PHE 101           HB2      PHE 101  -3.153  -9.381   4.392
  789    HB3  PHE 101           HB1      PHE 101  -1.969 -10.639   4.053
  790    HD1  PHE 101           HD1      PHE 101  -5.322 -10.412   5.696
  791    HD2  PHE 101           HD2      PHE 101  -2.793 -12.459   2.953
  792    HE1  PHE 101           HE1      PHE 101  -7.142 -11.988   5.199
  793    HE2  PHE 101           HE2      PHE 101  -4.610 -14.041   2.453
  794    HZ   PHE 101           HZ       PHE 101  -6.787 -13.807   3.579
  795    H    THR 102           H        THR 102  -4.130 -11.873   7.134
  796    HA   THR 102           HA       THR 102  -4.308 -13.960   7.984
  797    HB   THR 102           HB       THR 102  -1.573 -14.692   6.973
  798    HG1  THR 102           HG1      THR 102  -2.285 -14.775   4.951
  799   HG21  THR 102          HG21      THR 102  -4.149 -16.242   7.257
  800   HG22  THR 102          HG22      THR 102  -2.758 -16.337   8.338
  801   HG23  THR 102          HG23      THR 102  -2.619 -16.890   6.670
  802    H    THR 103           H        THR 103  -3.154 -11.749   9.393
  803    HA   THR 103           HA       THR 103  -1.341 -13.107  11.260
  804    HB   THR 103           HB       THR 103  -0.955 -10.702  12.085
  805    HG1  THR 103           HG1      THR 103  -1.341  -9.194  10.231
  806   HG21  THR 103          HG21      THR 103   0.701 -11.974  10.796
  807   HG22  THR 103          HG22      THR 103   0.703 -10.274  10.332
  808   HG23  THR 103          HG23      THR 103  -0.076 -11.470   9.296
  809    H    THR 104           H        THR 104  -4.315 -11.236  11.012
  810    HA   THR 104           HA       THR 104  -4.845 -11.348  13.838
  811    HB   THR 104           HB       THR 104  -6.802 -10.655  11.639
  812    HG1  THR 104           HG1      THR 104  -4.657  -9.216  12.755
  813   HG21  THR 104          HG21      THR 104  -7.773 -10.999  13.870
  814   HG22  THR 104          HG22      THR 104  -7.867  -9.307  13.384
  815   HG23  THR 104          HG23      THR 104  -6.641  -9.824  14.541
  816    H    SER 105           H        SER 105  -4.554 -13.694  13.945
  817    HA   SER 105           HA       SER 105  -6.796 -15.261  12.907
  818    HB2  SER 105           HB2      SER 105  -4.345 -16.263  14.368
  819    HB3  SER 105           HB1      SER 105  -5.464 -17.199  13.376
  820    HG   SER 105           HG       SER 105  -4.729 -15.500  11.698
  821    H    THR 106           H        THR 106  -8.481 -14.780  14.266
  822    HA   THR 106           HA       THR 106  -8.171 -14.698  17.121
  823    HB   THR 106           HB       THR 106 -10.812 -14.874  15.684
  824    HG1  THR 106           HG1      THR 106 -10.189 -13.144  14.619
  825   HG21  THR 106          HG21      THR 106 -10.817 -14.869  18.146
  826   HG22  THR 106          HG22      THR 106 -11.544 -13.400  17.493
  827   HG23  THR 106          HG23      THR 106  -9.904 -13.359  18.139
  828    H    SER 107           H        SER 107  -7.164 -17.016  16.692
  829    HA   SER 107           HA       SER 107  -9.151 -19.128  16.610
  830    HB2  SER 107           HB2      SER 107  -6.162 -19.367  17.001
  831    HB3  SER 107           HB1      SER 107  -7.275 -20.629  16.475
  832    HG   SER 107           HG       SER 107  -7.673 -18.784  14.752
  833    H    THR 108           H        THR 108  -9.830 -17.795  18.746
  834    HA   THR 108           HA       THR 108  -8.408 -18.448  21.129
  835    HB   THR 108           HB       THR 108 -11.316 -17.641  20.911
  836    HG1  THR 108           HG1      THR 108  -9.019 -16.238  20.350
  837   HG21  THR 108          HG21      THR 108 -10.607 -18.425  23.121
  838   HG22  THR 108          HG22      THR 108 -10.934 -16.692  23.139
  839   HG23  THR 108          HG23      THR 108  -9.270 -17.275  23.104
  840    HA   PRO 109           HA       PRO 109 -10.020 -22.639  21.196
  841    HB2  PRO 109           HB2      PRO 109  -8.497 -23.555  23.211
  842    HB3  PRO 109           HB1      PRO 109  -7.828 -23.235  21.605
  843    HG2  PRO 109           HG2      PRO 109  -7.703 -21.555  24.080
  844    HG3  PRO 109           HG1      PRO 109  -6.430 -21.899  22.895
  845    HD2  PRO 109           HD2      PRO 109  -7.904 -19.593  22.923
  846    HD3  PRO 109           HD1      PRO 109  -7.156 -20.269  21.462
  847    H    GLY 110           H        GLY 110 -11.849 -20.948  22.215
  848    HA2  GLY 110           HA2      GLY 110 -13.541 -20.755  23.754
  849    HA3  GLY 110           HA1      GLY 110 -13.146 -22.403  24.217
  850    H    SER 111           H        SER 111 -11.797 -19.125  24.606
  851    HA   SER 111           HA       SER 111 -10.625 -19.902  27.138
  852    HB2  SER 111           HB2      SER 111  -9.428 -18.411  25.516
  853    HB3  SER 111           HB1      SER 111 -10.643 -17.173  25.830
  854    HG   SER 111           HG       SER 111  -8.466 -17.445  27.135
  855    H    ARG 112           H        ARG 112 -12.594 -20.374  28.217
  856    HA   ARG 112           HA       ARG 112 -14.477 -18.239  28.693
  857    HB2  ARG 112           HB2      ARG 112 -15.362 -20.475  28.466
  858    HB3  ARG 112           HB1      ARG 112 -14.320 -21.060  29.756
  859    HG2  ARG 112           HG2      ARG 112 -15.506 -19.584  31.339
  860    HG3  ARG 112           HG1      ARG 112 -16.591 -19.107  30.035
  861    HD2  ARG 112           HD2      ARG 112 -17.369 -21.376  29.797
  862    HD3  ARG 112           HD1      ARG 112 -16.202 -21.933  30.996
  863    HE   ARG 112           HE       ARG 112 -17.774 -19.963  32.195
  864   HH11  ARG 112          HH11      ARG 112 -18.141 -23.167  30.851
  865   HH12  ARG 112          HH12      ARG 112 -19.444 -23.606  31.908
  866   HH21  ARG 112          HH21      ARG 112 -19.499 -20.524  33.595
  867   HH22  ARG 112          HH22      ARG 112 -20.225 -22.095  33.471
  868    H    SER 113           H        SER 113 -13.846 -16.676  30.008
  869    HA   SER 113           HA       SER 113 -12.517 -17.406  32.526
  870    HB2  SER 113           HB2      SER 113 -12.824 -14.682  31.239
  871    HB3  SER 113           HB1      SER 113 -11.869 -15.056  32.674
  872    HG   SER 113           HG       SER 113 -11.130 -16.707  30.711
  873    H    HIS 114           H        HIS 114 -15.482 -16.626  31.195
  874    HA   HIS 114           HA       HIS 114 -16.561 -15.101  33.368
  875    HB2  HIS 114           HB2      HIS 114 -17.369 -14.891  31.017
  876    HB3  HIS 114           HB1      HIS 114 -18.023 -16.520  31.131
  877    HD1  HIS 114           HD1      HIS 114 -20.231 -16.818  32.401
  878    HD2  HIS 114           HD2      HIS 114 -18.790 -12.922  32.446
  879    HE1  HIS 114           HE1      HIS 114 -22.113 -15.415  33.293
  880    HE2  HIS 114           HE2      HIS 114 -21.166 -13.089  33.459
  881    H    HIS 115           H        HIS 115 -16.769 -16.060  35.288
  882    HA   HIS 115           HA       HIS 115 -18.656 -18.261  35.428
  883    HB2  HIS 115           HB2      HIS 115 -17.312 -19.535  37.065
  884    HB3  HIS 115           HB1      HIS 115 -16.549 -19.471  35.484
  885    HD1  HIS 115           HD1      HIS 115 -14.268 -18.349  35.318
  886    HD2  HIS 115           HD2      HIS 115 -15.967 -18.102  39.104
  887    HE1  HIS 115           HE1      HIS 115 -12.433 -17.533  36.836
  888    HE2  HIS 115           HE2      HIS 115 -13.505 -17.313  39.100
  889    H    HIS 116           H        HIS 116 -18.553 -15.394  35.975
  890    HA   HIS 116           HA       HIS 116 -19.675 -15.551  38.679
  891    HB2  HIS 116           HB2      HIS 116 -17.451 -14.435  38.800
  892    HB3  HIS 116           HB1      HIS 116 -18.016 -13.235  37.645
  893    HD1  HIS 116           HD1      HIS 116 -18.409 -14.312  41.210
  894    HD2  HIS 116           HD2      HIS 116 -19.692 -11.261  38.698
  895    HE1  HIS 116           HE1      HIS 116 -19.454 -12.594  42.715
  896    HE2  HIS 116           HE2      HIS 116 -20.404 -10.866  41.154
  897    H    HIS 117           H        HIS 117 -21.747 -14.996  38.604
  898    HA   HIS 117           HA       HIS 117 -22.808 -13.754  36.223
  899    HB2  HIS 117           HB2      HIS 117 -24.104 -14.830  38.725
  900    HB3  HIS 117           HB1      HIS 117 -25.018 -14.022  37.457
  901    HD1  HIS 117           HD1      HIS 117 -23.966 -17.285  38.494
  902    HD2  HIS 117           HD2      HIS 117 -24.618 -15.414  34.839
  903    HE1  HIS 117           HE1      HIS 117 -24.243 -19.143  36.825
  904    HE2  HIS 117           HE2      HIS 117 -24.503 -17.986  34.602
  905    H    HIS 118           H        HIS 118 -22.992 -11.649  35.956
  906    HA   HIS 118           HA       HIS 118 -22.680  -9.834  38.167
  907    HB2  HIS 118           HB2      HIS 118 -22.815  -8.055  36.526
  908    HB3  HIS 118           HB1      HIS 118 -21.750  -9.317  35.927
  909    HD1  HIS 118           HD1      HIS 118 -22.381 -10.442  33.741
  910    HD2  HIS 118           HD2      HIS 118 -25.317  -7.862  35.157
  911    HE1  HIS 118           HE1      HIS 118 -24.032 -10.193  31.860
  912    HE2  HIS 118           HE2      HIS 118 -25.874  -8.760  32.797
  913    H    HIS 119           H        HIS 119 -24.235  -8.044  38.528
  914    HA   HIS 119           HA       HIS 119 -26.258  -7.289  39.187
  915    HB2  HIS 119           HB2      HIS 119 -26.816  -7.399  36.776
  916    HB3  HIS 119           HB1      HIS 119 -27.363  -9.058  36.989
  917    HD1  HIS 119           HD1      HIS 119 -28.230  -5.567  38.219
  918    HD2  HIS 119           HD2      HIS 119 -30.003  -9.282  37.621
  919    HE1  HIS 119           HE1      HIS 119 -30.680  -5.228  38.668
  920    HE2  HIS 119           HE2      HIS 119 -31.742  -7.476  38.272
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   5.878   8.821  18.001
    2    H2   GLY   1           HT2      GLY   1   4.229   9.077  17.751
    3    H3   GLY   1           HT3      GLY   1   4.764   8.387  19.197
    4    HA2  GLY   1           HA1      GLY   1   4.184  10.673  19.581
    5    HA3  GLY   1           HA2      GLY   1   5.917  10.443  19.767
    6    H    SER   2           H        SER   2   6.896  12.232  19.048
    7    HA   SER   2           HA       SER   2   5.762  13.881  17.003
    8    HB2  SER   2           HB2      SER   2   8.527  13.992  18.232
    9    HB3  SER   2           HB1      SER   2   7.747  15.269  17.302
   10    HG   SER   2           HG       SER   2   7.382  14.510  19.930
   11    H    GLN   3           H        GLN   3   7.790  11.137  17.003
   12    HA   GLN   3           HA       GLN   3   9.006  11.701  14.444
   13    HB2  GLN   3           HB2      GLN   3   9.949  10.213  16.353
   14    HB3  GLN   3           HB1      GLN   3   8.869   8.980  15.724
   15    HG2  GLN   3           HG2      GLN   3  10.976  10.368  14.084
   16    HG3  GLN   3           HG1      GLN   3  11.221   8.836  14.914
   17   HE21  GLN   3          HE21      GLN   3  10.156   7.000  14.166
   18   HE22  GLN   3          HE22      GLN   3   9.466   6.920  12.583
   19    H    THR   4           H        THR   4   7.009  12.180  13.375
   20    HA   THR   4           HA       THR   4   5.623   9.745  12.475
   21    HB   THR   4           HB       THR   4   3.749  11.361  11.831
   22    HG1  THR   4           HG1      THR   4   4.866  13.312  12.077
   23   HG21  THR   4          HG21      THR   4   4.378  10.977  14.762
   24   HG22  THR   4          HG22      THR   4   3.556   9.818  13.716
   25   HG23  THR   4          HG23      THR   4   2.792  11.362  14.093
   26    H    THR   5           H        THR   5   7.726   9.876  11.138
   27    HA   THR   5           HA       THR   5   8.085  11.776   9.140
   28    HB   THR   5           HB       THR   5   9.793  10.112   9.772
   29    HG1  THR   5           HG1      THR   5  10.590  10.563   7.888
   30   HG21  THR   5          HG21      THR   5   8.074   8.156   8.241
   31   HG22  THR   5          HG22      THR   5   8.389   8.128   9.976
   32   HG23  THR   5          HG23      THR   5   9.704   7.842   8.836
   33    H    ALA   6           H        ALA   6   7.310  12.066   7.137
   34    HA   ALA   6           HA       ALA   6   5.759  12.120   5.491
   35    HB1  ALA   6           HB1      ALA   6   6.931  10.105   4.780
   36    HB2  ALA   6           HB2      ALA   6   5.211  10.005   4.403
   37    HB3  ALA   6           HB3      ALA   6   5.864   9.123   5.782
   38    HA   PRO   7           HA       PRO   7   2.231  11.583   8.478
   39    HB2  PRO   7           HB2      PRO   7   1.776  14.430   8.056
   40    HB3  PRO   7           HB1      PRO   7   2.081  13.567   9.564
   41    HG2  PRO   7           HG2      PRO   7   3.868  15.281   8.461
   42    HG3  PRO   7           HG1      PRO   7   4.348  13.886   9.444
   43    HD2  PRO   7           HD2      PRO   7   4.334  14.193   6.463
   44    HD3  PRO   7           HD1      PRO   7   5.540  13.417   7.512
   45    H    ASP   8           H        ASP   8   2.759  12.711   5.329
   46    HA   ASP   8           HA       ASP   8  -0.078  12.978   4.690
   47    HB2  ASP   8           HB2      ASP   8   1.695  14.622   3.896
   48    HB3  ASP   8           HB1      ASP   8   2.288  13.344   2.846
   49    H    ALA   9           H        ALA   9   0.813  10.443   5.465
   50    HA   ALA   9           HA       ALA   9   0.849   8.896   2.968
   51    HB1  ALA   9           HB1      ALA   9   1.676   8.065   5.743
   52    HB2  ALA   9           HB2      ALA   9   2.769   8.541   4.445
   53    HB3  ALA   9           HB3      ALA   9   1.794   7.080   4.283
   54    HA   PRO  10           HA       PRO  10  -3.256   7.411   3.789
   55    HB2  PRO  10           HB2      PRO  10  -2.337   4.812   2.721
   56    HB3  PRO  10           HB1      PRO  10  -3.632   5.867   2.149
   57    HG2  PRO  10           HG2      PRO  10  -1.337   5.630   0.797
   58    HG3  PRO  10           HG1      PRO  10  -2.193   7.181   0.904
   59    HD2  PRO  10           HD2      PRO  10   0.225   6.253   2.389
   60    HD3  PRO  10           HD1      PRO  10  -0.128   7.833   1.714
   61    HA   PRO  11           HA       PRO  11  -2.797   5.393   7.823
   62    HB2  PRO  11           HB2      PRO  11  -5.707   5.098   7.192
   63    HB3  PRO  11           HB1      PRO  11  -4.931   5.596   8.701
   64    HG2  PRO  11           HG2      PRO  11  -6.041   7.409   7.122
   65    HG3  PRO  11           HG1      PRO  11  -4.492   7.743   7.918
   66    HD2  PRO  11           HD2      PRO  11  -5.052   7.055   5.072
   67    HD3  PRO  11           HD1      PRO  11  -3.813   8.129   5.754
   68    H    ASP  12           H        ASP  12  -2.849   3.305   8.528
   69    HA   ASP  12           HA       ASP  12  -2.136   1.317   6.817
   70    HB2  ASP  12           HB2      ASP  12  -3.441   1.036   9.524
   71    HB3  ASP  12           HB1      ASP  12  -2.612  -0.268   8.678
   72    HA   PRO  13           HA       PRO  13  -5.886   0.306   4.616
   73    HB2  PRO  13           HB2      PRO  13  -4.200  -2.029   3.876
   74    HB3  PRO  13           HB1      PRO  13  -5.092  -0.910   2.839
   75    HG2  PRO  13           HG2      PRO  13  -2.447  -0.749   3.033
   76    HG3  PRO  13           HG1      PRO  13  -3.440   0.719   2.956
   77    HD2  PRO  13           HD2      PRO  13  -2.121  -0.557   5.316
   78    HD3  PRO  13           HD1      PRO  13  -2.293   1.163   4.909
   79    H    THR  14           H        THR  14  -7.544  -1.123   4.845
   80    HA   THR  14           HA       THR  14  -7.254  -3.121   6.991
   81    HB   THR  14           HB       THR  14  -9.829  -1.886   6.009
   82    HG1  THR  14           HG1      THR  14  -8.045  -1.057   8.070
   83   HG21  THR  14          HG21      THR  14  -9.134  -3.328   8.571
   84   HG22  THR  14          HG22      THR  14 -10.039  -4.012   7.220
   85   HG23  THR  14          HG23      THR  14 -10.716  -2.672   8.145
   86    H    VAL  15           H        VAL  15  -7.785  -5.216   6.586
   87    HA   VAL  15           HA       VAL  15  -8.625  -5.863   3.851
   88    HB   VAL  15           HB       VAL  15  -7.173  -7.544   5.902
   89   HG11  VAL  15          HG11      VAL  15  -7.024  -9.250   4.129
   90   HG12  VAL  15          HG12      VAL  15  -8.104  -8.275   3.133
   91   HG13  VAL  15          HG13      VAL  15  -8.683  -8.959   4.651
   92   HG21  VAL  15          HG21      VAL  15  -5.352  -7.501   4.235
   93   HG22  VAL  15          HG22      VAL  15  -5.747  -5.897   4.849
   94   HG23  VAL  15          HG23      VAL  15  -6.307  -6.393   3.251
   95    H    ASP  16           H        ASP  16 -10.698  -6.335   3.631
   96    HA   ASP  16           HA       ASP  16 -12.069  -7.743   5.832
   97    HB2  ASP  16           HB2      ASP  16 -13.151  -5.631   3.962
   98    HB3  ASP  16           HB1      ASP  16 -14.186  -6.667   4.937
   99    H    GLN  17           H        GLN  17 -13.863  -9.080   5.175
  100    HA   GLN  17           HA       GLN  17 -14.796 -10.784   4.017
  101    HB2  GLN  17           HB2      GLN  17 -14.399  -8.937   1.671
  102    HB3  GLN  17           HB1      GLN  17 -15.518 -10.270   1.747
  103    HG2  GLN  17           HG2      GLN  17 -16.700  -9.145   3.590
  104    HG3  GLN  17           HG1      GLN  17 -15.605  -7.775   3.415
  105   HE21  GLN  17          HE21      GLN  17 -17.201  -6.339   2.887
  106   HE22  GLN  17          HE22      GLN  17 -18.033  -6.374   1.372
  107    H    VAL  18           H        VAL  18 -12.942 -12.136   4.416
  108    HA   VAL  18           HA       VAL  18 -11.137 -12.519   2.176
  109    HB   VAL  18           HB       VAL  18 -10.143 -12.629   4.378
  110   HG11  VAL  18          HG11      VAL  18 -12.025 -14.916   4.937
  111   HG12  VAL  18          HG12      VAL  18 -12.073 -13.317   5.679
  112   HG13  VAL  18          HG13      VAL  18 -10.707 -14.390   5.985
  113   HG21  VAL  18          HG21      VAL  18  -9.044 -14.826   4.251
  114   HG22  VAL  18          HG22      VAL  18  -9.147 -14.033   2.679
  115   HG23  VAL  18          HG23      VAL  18 -10.254 -15.346   3.078
  116    H    ASP  19           H        ASP  19 -11.568 -13.832   0.570
  117    HA   ASP  19           HA       ASP  19 -13.721 -15.781   0.757
  118    HB2  ASP  19           HB2      ASP  19 -11.892 -15.087  -1.556
  119    HB3  ASP  19           HB1      ASP  19 -13.260 -16.184  -1.643
  120    H    ASP  20           H        ASP  20 -12.669 -17.686  -1.055
  121    HA   ASP  20           HA       ASP  20 -11.132 -19.308   0.700
  122    HB2  ASP  20           HB2      ASP  20 -11.102 -20.938  -1.111
  123    HB3  ASP  20           HB1      ASP  20 -12.717 -20.259  -0.943
  124    H    THR  21           H        THR  21 -10.364 -17.226  -2.031
  125    HA   THR  21           HA       THR  21  -7.542 -17.402  -1.330
  126    HB   THR  21           HB       THR  21  -7.056 -17.524  -3.891
  127    HG1  THR  21           HG1      THR  21  -9.480 -19.022  -3.812
  128   HG21  THR  21          HG21      THR  21  -7.901 -19.977  -2.350
  129   HG22  THR  21          HG22      THR  21  -6.314 -19.210  -2.287
  130   HG23  THR  21          HG23      THR  21  -6.872 -19.965  -3.781
  131    H    SER  22           H        SER  22  -9.631 -15.285  -1.206
  132    HA   SER  22           HA       SER  22  -8.053 -13.228  -2.483
  133    HB2  SER  22           HB2      SER  22 -10.189 -12.206  -3.491
  134    HB3  SER  22           HB1      SER  22  -9.463 -13.578  -4.328
  135    HG   SER  22           HG       SER  22 -11.797 -13.487  -2.731
  136    H    ILE  23           H        ILE  23  -8.597 -11.075  -1.790
  137    HA   ILE  23           HA       ILE  23 -10.297 -10.909   0.609
  138    HB   ILE  23           HB       ILE  23  -8.657  -9.556   1.778
  139   HG12  ILE  23          HG12      ILE  23  -6.686 -10.153  -0.423
  140   HG13  ILE  23          HG11      ILE  23  -7.657  -8.687  -0.408
  141   HG21  ILE  23          HG21      ILE  23  -7.427 -12.133   0.817
  142   HG22  ILE  23          HG22      ILE  23  -8.544 -11.951   2.169
  143   HG23  ILE  23          HG23      ILE  23  -6.936 -11.234   2.252
  144   HD11  ILE  23          HD11      ILE  23  -5.534  -8.147   0.475
  145   HD12  ILE  23          HD12      ILE  23  -5.565  -9.528   1.574
  146   HD13  ILE  23          HD13      ILE  23  -6.663  -8.172   1.829
  147    H    VAL  24           H        VAL  24 -10.892  -8.664   1.132
  148    HA   VAL  24           HA       VAL  24 -10.574  -6.835  -1.154
  149    HB   VAL  24           HB       VAL  24 -12.575  -6.624   1.106
  150   HG11  VAL  24          HG11      VAL  24 -11.971  -4.478   0.121
  151   HG12  VAL  24          HG12      VAL  24 -13.623  -4.920  -0.308
  152   HG13  VAL  24          HG13      VAL  24 -12.326  -5.105  -1.488
  153   HG21  VAL  24          HG21      VAL  24 -14.257  -7.295  -0.549
  154   HG22  VAL  24          HG22      VAL  24 -13.063  -8.566  -0.284
  155   HG23  VAL  24          HG23      VAL  24 -12.978  -7.565  -1.733
  156    H    VAL  25           H        VAL  25  -8.805  -5.653  -0.831
  157    HA   VAL  25           HA       VAL  25  -8.215  -4.684   1.875
  158    HB   VAL  25           HB       VAL  25  -6.330  -5.831   0.963
  159   HG11  VAL  25          HG11      VAL  25  -6.657  -4.138  -1.499
  160   HG12  VAL  25          HG12      VAL  25  -6.882  -5.884  -1.358
  161   HG13  VAL  25          HG13      VAL  25  -5.275  -5.186  -1.172
  162   HG21  VAL  25          HG21      VAL  25  -5.858  -2.875   0.662
  163   HG22  VAL  25          HG22      VAL  25  -4.609  -4.108   0.852
  164   HG23  VAL  25          HG23      VAL  25  -5.756  -3.803   2.160
  165    H    ARG  26           H        ARG  26  -8.698  -2.675   2.374
  166    HA   ARG  26           HA       ARG  26  -8.956  -0.694   0.201
  167    HB2  ARG  26           HB2      ARG  26 -10.560  -0.863   2.756
  168    HB3  ARG  26           HB1      ARG  26 -10.679   0.426   1.572
  169    HG2  ARG  26           HG2      ARG  26 -11.514  -1.132  -0.086
  170    HG3  ARG  26           HG1      ARG  26 -11.328  -2.469   1.055
  171    HD2  ARG  26           HD2      ARG  26 -13.644  -1.719   0.967
  172    HD3  ARG  26           HD1      ARG  26 -12.944  -1.414   2.555
  173    HE   ARG  26           HE       ARG  26 -12.730   0.839   0.807
  174   HH11  ARG  26          HH11      ARG  26 -14.879  -0.838   3.006
  175   HH12  ARG  26          HH12      ARG  26 -15.843   0.568   3.332
  176   HH21  ARG  26          HH21      ARG  26 -13.981   2.688   1.248
  177   HH22  ARG  26          HH22      ARG  26 -15.331   2.573   2.335
  178    H    TRP  27           H        TRP  27  -8.467   1.504   0.809
  179    HA   TRP  27           HA       TRP  27  -6.973   1.897   3.266
  180    HB2  TRP  27           HB2      TRP  27  -5.009   2.821   1.997
  181    HB3  TRP  27           HB1      TRP  27  -5.215   1.079   1.843
  182    HD1  TRP  27           HD1      TRP  27  -5.444   4.313  -0.177
  183    HE1  TRP  27           HE1      TRP  27  -5.540   3.722  -2.675
  184    HE3  TRP  27           HE3      TRP  27  -5.904  -0.764   0.198
  185    HZ2  TRP  27           HZ2      TRP  27  -5.768   1.417  -4.280
  186    HZ3  TRP  27           HZ3      TRP  27  -6.050  -2.089  -1.870
  187    HH2  TRP  27           HH2      TRP  27  -5.983  -1.018  -4.062
  188    H    SER  28           H        SER  28  -6.913   4.016   3.917
  189    HA   SER  28           HA       SER  28  -8.684   5.801   2.431
  190    HB2  SER  28           HB2      SER  28  -7.576   6.113   5.232
  191    HB3  SER  28           HB1      SER  28  -8.896   7.033   4.505
  192    HG   SER  28           HG       SER  28  -8.878   4.243   5.057
  193    H    ARG  29           H        ARG  29  -7.985   7.611   1.458
  194    HA   ARG  29           HA       ARG  29  -5.147   8.197   1.515
  195    HB2  ARG  29           HB2      ARG  29  -5.463   9.518  -0.422
  196    HB3  ARG  29           HB1      ARG  29  -6.477   8.106  -0.642
  197    HG2  ARG  29           HG2      ARG  29  -7.387  10.857   0.176
  198    HG3  ARG  29           HG1      ARG  29  -7.631  10.085  -1.389
  199    HD2  ARG  29           HD2      ARG  29  -9.001   8.374  -0.342
  200    HD3  ARG  29           HD1      ARG  29  -8.724   9.108   1.235
  201    HE   ARG  29           HE       ARG  29 -10.359  10.218  -0.937
  202   HH11  ARG  29          HH11      ARG  29  -9.199  10.409   2.367
  203   HH12  ARG  29          HH12      ARG  29 -10.476  11.465   2.885
  204   HH21  ARG  29          HH21      ARG  29 -12.030  11.620  -0.250
  205   HH22  ARG  29          HH22      ARG  29 -12.077  12.155   1.401
  206    HA   PRO  30           HA       PRO  30  -5.552  11.553   4.355
  207    HB2  PRO  30           HB2      PRO  30  -3.347  12.997   3.725
  208    HB3  PRO  30           HB1      PRO  30  -3.265  11.453   4.580
  209    HG2  PRO  30           HG2      PRO  30  -2.803  12.045   1.684
  210    HG3  PRO  30           HG1      PRO  30  -1.897  10.971   2.768
  211    HD2  PRO  30           HD2      PRO  30  -3.751  10.073   0.989
  212    HD3  PRO  30           HD1      PRO  30  -3.398   9.253   2.514
  213    H1   MET  31           HT1      MET  31 -12.578  21.673  -7.761
  214    H2   MET  31           HT2      MET  31 -13.760  21.541  -6.566
  215    H3   MET  31           HT3      MET  31 -12.972  20.156  -7.124
  216    HA   MET  31           HA       MET  31 -12.146  20.815  -4.966
  217    HB2  MET  31           HB2      MET  31 -10.202  21.223  -7.245
  218    HB3  MET  31           HB1      MET  31  -9.729  20.993  -5.569
  219    HG2  MET  31           HG2      MET  31 -11.231  19.018  -7.268
  220    HG3  MET  31           HG1      MET  31  -9.524  18.934  -6.838
  221    HE1  MET  31           HE1      MET  31  -9.779  16.476  -5.891
  222    HE2  MET  31           HE2      MET  31 -11.473  16.501  -6.381
  223    HE3  MET  31           HE3      MET  31 -11.034  15.999  -4.749
  224    H    ARG  32           H        ARG  32 -10.717  22.358  -3.815
  225    HA   ARG  32           HA       ARG  32 -11.145  25.121  -4.730
  226    HB2  ARG  32           HB2      ARG  32 -12.785  24.506  -2.978
  227    HB3  ARG  32           HB1      ARG  32 -11.457  24.107  -1.899
  228    HG2  ARG  32           HG2      ARG  32 -10.713  26.429  -1.939
  229    HG3  ARG  32           HG1      ARG  32 -12.032  26.835  -3.040
  230    HD2  ARG  32           HD2      ARG  32 -12.291  25.795  -0.224
  231    HD3  ARG  32           HD1      ARG  32 -12.635  27.433  -0.775
  232    HE   ARG  32           HE       ARG  32 -14.451  26.444  -2.128
  233   HH11  ARG  32          HH11      ARG  32 -13.235  24.691   0.654
  234   HH12  ARG  32          HH12      ARG  32 -14.703  23.800   0.891
  235   HH21  ARG  32          HH21      ARG  32 -16.373  25.263  -1.832
  236   HH22  ARG  32          HH22      ARG  32 -16.488  24.121  -0.531
  237    H    GLY  33           H        GLY  33  -8.955  24.987  -5.487
  238    HA2  GLY  33           HA2      GLY  33  -7.077  25.805  -3.474
  239    HA3  GLY  33           HA1      GLY  33  -6.707  24.230  -4.162
  240    H    SER  34           H        SER  34  -6.923  27.645  -4.751
  241    HA   SER  34           HA       SER  34  -5.986  27.420  -7.470
  242    HB2  SER  34           HB2      SER  34  -5.819  29.949  -7.263
  243    HB3  SER  34           HB1      SER  34  -7.429  29.269  -7.032
  244    HG   SER  34           HG       SER  34  -7.409  29.877  -5.004
  245    H    ASN  35           H        ASN  35  -4.657  27.769  -4.302
  246    HA   ASN  35           HA       ASN  35  -2.031  28.556  -5.256
  247    HB2  ASN  35           HB2      ASN  35  -2.941  27.743  -2.484
  248    HB3  ASN  35           HB1      ASN  35  -1.364  28.405  -2.886
  249   HD21  ASN  35          HD21      ASN  35  -3.368  29.404  -1.055
  250   HD22  ASN  35          HD22      ASN  35  -3.760  31.001  -1.590
  251    H    ALA  36           H        ALA  36  -3.685  25.708  -4.037
  252    HA   ALA  36           HA       ALA  36  -1.360  24.089  -4.833
  253    HB1  ALA  36           HB1      ALA  36  -1.778  22.592  -2.989
  254    HB2  ALA  36           HB2      ALA  36  -3.184  23.534  -2.500
  255    HB3  ALA  36           HB3      ALA  36  -1.569  24.232  -2.380
  256    HA   PRO  37           HA       PRO  37  -4.700  22.385  -7.380
  257    HB2  PRO  37           HB2      PRO  37  -2.527  21.097  -8.840
  258    HB3  PRO  37           HB1      PRO  37  -3.678  22.310  -9.402
  259    HG2  PRO  37           HG2      PRO  37  -1.048  22.846  -9.045
  260    HG3  PRO  37           HG1      PRO  37  -2.316  24.065  -8.822
  261    HD2  PRO  37           HD2      PRO  37  -0.842  22.463  -6.762
  262    HD3  PRO  37           HD1      PRO  37  -1.293  24.182  -6.745
  263    H    GLN  38           H        GLN  38  -4.938  21.107  -5.263
  264    HA   GLN  38           HA       GLN  38  -5.312  19.132  -4.218
  265    HB2  GLN  38           HB2      GLN  38  -4.697  17.867  -6.893
  266    HB3  GLN  38           HB1      GLN  38  -5.537  17.110  -5.550
  267    HG2  GLN  38           HG2      GLN  38  -7.356  18.737  -5.784
  268    HG3  GLN  38           HG1      GLN  38  -6.519  19.453  -7.162
  269   HE21  GLN  38          HE21      GLN  38  -8.173  18.981  -8.598
  270   HE22  GLN  38          HE22      GLN  38  -8.511  17.369  -9.126
  271    HA   PRO  39           HA       PRO  39  -0.766  18.798  -3.466
  272    HB2  PRO  39           HB2      PRO  39  -1.838  18.289  -0.752
  273    HB3  PRO  39           HB1      PRO  39  -0.559  19.390  -1.270
  274    HG2  PRO  39           HG2      PRO  39  -2.966  20.298  -0.552
  275    HG3  PRO  39           HG1      PRO  39  -2.043  21.051  -1.862
  276    HD2  PRO  39           HD2      PRO  39  -4.397  19.223  -2.008
  277    HD3  PRO  39           HD1      PRO  39  -3.974  20.604  -3.039
  278    H    SER  40           H        SER  40  -2.969  16.813  -1.474
  279    HA   SER  40           HA       SER  40  -1.199  14.548  -1.872
  280    HB2  SER  40           HB2      SER  40  -2.698  13.460  -0.157
  281    HB3  SER  40           HB1      SER  40  -1.871  14.916   0.397
  282    HG   SER  40           HG       SER  40  -4.284  14.600   0.771
  283    H    HIS  41           H        HIS  41  -2.258  15.056  -4.242
  284    HA   HIS  41           HA       HIS  41  -4.561  13.283  -4.580
  285    HB2  HIS  41           HB2      HIS  41  -4.534  15.481  -5.762
  286    HB3  HIS  41           HB1      HIS  41  -3.132  14.936  -6.674
  287    HD1  HIS  41           HD1      HIS  41  -3.894  14.403  -8.976
  288    HD2  HIS  41           HD2      HIS  41  -6.634  13.157  -6.109
  289    HE1  HIS  41           HE1      HIS  41  -5.726  13.248 -10.248
  290    HE2  HIS  41           HE2      HIS  41  -7.458  12.683  -8.514
  291    H    ILE  42           H        ILE  42  -4.070  11.213  -4.678
  292    HA   ILE  42           HA       ILE  42  -1.491  10.321  -5.619
  293    HB   ILE  42           HB       ILE  42  -3.895   8.725  -4.701
  294   HG12  ILE  42          HG12      ILE  42  -2.306   8.231  -2.741
  295   HG13  ILE  42          HG11      ILE  42  -1.365   9.603  -3.304
  296   HG21  ILE  42          HG21      ILE  42  -2.540   7.435  -6.239
  297   HG22  ILE  42          HG22      ILE  42  -2.346   6.822  -4.596
  298   HG23  ILE  42          HG23      ILE  42  -1.087   7.823  -5.318
  299   HD11  ILE  42          HD11      ILE  42  -4.237   9.679  -2.410
  300   HD12  ILE  42          HD12      ILE  42  -3.287  11.061  -2.956
  301   HD13  ILE  42          HD13      ILE  42  -2.840  10.213  -1.475
  302    H    SER  43           H        SER  43  -1.037   9.698  -7.614
  303    HA   SER  43           HA       SER  43  -3.070   9.789  -9.648
  304    HB2  SER  43           HB2      SER  43  -0.136   9.068  -9.856
  305    HB3  SER  43           HB1      SER  43  -1.209   9.469 -11.200
  306    HG   SER  43           HG       SER  43  -1.533  11.512  -9.876
  307    H    LYS  44           H        LYS  44  -1.062   7.330  -8.103
  308    HA   LYS  44           HA       LYS  44  -2.966   5.299  -8.830
  309    HB2  LYS  44           HB2      LYS  44  -1.265   3.818  -9.885
  310    HB3  LYS  44           HB1      LYS  44  -1.644   5.243 -10.839
  311    HG2  LYS  44           HG2      LYS  44   0.416   6.315 -10.016
  312    HG3  LYS  44           HG1      LYS  44   0.802   4.835  -9.127
  313    HD2  LYS  44           HD2      LYS  44   0.948   3.582 -11.174
  314    HD3  LYS  44           HD1      LYS  44   0.384   4.965 -12.112
  315    HE2  LYS  44           HE2      LYS  44   2.931   4.910 -10.504
  316    HE3  LYS  44           HE1      LYS  44   2.839   4.598 -12.236
  317    HZ1  LYS  44           HZ1      LYS  44   1.935   6.836 -12.532
  318    HZ2  LYS  44           HZ2      LYS  44   3.467   6.875 -11.822
  319    HZ3  LYS  44           HZ3      LYS  44   2.094   7.131 -10.876
  320    H    TYR  45           H        TYR  45  -2.990   3.638  -7.426
  321    HA   TYR  45           HA       TYR  45  -1.016   3.665  -5.248
  322    HB2  TYR  45           HB2      TYR  45  -3.666   2.214  -5.443
  323    HB3  TYR  45           HB1      TYR  45  -2.616   2.249  -4.037
  324    HD1  TYR  45           HD1      TYR  45  -5.343   3.808  -5.721
  325    HD2  TYR  45           HD2      TYR  45  -2.224   4.529  -2.919
  326    HE1  TYR  45           HE1      TYR  45  -6.577   5.751  -4.856
  327    HE2  TYR  45           HE2      TYR  45  -3.448   6.477  -2.048
  328    HH   TYR  45           HH       TYR  45  -5.247   8.111  -3.017
  329    H    ILE  46           H        ILE  46   0.463   2.068  -5.128
  330    HA   ILE  46           HA       ILE  46   0.049  -0.268  -6.868
  331    HB   ILE  46           HB       ILE  46   2.614   0.952  -5.838
  332   HG12  ILE  46          HG12      ILE  46   3.160   0.861  -8.325
  333   HG13  ILE  46          HG11      ILE  46   1.468   0.465  -8.591
  334   HG21  ILE  46          HG21      ILE  46   2.289  -1.681  -7.271
  335   HG22  ILE  46          HG22      ILE  46   2.764  -1.470  -5.587
  336   HG23  ILE  46          HG23      ILE  46   3.820  -0.897  -6.878
  337   HD11  ILE  46          HD11      ILE  46   1.841   2.810  -8.977
  338   HD12  ILE  46          HD12      ILE  46   2.551   2.990  -7.373
  339   HD13  ILE  46          HD13      ILE  46   0.840   2.601  -7.540
  340    H    LEU  47           H        LEU  47  -0.589  -2.011  -5.896
  341    HA   LEU  47           HA       LEU  47  -0.136  -2.367  -3.023
  342    HB2  LEU  47           HB2      LEU  47  -2.400  -2.664  -4.366
  343    HB3  LEU  47           HB1      LEU  47  -1.732  -4.229  -4.759
  344    HG   LEU  47           HG       LEU  47  -3.256  -4.495  -2.944
  345   HD11  LEU  47          HD11      LEU  47  -0.416  -4.670  -1.979
  346   HD12  LEU  47          HD12      LEU  47  -1.384  -5.935  -2.737
  347   HD13  LEU  47          HD13      LEU  47  -1.802  -5.352  -1.129
  348   HD21  LEU  47          HD21      LEU  47  -3.256  -2.178  -2.155
  349   HD22  LEU  47          HD22      LEU  47  -1.672  -2.435  -1.421
  350   HD23  LEU  47          HD23      LEU  47  -3.073  -3.334  -0.835
  351    H    ARG  48           H        ARG  48   1.696  -3.400  -2.530
  352    HA   ARG  48           HA       ARG  48   2.551  -5.602  -4.291
  353    HB2  ARG  48           HB2      ARG  48   4.130  -3.664  -2.632
  354    HB3  ARG  48           HB1      ARG  48   4.807  -5.228  -3.060
  355    HG2  ARG  48           HG2      ARG  48   4.496  -4.702  -5.417
  356    HG3  ARG  48           HG1      ARG  48   3.831  -3.129  -4.978
  357    HD2  ARG  48           HD2      ARG  48   5.977  -2.616  -3.830
  358    HD3  ARG  48           HD1      ARG  48   6.621  -4.136  -4.451
  359    HE   ARG  48           HE       ARG  48   5.721  -2.880  -6.670
  360   HH11  ARG  48          HH11      ARG  48   7.876  -1.931  -4.087
  361   HH12  ARG  48          HH12      ARG  48   8.814  -0.874  -5.090
  362   HH21  ARG  48          HH21      ARG  48   6.958  -1.513  -7.998
  363   HH22  ARG  48          HH22      ARG  48   8.298  -0.640  -7.319
  364    H    TRP  49           H        TRP  49   2.209  -7.553  -3.503
  365    HA   TRP  49           HA       TRP  49   2.467  -7.908  -0.599
  366    HB2  TRP  49           HB2      TRP  49   0.683  -9.535  -0.589
  367    HB3  TRP  49           HB1      TRP  49   0.088  -8.030  -1.278
  368    HD1  TRP  49           HD1      TRP  49   0.471 -11.686  -2.023
  369    HE1  TRP  49           HE1      TRP  49  -0.490 -12.200  -4.352
  370    HE3  TRP  49           HE3      TRP  49  -0.126  -6.908  -3.727
  371    HZ2  TRP  49           HZ2      TRP  49  -1.370 -10.773  -6.618
  372    HZ3  TRP  49           HZ3      TRP  49  -1.042  -6.564  -5.981
  373    HH2  TRP  49           HH2      TRP  49  -1.653  -8.453  -7.394
  374    H    ARG  50           H        ARG  50   3.405  -9.762   0.127
  375    HA   ARG  50           HA       ARG  50   4.409 -11.720  -1.778
  376    HB2  ARG  50           HB2      ARG  50   6.097  -9.868  -1.691
  377    HB3  ARG  50           HB1      ARG  50   6.273 -10.168   0.032
  378    HG2  ARG  50           HG2      ARG  50   6.956 -12.516  -0.554
  379    HG3  ARG  50           HG1      ARG  50   7.008 -11.994  -2.241
  380    HD2  ARG  50           HD2      ARG  50   9.223 -11.864  -1.294
  381    HD3  ARG  50           HD1      ARG  50   8.624 -10.234  -1.608
  382    HE   ARG  50           HE       ARG  50   7.967 -10.852   1.018
  383   HH11  ARG  50          HH11      ARG  50  10.877 -10.387  -0.888
  384   HH12  ARG  50          HH12      ARG  50  11.829  -9.888   0.475
  385   HH21  ARG  50          HH21      ARG  50   9.195 -10.172   2.786
  386   HH22  ARG  50          HH22      ARG  50  10.875  -9.767   2.564
  387    HA   PRO  51           HA       PRO  51   3.376 -14.226   1.816
  388    HB2  PRO  51           HB2      PRO  51   4.999 -16.246   0.390
  389    HB3  PRO  51           HB1      PRO  51   3.329 -16.343   0.951
  390    HG2  PRO  51           HG2      PRO  51   3.927 -16.099  -1.652
  391    HG3  PRO  51           HG1      PRO  51   2.492 -15.336  -0.945
  392    HD2  PRO  51           HD2      PRO  51   5.101 -14.116  -1.729
  393    HD3  PRO  51           HD1      PRO  51   3.458 -13.453  -1.854
  394    H    LYS  52           H        LYS  52   4.454 -14.737   3.656
  395    HA   LYS  52           HA       LYS  52   6.993 -13.685   4.155
  396    HB2  LYS  52           HB2      LYS  52   5.157 -15.531   5.614
  397    HB3  LYS  52           HB1      LYS  52   6.796 -15.332   6.212
  398    HG2  LYS  52           HG2      LYS  52   4.855 -13.077   5.763
  399    HG3  LYS  52           HG1      LYS  52   5.115 -13.881   7.310
  400    HD2  LYS  52           HD2      LYS  52   7.540 -13.245   7.117
  401    HD3  LYS  52           HD1      LYS  52   7.094 -12.256   5.724
  402    HE2  LYS  52           HE2      LYS  52   5.465 -11.059   7.188
  403    HE3  LYS  52           HE1      LYS  52   6.113 -11.957   8.558
  404    HZ1  LYS  52           HZ1      LYS  52   7.128  -9.790   8.403
  405    HZ2  LYS  52           HZ2      LYS  52   7.635 -10.092   6.815
  406    HZ3  LYS  52           HZ3      LYS  52   8.288 -10.983   8.101
  407    H    ASN  53           H        ASN  53   6.037 -16.850   3.048
  408    HA   ASN  53           HA       ASN  53   8.600 -18.054   3.574
  409    HB2  ASN  53           HB2      ASN  53   7.703 -20.021   2.441
  410    HB3  ASN  53           HB1      ASN  53   6.533 -19.403   3.600
  411   HD21  ASN  53          HD21      ASN  53   7.277 -19.859   0.243
  412   HD22  ASN  53          HD22      ASN  53   5.700 -19.496  -0.366
  413    H    SER  54           H        SER  54   7.441 -15.977   1.224
  414    HA   SER  54           HA       SER  54   9.303 -16.986  -0.812
  415    HB2  SER  54           HB2      SER  54   6.997 -15.046  -1.114
  416    HB3  SER  54           HB1      SER  54   8.001 -15.672  -2.421
  417    HG   SER  54           HG       SER  54   7.261 -17.822  -1.546
  418    H    VAL  55           H        VAL  55  11.062 -15.816  -1.337
  419    HA   VAL  55           HA       VAL  55  11.173 -13.026  -0.440
  420    HB   VAL  55           HB       VAL  55  12.629 -14.662   0.833
  421   HG11  VAL  55          HG11      VAL  55  13.341 -16.110  -0.936
  422   HG12  VAL  55          HG12      VAL  55  14.757 -15.307  -0.261
  423   HG13  VAL  55          HG13      VAL  55  14.087 -14.765  -1.798
  424   HG21  VAL  55          HG21      VAL  55  14.594 -13.173   0.796
  425   HG22  VAL  55          HG22      VAL  55  13.057 -12.317   0.913
  426   HG23  VAL  55          HG23      VAL  55  13.915 -12.379  -0.624
  427    H    GLY  56           H        GLY  56  10.641 -14.720  -3.040
  428    HA2  GLY  56           HA2      GLY  56  12.621 -14.043  -4.918
  429    HA3  GLY  56           HA1      GLY  56  10.969 -14.473  -5.295
  430    H    ARG  57           H        ARG  57   9.363 -12.761  -5.096
  431    HA   ARG  57           HA       ARG  57  10.366 -10.042  -5.211
  432    HB2  ARG  57           HB2      ARG  57   9.584  -9.514  -7.372
  433    HB3  ARG  57           HB1      ARG  57  10.544 -10.975  -7.536
  434    HG2  ARG  57           HG2      ARG  57   8.577 -12.320  -7.735
  435    HG3  ARG  57           HG1      ARG  57   7.541 -10.937  -7.362
  436    HD2  ARG  57           HD2      ARG  57   8.382  -9.802  -9.368
  437    HD3  ARG  57           HD1      ARG  57   9.346 -11.224  -9.752
  438    HE   ARG  57           HE       ARG  57   6.592 -11.880  -9.443
  439   HH11  ARG  57          HH11      ARG  57   8.893 -10.489 -11.682
  440   HH12  ARG  57          HH12      ARG  57   7.975 -10.916 -13.091
  441   HH21  ARG  57          HH21      ARG  57   5.376 -12.438 -11.291
  442   HH22  ARG  57          HH22      ARG  57   5.970 -12.031 -12.869
  443    H    TRP  58           H        TRP  58   8.661  -8.445  -5.271
  444    HA   TRP  58           HA       TRP  58   6.297  -9.326  -3.822
  445    HB2  TRP  58           HB2      TRP  58   7.293  -6.562  -4.565
  446    HB3  TRP  58           HB1      TRP  58   5.848  -6.880  -3.615
  447    HD1  TRP  58           HD1      TRP  58   9.678  -7.424  -3.376
  448    HE1  TRP  58           HE1      TRP  58  10.333  -7.347  -0.888
  449    HE3  TRP  58           HE3      TRP  58   5.016  -6.992  -1.325
  450    HZ2  TRP  58           HZ2      TRP  58   9.043  -7.128   1.612
  451    HZ3  TRP  58           HZ3      TRP  58   4.813  -6.853   1.122
  452    HH2  TRP  58           HH2      TRP  58   6.787  -6.920   2.559
  453    H    LYS  59           H        LYS  59   4.335  -9.538  -4.732
  454    HA   LYS  59           HA       LYS  59   4.012  -9.158  -7.558
  455    HB2  LYS  59           HB2      LYS  59   2.058  -9.893  -5.374
  456    HB3  LYS  59           HB1      LYS  59   1.635  -9.818  -7.079
  457    HG2  LYS  59           HG2      LYS  59   3.225 -11.577  -7.579
  458    HG3  LYS  59           HG1      LYS  59   3.726 -11.627  -5.887
  459    HD2  LYS  59           HD2      LYS  59   1.572 -12.402  -5.199
  460    HD3  LYS  59           HD1      LYS  59   0.902 -12.129  -6.809
  461    HE2  LYS  59           HE2      LYS  59   2.316 -13.860  -7.721
  462    HE3  LYS  59           HE1      LYS  59   3.088 -14.098  -6.154
  463    HZ1  LYS  59           HZ1      LYS  59   0.980 -14.835  -5.262
  464    HZ2  LYS  59           HZ2      LYS  59   1.402 -15.772  -6.603
  465    HZ3  LYS  59           HZ3      LYS  59   0.220 -14.574  -6.751
  466    H    GLU  60           H        GLU  60   2.929  -7.528  -8.612
  467    HA   GLU  60           HA       GLU  60   2.344  -5.188  -6.926
  468    HB2  GLU  60           HB2      GLU  60   3.381  -5.264  -9.764
  469    HB3  GLU  60           HB1      GLU  60   3.030  -3.807  -8.848
  470    HG2  GLU  60           HG2      GLU  60   4.759  -4.436  -7.227
  471    HG3  GLU  60           HG1      GLU  60   5.135  -5.856  -8.198
  472    H    ALA  61           H        ALA  61   0.520  -4.059  -7.225
  473    HA   ALA  61           HA       ALA  61  -1.131  -4.612  -9.587
  474    HB1  ALA  61           HB1      ALA  61  -2.167  -4.407  -6.760
  475    HB2  ALA  61           HB2      ALA  61  -2.093  -5.878  -7.729
  476    HB3  ALA  61           HB3      ALA  61  -3.155  -4.556  -8.212
  477    H    THR  62           H        THR  62  -1.970  -2.788 -10.508
  478    HA   THR  62           HA       THR  62  -1.296  -0.258  -9.169
  479    HB   THR  62           HB       THR  62  -1.827  -0.693 -12.112
  480    HG1  THR  62           HG1      THR  62   0.636  -0.586 -10.667
  481   HG21  THR  62          HG21      THR  62  -0.714   1.481 -12.360
  482   HG22  THR  62          HG22      THR  62  -0.549   1.596 -10.608
  483   HG23  THR  62          HG23      THR  62  -2.152   1.610 -11.346
  484    H    ILE  63           H        ILE  63  -2.971   0.639  -8.200
  485    HA   ILE  63           HA       ILE  63  -5.651   0.362  -9.404
  486    HB   ILE  63           HB       ILE  63  -4.966   1.081  -6.543
  487   HG12  ILE  63          HG12      ILE  63  -6.165  -1.261  -6.232
  488   HG13  ILE  63          HG11      ILE  63  -5.545  -1.540  -7.853
  489   HG21  ILE  63          HG21      ILE  63  -7.097   1.993  -7.339
  490   HG22  ILE  63          HG22      ILE  63  -7.327   0.766  -6.094
  491   HG23  ILE  63          HG23      ILE  63  -7.614   0.368  -7.787
  492   HD11  ILE  63          HD11      ILE  63  -3.897  -0.822  -5.437
  493   HD12  ILE  63          HD12      ILE  63  -3.279  -1.113  -7.065
  494   HD13  ILE  63          HD13      ILE  63  -4.043  -2.423  -6.165
  495    HA   PRO  64           HA       PRO  64  -5.377   4.713 -10.567
  496    HB2  PRO  64           HB2      PRO  64  -8.327   4.333 -10.257
  497    HB3  PRO  64           HB1      PRO  64  -7.426   5.115 -11.562
  498    HG2  PRO  64           HG2      PRO  64  -8.412   2.666 -11.883
  499    HG3  PRO  64           HG1      PRO  64  -6.818   3.097 -12.532
  500    HD2  PRO  64           HD2      PRO  64  -7.513   1.436 -10.165
  501    HD3  PRO  64           HD1      PRO  64  -6.129   1.312 -11.267
  502    H    GLY  65           H        GLY  65  -5.504   6.637  -9.464
  503    HA2  GLY  65           HA2      GLY  65  -5.617   6.364  -6.609
  504    HA3  GLY  65           HA1      GLY  65  -5.196   7.813  -7.504
  505    H    HIS  66           H        HIS  66  -8.157   5.863  -7.422
  506    HA   HIS  66           HA       HIS  66  -9.602   7.780  -5.885
  507    HB2  HIS  66           HB2      HIS  66 -11.297   8.259  -7.734
  508    HB3  HIS  66           HB1      HIS  66  -9.761   9.104  -7.835
  509    HD1  HIS  66           HD1      HIS  66  -8.690   9.051 -10.063
  510    HD2  HIS  66           HD2      HIS  66 -11.289   5.849  -9.519
  511    HE1  HIS  66           HE1      HIS  66  -8.722   7.822 -12.255
  512    HE2  HIS  66           HE2      HIS  66 -10.276   5.873 -11.896
  513    H    LEU  67           H        LEU  67  -8.990   4.854  -6.220
  514    HA   LEU  67           HA       LEU  67 -11.770   3.877  -6.157
  515    HB2  LEU  67           HB2      LEU  67  -9.230   2.329  -6.685
  516    HB3  LEU  67           HB1      LEU  67 -10.832   1.627  -6.575
  517    HG   LEU  67           HG       LEU  67  -9.820   3.508  -8.703
  518   HD11  LEU  67          HD11      LEU  67 -10.222   1.632 -10.190
  519   HD12  LEU  67          HD12      LEU  67 -10.766   0.652  -8.830
  520   HD13  LEU  67          HD13      LEU  67  -9.090   1.189  -8.915
  521   HD21  LEU  67          HD21      LEU  67 -12.028   3.242  -9.741
  522   HD22  LEU  67          HD22      LEU  67 -12.123   4.067  -8.187
  523   HD23  LEU  67          HD23      LEU  67 -12.585   2.370  -8.313
  524    H    ASN  68           H        ASN  68  -8.558   3.305  -4.695
  525    HA   ASN  68           HA       ASN  68  -7.923   2.867  -2.555
  526    HB2  ASN  68           HB2      ASN  68 -10.554   4.242  -1.965
  527    HB3  ASN  68           HB1      ASN  68  -9.356   3.837  -0.739
  528   HD21  ASN  68          HD21      ASN  68  -7.533   5.056  -0.549
  529   HD22  ASN  68          HD22      ASN  68  -7.250   6.504  -1.462
  530    H    SER  69           H        SER  69  -9.144   0.787  -3.950
  531    HA   SER  69           HA       SER  69  -9.698  -1.027  -1.846
  532    HB2  SER  69           HB2      SER  69 -11.927   0.057  -1.996
  533    HB3  SER  69           HB1      SER  69 -12.005  -0.361  -3.704
  534    HG   SER  69           HG       SER  69 -12.594  -2.307  -3.183
  535    H    TYR  70           H        TYR  70  -9.095  -3.017  -2.510
  536    HA   TYR  70           HA       TYR  70  -9.191  -3.684  -5.347
  537    HB2  TYR  70           HB2      TYR  70  -6.974  -2.632  -4.963
  538    HB3  TYR  70           HB1      TYR  70  -6.630  -3.843  -3.735
  539    HD1  TYR  70           HD1      TYR  70  -5.548  -5.805  -4.339
  540    HD2  TYR  70           HD2      TYR  70  -7.497  -3.522  -7.351
  541    HE1  TYR  70           HE1      TYR  70  -4.607  -7.288  -6.060
  542    HE2  TYR  70           HE2      TYR  70  -6.563  -4.998  -9.082
  543    HH   TYR  70           HH       TYR  70  -5.123  -7.983  -8.372
  544    H    THR  71           H        THR  71  -9.357  -5.873  -5.735
  545    HA   THR  71           HA       THR  71  -9.598  -7.561  -3.341
  546    HB   THR  71           HB       THR  71 -10.756  -8.009  -6.102
  547    HG1  THR  71           HG1      THR  71 -11.642  -6.647  -3.854
  548   HG21  THR  71          HG21      THR  71 -10.334 -10.092  -4.859
  549   HG22  THR  71          HG22      THR  71 -12.060  -9.780  -5.038
  550   HG23  THR  71          HG23      THR  71 -11.262  -9.461  -3.498
  551    H    ILE  72           H        ILE  72  -7.587  -8.382  -3.038
  552    HA   ILE  72           HA       ILE  72  -5.876  -9.157  -5.207
  553    HB   ILE  72           HB       ILE  72  -5.575  -9.933  -2.304
  554   HG12  ILE  72          HG12      ILE  72  -4.514  -7.468  -3.707
  555   HG13  ILE  72          HG11      ILE  72  -5.805  -7.480  -2.509
  556   HG21  ILE  72          HG21      ILE  72  -3.581  -9.666  -4.550
  557   HG22  ILE  72          HG22      ILE  72  -4.170 -11.172  -3.847
  558   HG23  ILE  72          HG23      ILE  72  -3.192 -10.071  -2.877
  559   HD11  ILE  72          HD11      ILE  72  -3.847  -6.798  -1.385
  560   HD12  ILE  72          HD12      ILE  72  -2.898  -8.103  -2.107
  561   HD13  ILE  72          HD13      ILE  72  -4.134  -8.475  -0.906
  562    H    LYS  73           H        LYS  73  -5.959 -11.026  -6.283
  563    HA   LYS  73           HA       LYS  73  -7.372 -13.279  -5.025
  564    HB2  LYS  73           HB2      LYS  73  -6.834 -12.834  -7.964
  565    HB3  LYS  73           HB1      LYS  73  -7.805 -14.118  -7.263
  566    HG2  LYS  73           HG2      LYS  73  -9.357 -12.369  -6.393
  567    HG3  LYS  73           HG1      LYS  73  -8.429 -11.176  -7.307
  568    HD2  LYS  73           HD2      LYS  73  -8.878 -12.523  -9.364
  569    HD3  LYS  73           HD1      LYS  73  -9.952 -13.536  -8.401
  570    HE2  LYS  73           HE2      LYS  73 -11.301 -11.930  -9.525
  571    HE3  LYS  73           HE1      LYS  73 -11.243 -11.475  -7.824
  572    HZ1  LYS  73           HZ1      LYS  73 -10.967  -9.569  -9.308
  573    HZ2  LYS  73           HZ2      LYS  73  -9.578 -10.268  -9.970
  574    HZ3  LYS  73           HZ3      LYS  73  -9.596  -9.801  -8.345
  575    H    GLY  74           H        GLY  74  -6.471 -15.343  -5.109
  576    HA2  GLY  74           HA2      GLY  74  -4.791 -16.914  -5.679
  577    HA3  GLY  74           HA1      GLY  74  -3.737 -15.586  -6.143
  578    H    LEU  75           H        LEU  75  -5.476 -15.298  -3.198
  579    HA   LEU  75           HA       LEU  75  -2.970 -15.462  -1.715
  580    HB2  LEU  75           HB2      LEU  75  -5.711 -14.480  -0.928
  581    HB3  LEU  75           HB1      LEU  75  -4.328 -14.504   0.148
  582    HG   LEU  75           HG       LEU  75  -4.564 -12.873  -2.384
  583   HD11  LEU  75          HD11      LEU  75  -5.970 -12.006  -0.660
  584   HD12  LEU  75          HD12      LEU  75  -4.543 -10.980  -0.801
  585   HD13  LEU  75          HD13      LEU  75  -4.673 -12.134   0.525
  586   HD21  LEU  75          HD21      LEU  75  -2.267 -13.541  -2.022
  587   HD22  LEU  75          HD22      LEU  75  -2.358 -13.034  -0.337
  588   HD23  LEU  75          HD23      LEU  75  -2.466 -11.835  -1.626
  589    H    LYS  76           H        LYS  76  -2.447 -17.149  -0.526
  590    HA   LYS  76           HA       LYS  76  -4.325 -19.336  -0.232
  591    HB2  LYS  76           HB2      LYS  76  -1.437 -19.087   0.640
  592    HB3  LYS  76           HB1      LYS  76  -2.383 -20.571   0.623
  593    HG2  LYS  76           HG2      LYS  76  -2.482 -20.590  -1.742
  594    HG3  LYS  76           HG1      LYS  76  -1.856 -18.946  -1.848
  595    HD2  LYS  76           HD2      LYS  76  -0.119 -20.533  -2.423
  596    HD3  LYS  76           HD1      LYS  76   0.284 -19.724  -0.908
  597    HE2  LYS  76           HE2      LYS  76  -0.493 -21.656   0.348
  598    HE3  LYS  76           HE1      LYS  76  -0.967 -22.458  -1.150
  599    HZ1  LYS  76           HZ1      LYS  76   1.172 -23.246  -0.348
  600    HZ2  LYS  76           HZ2      LYS  76   1.802 -21.678  -0.416
  601    HZ3  LYS  76           HZ3      LYS  76   1.342 -22.464  -1.839
  602    HA   PRO  77           HA       PRO  77  -5.560 -17.840   3.781
  603    HB2  PRO  77           HB2      PRO  77  -7.123 -19.958   4.458
  604    HB3  PRO  77           HB1      PRO  77  -7.635 -18.705   3.322
  605    HG2  PRO  77           HG2      PRO  77  -6.530 -21.429   2.765
  606    HG3  PRO  77           HG1      PRO  77  -7.879 -20.586   1.981
  607    HD2  PRO  77           HD2      PRO  77  -5.412 -20.724   0.877
  608    HD3  PRO  77           HD1      PRO  77  -6.483 -19.327   0.647
  609    H    GLY  78           H        GLY  78  -4.723 -18.023   5.775
  610    HA2  GLY  78           HA2      GLY  78  -3.790 -19.076   7.644
  611    HA3  GLY  78           HA1      GLY  78  -3.651 -20.561   6.713
  612    H    VAL  79           H        VAL  79  -2.491 -18.145   4.820
  613    HA   VAL  79           HA       VAL  79   0.278 -18.695   5.635
  614    HB   VAL  79           HB       VAL  79  -0.818 -17.772   2.966
  615   HG11  VAL  79          HG11      VAL  79   1.404 -16.842   3.363
  616   HG12  VAL  79          HG12      VAL  79   1.446 -18.090   2.113
  617   HG13  VAL  79          HG13      VAL  79   2.011 -18.456   3.743
  618   HG21  VAL  79          HG21      VAL  79   0.357 -20.399   3.845
  619   HG22  VAL  79          HG22      VAL  79  -0.034 -19.972   2.180
  620   HG23  VAL  79          HG23      VAL  79  -1.318 -20.095   3.385
  621    H    VAL  80           H        VAL  80   1.675 -17.015   6.065
  622    HA   VAL  80           HA       VAL  80   0.410 -14.483   6.675
  623    HB   VAL  80           HB       VAL  80   3.320 -15.200   7.039
  624   HG11  VAL  80          HG11      VAL  80   3.260 -13.472   8.766
  625   HG12  VAL  80          HG12      VAL  80   1.564 -13.160   8.398
  626   HG13  VAL  80          HG13      VAL  80   2.805 -12.823   7.192
  627   HG21  VAL  80          HG21      VAL  80   2.768 -15.842   9.328
  628   HG22  VAL  80          HG22      VAL  80   1.932 -16.871   8.165
  629   HG23  VAL  80          HG23      VAL  80   1.056 -15.586   8.996
  630    H    TYR  81           H        TYR  81   0.191 -13.030   5.109
  631    HA   TYR  81           HA       TYR  81   2.272 -12.830   3.051
  632    HB2  TYR  81           HB2      TYR  81  -0.601 -11.943   3.150
  633    HB3  TYR  81           HB1      TYR  81   0.515 -11.298   1.954
  634    HD1  TYR  81           HD1      TYR  81   1.169 -12.579   0.062
  635    HD2  TYR  81           HD2      TYR  81  -1.187 -14.360   3.123
  636    HE1  TYR  81           HE1      TYR  81   0.711 -14.490  -1.413
  637    HE2  TYR  81           HE2      TYR  81  -1.649 -16.279   1.657
  638    HH   TYR  81           HH       TYR  81   0.058 -16.842  -1.232
  639    H    GLU  82           H        GLU  82   3.368 -10.961   2.662
  640    HA   GLU  82           HA       GLU  82   3.022  -8.762   4.586
  641    HB2  GLU  82           HB2      GLU  82   5.249  -9.157   2.573
  642    HB3  GLU  82           HB1      GLU  82   5.230  -8.034   3.924
  643    HG2  GLU  82           HG2      GLU  82   5.283  -9.904   5.485
  644    HG3  GLU  82           HG1      GLU  82   5.288 -11.034   4.132
  645    H    GLY  83           H        GLY  83   2.274  -6.791   3.890
  646    HA2  GLY  83           HA2      GLY  83   1.921  -6.472   0.977
  647    HA3  GLY  83           HA1      GLY  83   0.598  -6.163   2.091
  648    H    GLN  84           H        GLN  84   2.101  -4.464   0.152
  649    HA   GLN  84           HA       GLN  84   2.572  -2.236   2.016
  650    HB2  GLN  84           HB2      GLN  84   4.150  -2.727  -0.518
  651    HB3  GLN  84           HB1      GLN  84   4.386  -1.417   0.627
  652    HG2  GLN  84           HG2      GLN  84   5.034  -3.086   2.332
  653    HG3  GLN  84           HG1      GLN  84   4.895  -4.341   1.103
  654   HE21  GLN  84          HE21      GLN  84   6.385  -4.425  -0.563
  655   HE22  GLN  84          HE22      GLN  84   7.891  -3.575  -0.509
  656    H    LEU  85           H        LEU  85   1.240  -0.593   1.592
  657    HA   LEU  85           HA       LEU  85   0.095  -0.356  -1.097
  658    HB2  LEU  85           HB2      LEU  85  -1.381  -0.271   0.957
  659    HB3  LEU  85           HB1      LEU  85  -0.607   1.244   1.371
  660    HG   LEU  85           HG       LEU  85  -2.879   1.408   0.252
  661   HD11  LEU  85          HD11      LEU  85  -1.336   3.314   0.374
  662   HD12  LEU  85          HD12      LEU  85  -2.294   3.321  -1.107
  663   HD13  LEU  85          HD13      LEU  85  -0.608   2.805  -1.152
  664   HD21  LEU  85          HD21      LEU  85  -2.995   1.153  -2.147
  665   HD22  LEU  85          HD22      LEU  85  -2.495  -0.369  -1.410
  666   HD23  LEU  85          HD23      LEU  85  -1.304   0.658  -2.207
  667    H    ILE  86           H        ILE  86   1.262   0.787  -2.451
  668    HA   ILE  86           HA       ILE  86   2.898   3.006  -1.416
  669    HB   ILE  86           HB       ILE  86   3.191   1.617  -4.078
  670   HG12  ILE  86          HG12      ILE  86   4.894   1.087  -1.652
  671   HG13  ILE  86          HG11      ILE  86   3.454   0.134  -1.987
  672   HG21  ILE  86          HG21      ILE  86   5.444   2.586  -4.020
  673   HG22  ILE  86          HG22      ILE  86   5.068   3.354  -2.478
  674   HG23  ILE  86          HG23      ILE  86   4.198   3.831  -3.936
  675   HD11  ILE  86          HD11      ILE  86   5.814   0.427  -3.824
  676   HD12  ILE  86          HD12      ILE  86   4.385  -0.576  -4.097
  677   HD13  ILE  86          HD13      ILE  86   5.488  -0.950  -2.771
  678    H    SER  87           H        SER  87   1.750   4.839  -1.594
  679    HA   SER  87           HA       SER  87   0.040   5.249  -3.917
  680    HB2  SER  87           HB2      SER  87  -0.599   7.355  -2.675
  681    HB3  SER  87           HB1      SER  87  -0.968   5.852  -1.832
  682    HG   SER  87           HG       SER  87   1.309   7.494  -1.395
  683    H    ILE  88           H        ILE  88   0.847   6.146  -5.687
  684    HA   ILE  88           HA       ILE  88   3.230   7.840  -5.493
  685    HB   ILE  88           HB       ILE  88   1.850   7.030  -8.046
  686   HG12  ILE  88          HG12      ILE  88   2.330   4.978  -6.784
  687   HG13  ILE  88          HG11      ILE  88   3.368   5.112  -8.197
  688   HG21  ILE  88          HG21      ILE  88   4.696   7.807  -7.417
  689   HG22  ILE  88          HG22      ILE  88   3.491   8.818  -8.211
  690   HG23  ILE  88          HG23      ILE  88   4.082   7.361  -9.009
  691   HD11  ILE  88          HD11      ILE  88   5.203   5.848  -6.785
  692   HD12  ILE  88          HD12      ILE  88   4.576   4.284  -6.261
  693   HD13  ILE  88          HD13      ILE  88   4.161   5.746  -5.366
  694    H    GLN  89           H        GLN  89   2.750   9.899  -5.034
  695    HA   GLN  89           HA       GLN  89   0.297  11.099  -6.014
  696    HB2  GLN  89           HB2      GLN  89   2.550  12.370  -4.453
  697    HB3  GLN  89           HB1      GLN  89   0.950  13.049  -4.717
  698    HG2  GLN  89           HG2      GLN  89   0.096  10.932  -3.533
  699    HG3  GLN  89           HG1      GLN  89   1.760  10.756  -2.978
  700   HE21  GLN  89          HE21      GLN  89   1.279  11.119  -0.832
  701   HE22  GLN  89          HE22      GLN  89   0.772  12.664  -0.225
  702    H    GLN  90           H        GLN  90   0.322  13.153  -7.136
  703    HA   GLN  90           HA       GLN  90   1.790  12.923  -9.541
  704    HB2  GLN  90           HB2      GLN  90   0.653  14.990 -10.200
  705    HB3  GLN  90           HB1      GLN  90  -0.466  13.836  -9.488
  706    HG2  GLN  90           HG2      GLN  90  -0.468  15.055  -7.410
  707    HG3  GLN  90           HG1      GLN  90   0.758  16.163  -8.024
  708   HE21  GLN  90          HE21      GLN  90  -1.901  16.755  -7.028
  709   HE22  GLN  90          HE22      GLN  90  -2.733  17.544  -8.321
  710    H    TYR  91           H        TYR  91   2.791  14.129  -6.627
  711    HA   TYR  91           HA       TYR  91   4.639  16.044  -7.865
  712    HB2  TYR  91           HB2      TYR  91   3.845  15.634  -4.981
  713    HB3  TYR  91           HB1      TYR  91   5.107  16.745  -5.501
  714    HD1  TYR  91           HD1      TYR  91   4.483  18.650  -7.020
  715    HD2  TYR  91           HD2      TYR  91   1.568  16.274  -5.039
  716    HE1  TYR  91           HE1      TYR  91   2.812  20.409  -7.384
  717    HE2  TYR  91           HE2      TYR  91  -0.117  18.031  -5.399
  718    HH   TYR  91           HH       TYR  91   0.440  20.707  -7.495
  719    H    GLY  92           H        GLY  92   4.673  12.970  -7.688
  720    HA2  GLY  92           HA2      GLY  92   6.423  11.480  -7.847
  721    HA3  GLY  92           HA1      GLY  92   7.526  12.796  -7.465
  722    H    HIS  93           H        HIS  93   5.044  12.508  -5.200
  723    HA   HIS  93           HA       HIS  93   6.875  11.457  -3.224
  724    HB2  HIS  93           HB2      HIS  93   4.093  12.586  -3.111
  725    HB3  HIS  93           HB1      HIS  93   4.743  11.690  -1.745
  726    HD1  HIS  93           HD1      HIS  93   4.995  13.579  -0.125
  727    HD2  HIS  93           HD2      HIS  93   6.810  14.360  -3.781
  728    HE1  HIS  93           HE1      HIS  93   6.311  15.692   0.215
  729    HE2  HIS  93           HE2      HIS  93   7.470  16.102  -1.984
  730    H    GLN  94           H        GLN  94   7.044   9.379  -2.729
  731    HA   GLN  94           HA       GLN  94   4.759   7.628  -3.340
  732    HB2  GLN  94           HB2      GLN  94   7.638   6.809  -2.911
  733    HB3  GLN  94           HB1      GLN  94   6.317   5.779  -3.442
  734    HG2  GLN  94           HG2      GLN  94   6.144   7.184  -5.492
  735    HG3  GLN  94           HG1      GLN  94   7.601   8.027  -4.968
  736   HE21  GLN  94          HE21      GLN  94   7.167   6.438  -7.357
  737   HE22  GLN  94          HE22      GLN  94   8.327   5.155  -7.312
  738    H    GLU  95           H        GLU  95   3.632   7.095  -1.621
  739    HA   GLU  95           HA       GLU  95   4.976   6.998   0.990
  740    HB2  GLU  95           HB2      GLU  95   2.210   7.723   0.144
  741    HB3  GLU  95           HB1      GLU  95   2.418   6.966   1.715
  742    HG2  GLU  95           HG2      GLU  95   2.363   9.419   1.820
  743    HG3  GLU  95           HG1      GLU  95   3.860   8.735   2.442
  744    H    VAL  96           H        VAL  96   5.340   5.067   1.811
  745    HA   VAL  96           HA       VAL  96   3.852   2.786   0.695
  746    HB   VAL  96           HB       VAL  96   6.585   2.753   1.986
  747   HG11  VAL  96          HG11      VAL  96   5.084   0.635   0.451
  748   HG12  VAL  96          HG12      VAL  96   5.407   0.637   2.184
  749   HG13  VAL  96          HG13      VAL  96   6.741   0.495   1.038
  750   HG21  VAL  96          HG21      VAL  96   5.829   2.717  -0.933
  751   HG22  VAL  96          HG22      VAL  96   7.446   2.404  -0.305
  752   HG23  VAL  96          HG23      VAL  96   6.706   3.990  -0.086
  753    H    THR  97           H        THR  97   2.253   2.319   2.071
  754    HA   THR  97           HA       THR  97   2.816   2.266   4.945
  755    HB   THR  97           HB       THR  97   0.155   1.815   3.578
  756    HG1  THR  97           HG1      THR  97  -0.126   4.102   4.391
  757   HG21  THR  97          HG21      THR  97   0.249   0.995   5.865
  758   HG22  THR  97          HG22      THR  97  -0.739   2.454   5.794
  759   HG23  THR  97          HG23      THR  97   0.909   2.534   6.415
  760    H    ARG  98           H        ARG  98   3.538   0.416   5.744
  761    HA   ARG  98           HA       ARG  98   3.148  -2.034   4.208
  762    HB2  ARG  98           HB2      ARG  98   5.000  -1.408   6.511
  763    HB3  ARG  98           HB1      ARG  98   4.935  -2.949   5.664
  764    HG2  ARG  98           HG2      ARG  98   5.547  -1.804   3.578
  765    HG3  ARG  98           HG1      ARG  98   5.666  -0.288   4.465
  766    HD2  ARG  98           HD2      ARG  98   7.479  -1.136   5.785
  767    HD3  ARG  98           HD1      ARG  98   7.288  -2.748   5.092
  768    HE   ARG  98           HE       ARG  98   7.818  -1.503   2.891
  769   HH11  ARG  98          HH11      ARG  98   9.221  -0.796   6.025
  770   HH12  ARG  98          HH12      ARG  98  10.697  -0.174   5.359
  771   HH21  ARG  98          HH21      ARG  98   9.751  -0.675   2.019
  772   HH22  ARG  98          HH22      ARG  98  10.997  -0.100   3.080
  773    H    PHE  99           H        PHE  99   2.102  -3.781   4.897
  774    HA   PHE  99           HA       PHE  99   1.166  -4.001   7.636
  775    HB2  PHE  99           HB2      PHE  99  -1.206  -4.267   6.938
  776    HB3  PHE  99           HB1      PHE  99  -0.597  -2.643   6.645
  777    HD1  PHE  99           HD1      PHE  99  -2.026  -5.607   5.175
  778    HD2  PHE  99           HD2      PHE  99  -0.004  -1.960   4.315
  779    HE1  PHE  99           HE1      PHE  99  -2.748  -5.762   2.829
  780    HE2  PHE  99           HE2      PHE  99  -0.722  -2.112   1.968
  781    HZ   PHE  99           HZ       PHE  99  -2.095  -4.013   1.222
  782    H    ASP 100           H        ASP 100  -0.400  -6.070   7.624
  783    HA   ASP 100           HA       ASP 100   0.580  -8.086   5.750
  784    HB2  ASP 100           HB2      ASP 100   0.990  -9.705   7.564
  785    HB3  ASP 100           HB1      ASP 100   2.056  -8.313   7.698
  786    H    PHE 101           H        PHE 101  -0.799 -10.068   5.821
  787    HA   PHE 101           HA       PHE 101  -3.386  -9.750   7.038
  788    HB2  PHE 101           HB2      PHE 101  -4.613  -9.777   4.844
  789    HB3  PHE 101           HB1      PHE 101  -3.782  -8.273   5.217
  790    HD1  PHE 101           HD1      PHE 101  -3.895 -11.184   3.024
  791    HD2  PHE 101           HD2      PHE 101  -1.842  -7.575   3.942
  792    HE1  PHE 101           HE1      PHE 101  -2.769 -11.273   0.841
  793    HE2  PHE 101           HE2      PHE 101  -0.712  -7.659   1.759
  794    HZ   PHE 101           HZ       PHE 101  -1.178  -9.509   0.205
  795    H    THR 102           H        THR 102  -4.947 -11.441   6.095
  796    HA   THR 102           HA       THR 102  -5.517 -13.591   5.691
  797    HB   THR 102           HB       THR 102  -2.656 -14.064   4.827
  798    HG1  THR 102           HG1      THR 102  -4.273 -13.957   2.757
  799   HG21  THR 102          HG21      THR 102  -5.199 -15.597   4.262
  800   HG22  THR 102          HG22      THR 102  -3.891 -16.121   5.322
  801   HG23  THR 102          HG23      THR 102  -3.609 -15.956   3.589
  802    H    THR 103           H        THR 103  -2.470 -13.092   7.383
  803    HA   THR 103           HA       THR 103  -2.617 -15.479   8.932
  804    HB   THR 103           HB       THR 103  -0.480 -14.365   8.551
  805    HG1  THR 103           HG1      THR 103  -0.519 -13.945  11.244
  806   HG21  THR 103          HG21      THR 103  -1.601 -12.127  10.238
  807   HG22  THR 103          HG22      THR 103  -1.219 -12.047   8.518
  808   HG23  THR 103          HG23      THR 103   0.074 -12.261   9.699
  809    H    THR 104           H        THR 104  -4.004 -12.315   9.207
  810    HA   THR 104           HA       THR 104  -4.622 -12.526  12.003
  811    HB   THR 104           HB       THR 104  -5.832 -10.631   9.979
  812    HG1  THR 104           HG1      THR 104  -4.109  -9.218  10.918
  813   HG21  THR 104          HG21      THR 104  -6.201  -9.190  11.915
  814   HG22  THR 104          HG22      THR 104  -5.468 -10.398  12.971
  815   HG23  THR 104          HG23      THR 104  -6.988 -10.752  12.151
  816    H    SER 105           H        SER 105  -5.677 -14.561  12.032
  817    HA   SER 105           HA       SER 105  -8.512 -14.397  11.518
  818    HB2  SER 105           HB2      SER 105  -7.455 -15.218   9.359
  819    HB3  SER 105           HB1      SER 105  -6.943 -16.653  10.246
  820    HG   SER 105           HG       SER 105  -9.599 -15.760   9.777
  821    H    THR 106           H        THR 106  -7.478 -14.417  13.936
  822    HA   THR 106           HA       THR 106  -7.278 -17.143  14.936
  823    HB   THR 106           HB       THR 106  -7.016 -15.963  17.170
  824    HG1  THR 106           HG1      THR 106  -6.803 -13.769  17.170
  825   HG21  THR 106          HG21      THR 106  -5.060 -15.274  14.973
  826   HG22  THR 106          HG22      THR 106  -5.095 -16.775  15.895
  827   HG23  THR 106          HG23      THR 106  -4.712 -15.255  16.701
  828    H    SER 107           H        SER 107  -9.767 -16.313  13.760
  829    HA   SER 107           HA       SER 107 -11.613 -15.755  15.902
  830    HB2  SER 107           HB2      SER 107 -12.182 -16.490  13.020
  831    HB3  SER 107           HB1      SER 107 -13.308 -15.754  14.160
  832    HG   SER 107           HG       SER 107 -11.018 -14.317  14.007
  833    H    THR 108           H        THR 108 -10.583 -17.831  16.888
  834    HA   THR 108           HA       THR 108 -11.570 -20.336  15.956
  835    HB   THR 108           HB       THR 108 -10.407 -19.654  18.660
  836    HG1  THR 108           HG1      THR 108  -9.301 -20.029  16.129
  837   HG21  THR 108          HG21      THR 108 -10.566 -22.298  17.205
  838   HG22  THR 108          HG22      THR 108 -11.592 -21.823  18.558
  839   HG23  THR 108          HG23      THR 108  -9.856 -22.015  18.794
  840    HA   PRO 109           HA       PRO 109 -14.638 -19.952  19.742
  841    HB2  PRO 109           HB2      PRO 109 -15.241 -17.390  20.487
  842    HB3  PRO 109           HB1      PRO 109 -14.030 -18.388  21.296
  843    HG2  PRO 109           HG2      PRO 109 -13.652 -16.278  19.204
  844    HG3  PRO 109           HG1      PRO 109 -12.725 -16.557  20.689
  845    HD2  PRO 109           HD2      PRO 109 -11.809 -17.368  18.309
  846    HD3  PRO 109           HD1      PRO 109 -11.559 -18.341  19.774
  847    H    GLY 110           H        GLY 110 -16.432 -20.470  18.668
  848    HA2  GLY 110           HA2      GLY 110 -17.697 -18.396  16.991
  849    HA3  GLY 110           HA1      GLY 110 -17.635 -20.083  16.507
  850    H    SER 111           H        SER 111 -18.756 -18.016  19.165
  851    HA   SER 111           HA       SER 111 -20.652 -19.972  20.076
  852    HB2  SER 111           HB2      SER 111 -20.451 -17.040  20.803
  853    HB3  SER 111           HB1      SER 111 -21.297 -18.295  21.709
  854    HG   SER 111           HG       SER 111 -18.872 -17.555  22.103
  855    H    ARG 112           H        ARG 112 -20.626 -17.840  17.523
  856    HA   ARG 112           HA       ARG 112 -23.549 -17.969  17.327
  857    HB2  ARG 112           HB2      ARG 112 -23.593 -15.718  16.351
  858    HB3  ARG 112           HB1      ARG 112 -22.959 -15.691  17.989
  859    HG2  ARG 112           HG2      ARG 112 -20.669 -15.617  17.053
  860    HG3  ARG 112           HG1      ARG 112 -21.372 -15.515  15.437
  861    HD2  ARG 112           HD2      ARG 112 -22.562 -13.459  16.140
  862    HD3  ARG 112           HD1      ARG 112 -21.729 -13.546  17.691
  863    HE   ARG 112           HE       ARG 112 -19.941 -13.560  15.449
  864   HH11  ARG 112          HH11      ARG 112 -21.796 -11.517  17.604
  865   HH12  ARG 112          HH12      ARG 112 -20.808 -10.118  17.342
  866   HH21  ARG 112          HH21      ARG 112 -18.634 -11.713  15.101
  867   HH22  ARG 112          HH22      ARG 112 -19.001 -10.233  15.922
  868    H    SER 113           H        SER 113 -24.368 -18.240  15.247
  869    HA   SER 113           HA       SER 113 -22.389 -19.184  13.318
  870    HB2  SER 113           HB2      SER 113 -24.482 -20.160  12.197
  871    HB3  SER 113           HB1      SER 113 -24.001 -20.858  13.743
  872    HG   SER 113           HG       SER 113 -25.755 -20.098  14.646
  873    H    HIS 114           H        HIS 114 -21.757 -17.752  11.864
  874    HA   HIS 114           HA       HIS 114 -23.629 -15.669  11.019
  875    HB2  HIS 114           HB2      HIS 114 -21.581 -14.656   9.912
  876    HB3  HIS 114           HB1      HIS 114 -21.569 -14.706  11.667
  877    HD1  HIS 114           HD1      HIS 114 -19.456 -15.501  12.655
  878    HD2  HIS 114           HD2      HIS 114 -20.001 -16.963   8.797
  879    HE1  HIS 114           HE1      HIS 114 -17.363 -16.786  12.111
  880    HE2  HIS 114           HE2      HIS 114 -17.663 -17.555   9.730
  881    H    HIS 115           H        HIS 115 -24.287 -15.395   8.946
  882    HA   HIS 115           HA       HIS 115 -23.962 -17.750   7.244
  883    HB2  HIS 115           HB2      HIS 115 -25.987 -15.510   7.233
  884    HB3  HIS 115           HB1      HIS 115 -25.902 -16.737   5.975
  885    HD1  HIS 115           HD1      HIS 115 -27.034 -18.935   6.435
  886    HD2  HIS 115           HD2      HIS 115 -26.737 -16.544   9.824
  887    HE1  HIS 115           HE1      HIS 115 -28.401 -20.089   8.198
  888    HE2  HIS 115           HE2      HIS 115 -28.090 -18.705  10.278
  889    H    HIS 116           H        HIS 116 -23.393 -17.604   5.080
  890    HA   HIS 116           HA       HIS 116 -21.742 -15.276   4.441
  891    HB2  HIS 116           HB2      HIS 116 -21.881 -18.071   3.315
  892    HB3  HIS 116           HB1      HIS 116 -20.947 -16.792   2.549
  893    HD1  HIS 116           HD1      HIS 116 -18.617 -16.556   3.306
  894    HD2  HIS 116           HD2      HIS 116 -20.950 -18.601   6.075
  895    HE1  HIS 116           HE1      HIS 116 -17.024 -17.354   5.077
  896    HE2  HIS 116           HE2      HIS 116 -18.427 -18.760   6.625
  897    H    HIS 117           H        HIS 117 -23.510 -13.878   3.896
  898    HA   HIS 117           HA       HIS 117 -25.067 -14.641   1.546
  899    HB2  HIS 117           HB2      HIS 117 -26.201 -13.579   3.503
  900    HB3  HIS 117           HB1      HIS 117 -25.269 -12.116   3.202
  901    HD1  HIS 117           HD1      HIS 117 -26.832 -10.462   2.236
  902    HD2  HIS 117           HD2      HIS 117 -27.428 -14.260   0.653
  903    HE1  HIS 117           HE1      HIS 117 -28.602 -10.190   0.475
  904    HE2  HIS 117           HE2      HIS 117 -28.880 -12.479  -0.534
  905    H    HIS 118           H        HIS 118 -22.544 -12.449   2.551
  906    HA   HIS 118           HA       HIS 118 -22.487 -11.060   0.016
  907    HB2  HIS 118           HB2      HIS 118 -20.654 -10.980   2.419
  908    HB3  HIS 118           HB1      HIS 118 -20.374 -10.038   0.963
  909    HD1  HIS 118           HD1      HIS 118 -21.916  -9.811   4.196
  910    HD2  HIS 118           HD2      HIS 118 -22.682  -8.211   0.435
  911    HE1  HIS 118           HE1      HIS 118 -23.378  -7.805   4.595
  912    HE2  HIS 118           HE2      HIS 118 -23.672  -6.758   2.326
  913    H    HIS 119           H        HIS 119 -20.311 -13.231   1.793
  914    HA   HIS 119           HA       HIS 119 -19.425 -14.408  -0.711
  915    HB2  HIS 119           HB2      HIS 119 -17.624 -12.893   1.161
  916    HB3  HIS 119           HB1      HIS 119 -16.996 -14.215   0.184
  917    HD1  HIS 119           HD1      HIS 119 -17.217 -10.699   0.084
  918    HD2  HIS 119           HD2      HIS 119 -17.859 -13.709  -2.709
  919    HE1  HIS 119           HE1      HIS 119 -17.047  -9.586  -2.161
  920    HE2  HIS 119           HE2      HIS 119 -17.258 -11.463  -3.829
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -7.996  14.678   7.135
    2    H2   GLY   1           HT2      GLY   1  -6.817  13.784   6.312
    3    H3   GLY   1           HT3      GLY   1  -7.040  15.427   5.957
    4    HA2  GLY   1           HA1      GLY   1  -5.081  15.179   7.302
    5    HA3  GLY   1           HA2      GLY   1  -6.332  16.030   8.195
    6    H    SER   2           H        SER   2  -5.293  15.394  10.151
    7    HA   SER   2           HA       SER   2  -6.156  12.761  11.033
    8    HB2  SER   2           HB2      SER   2  -3.869  12.357  10.303
    9    HB3  SER   2           HB1      SER   2  -3.294  13.727  11.250
   10    HG   SER   2           HG       SER   2  -4.540  11.404  12.311
   11    H    GLN   3           H        GLN   3  -4.255  15.582  12.116
   12    HA   GLN   3           HA       GLN   3  -6.193  16.400  14.017
   13    HB2  GLN   3           HB2      GLN   3  -5.306  14.409  15.213
   14    HB3  GLN   3           HB1      GLN   3  -3.698  15.117  15.158
   15    HG2  GLN   3           HG2      GLN   3  -4.484  17.003  16.504
   16    HG3  GLN   3           HG1      GLN   3  -6.089  16.281  16.569
   17   HE21  GLN   3          HE21      GLN   3  -4.285  16.953  18.743
   18   HE22  GLN   3          HE22      GLN   3  -4.020  15.479  19.613
   19    H    THR   4           H        THR   4  -2.632  16.357  14.082
   20    HA   THR   4           HA       THR   4  -2.686  19.278  13.689
   21    HB   THR   4           HB       THR   4  -0.428  19.206  14.904
   22    HG1  THR   4           HG1      THR   4   0.205  17.282  15.493
   23   HG21  THR   4          HG21      THR   4  -2.946  18.544  16.434
   24   HG22  THR   4          HG22      THR   4  -2.430  20.150  15.927
   25   HG23  THR   4          HG23      THR   4  -1.489  19.259  17.122
   26    H    THR   5           H        THR   5  -2.074  16.499  12.177
   27    HA   THR   5           HA       THR   5  -0.178  17.760  10.351
   28    HB   THR   5           HB       THR   5   0.160  14.967  11.476
   29    HG1  THR   5           HG1      THR   5   1.392  17.443  11.915
   30   HG21  THR   5          HG21      THR   5   1.817  16.389   9.387
   31   HG22  THR   5          HG22      THR   5   0.691  15.073   9.065
   32   HG23  THR   5          HG23      THR   5   2.124  14.783  10.051
   33    H    ALA   6           H        ALA   6  -0.750  17.471   8.277
   34    HA   ALA   6           HA       ALA   6  -2.940  15.591   7.716
   35    HB1  ALA   6           HB1      ALA   6  -3.451  17.928   7.242
   36    HB2  ALA   6           HB2      ALA   6  -3.408  16.979   5.756
   37    HB3  ALA   6           HB3      ALA   6  -2.052  18.025   6.172
   38    HA   PRO   7           HA       PRO   7   0.603  13.529   5.720
   39    HB2  PRO   7           HB2      PRO   7  -1.031  11.127   5.900
   40    HB3  PRO   7           HB1      PRO   7   0.513  11.479   6.680
   41    HG2  PRO   7           HG2      PRO   7  -1.827  11.276   8.047
   42    HG3  PRO   7           HG1      PRO   7  -0.483  12.307   8.571
   43    HD2  PRO   7           HD2      PRO   7  -3.007  13.057   7.148
   44    HD3  PRO   7           HD1      PRO   7  -2.157  13.900   8.462
   45    H    ASP   8           H        ASP   8   0.870  12.644   3.658
   46    HA   ASP   8           HA       ASP   8  -1.473  12.863   1.899
   47    HB2  ASP   8           HB2      ASP   8   1.468  12.717   1.190
   48    HB3  ASP   8           HB1      ASP   8   0.151  12.920   0.044
   49    H    ALA   9           H        ALA   9   0.100  10.640   3.655
   50    HA   ALA   9           HA       ALA   9  -0.054   8.477   1.691
   51    HB1  ALA   9           HB1      ALA   9   1.250   7.182   3.231
   52    HB2  ALA   9           HB2      ALA   9   1.071   8.412   4.481
   53    HB3  ALA   9           HB3      ALA   9   2.015   8.760   3.033
   54    HA   PRO  10           HA       PRO  10  -3.976   7.121   3.434
   55    HB2  PRO  10           HB2      PRO  10  -3.091   4.576   2.181
   56    HB3  PRO  10           HB1      PRO  10  -4.614   5.451   1.992
   57    HG2  PRO  10           HG2      PRO  10  -2.783   5.460   0.053
   58    HG3  PRO  10           HG1      PRO  10  -3.732   6.913   0.424
   59    HD2  PRO  10           HD2      PRO  10  -0.906   6.274   1.130
   60    HD3  PRO  10           HD1      PRO  10  -1.614   7.805   0.648
   61    HA   PRO  11           HA       PRO  11  -2.235   5.309   7.173
   62    HB2  PRO  11           HB2      PRO  11  -5.118   4.856   7.714
   63    HB3  PRO  11           HB1      PRO  11  -3.897   5.655   8.709
   64    HG2  PRO  11           HG2      PRO  11  -5.759   7.065   7.420
   65    HG3  PRO  11           HG1      PRO  11  -4.097   7.661   7.574
   66    HD2  PRO  11           HD2      PRO  11  -5.458   6.427   5.220
   67    HD3  PRO  11           HD1      PRO  11  -4.283   7.757   5.278
   68    H    ASP  12           H        ASP  12  -2.814   3.256   8.465
   69    HA   ASP  12           HA       ASP  12  -2.015   1.080   7.055
   70    HB2  ASP  12           HB2      ASP  12  -3.724   1.160   9.539
   71    HB3  ASP  12           HB1      ASP  12  -2.997  -0.314   8.912
   72    HA   PRO  13           HA       PRO  13  -5.726  -0.045   4.767
   73    HB2  PRO  13           HB2      PRO  13  -3.996  -1.884   3.338
   74    HB3  PRO  13           HB1      PRO  13  -4.815  -0.444   2.730
   75    HG2  PRO  13           HG2      PRO  13  -2.112  -0.621   3.011
   76    HG3  PRO  13           HG1      PRO  13  -3.006   0.906   3.121
   77    HD2  PRO  13           HD2      PRO  13  -1.951  -0.836   5.319
   78    HD3  PRO  13           HD1      PRO  13  -1.945   0.935   5.180
   79    H    THR  14           H        THR  14  -7.021  -1.367   5.858
   80    HA   THR  14           HA       THR  14  -5.990  -3.980   6.734
   81    HB   THR  14           HB       THR  14  -8.624  -2.781   7.559
   82    HG1  THR  14           HG1      THR  14  -6.020  -2.111   8.360
   83   HG21  THR  14          HG21      THR  14  -6.746  -4.740   8.893
   84   HG22  THR  14          HG22      THR  14  -8.241  -5.155   8.057
   85   HG23  THR  14          HG23      THR  14  -8.293  -4.197   9.537
   86    H    VAL  15           H        VAL  15  -6.963  -5.860   5.979
   87    HA   VAL  15           HA       VAL  15  -8.589  -5.407   3.626
   88    HB   VAL  15           HB       VAL  15  -7.733  -7.302   2.685
   89   HG11  VAL  15          HG11      VAL  15  -5.956  -5.683   2.971
   90   HG12  VAL  15          HG12      VAL  15  -5.311  -7.321   3.068
   91   HG13  VAL  15          HG13      VAL  15  -5.550  -6.379   4.539
   92   HG21  VAL  15          HG21      VAL  15  -6.945  -8.333   5.390
   93   HG22  VAL  15          HG22      VAL  15  -6.748  -9.174   3.849
   94   HG23  VAL  15          HG23      VAL  15  -8.364  -8.831   4.473
   95    H    ASP  16           H        ASP  16 -10.489  -6.433   3.210
   96    HA   ASP  16           HA       ASP  16 -11.741  -7.818   5.491
   97    HB2  ASP  16           HB2      ASP  16 -12.969  -5.757   3.652
   98    HB3  ASP  16           HB1      ASP  16 -13.903  -6.769   4.746
   99    H    GLN  17           H        GLN  17 -13.644  -9.095   4.858
  100    HA   GLN  17           HA       GLN  17 -14.710 -10.695   3.662
  101    HB2  GLN  17           HB2      GLN  17 -14.076  -8.923   1.306
  102    HB3  GLN  17           HB1      GLN  17 -15.343 -10.114   1.392
  103    HG2  GLN  17           HG2      GLN  17 -15.164  -7.577   2.989
  104    HG3  GLN  17           HG1      GLN  17 -16.268  -7.913   1.658
  105   HE21  GLN  17          HE21      GLN  17 -16.824  -7.152   4.413
  106   HE22  GLN  17          HE22      GLN  17 -17.823  -8.404   5.070
  107    H    VAL  18           H        VAL  18 -12.887 -12.118   4.168
  108    HA   VAL  18           HA       VAL  18 -10.994 -12.638   2.035
  109    HB   VAL  18           HB       VAL  18 -11.400 -14.116   4.644
  110   HG11  VAL  18          HG11      VAL  18  -9.158 -15.007   4.248
  111   HG12  VAL  18          HG12      VAL  18  -9.097 -14.172   2.696
  112   HG13  VAL  18          HG13      VAL  18 -10.265 -15.466   2.954
  113   HG21  VAL  18          HG21      VAL  18  -9.454 -12.855   5.434
  114   HG22  VAL  18          HG22      VAL  18 -10.793 -11.785   5.015
  115   HG23  VAL  18          HG23      VAL  18  -9.424 -11.955   3.917
  116    H    ASP  19           H        ASP  19 -11.340 -13.992   0.434
  117    HA   ASP  19           HA       ASP  19 -13.602 -15.854   0.553
  118    HB2  ASP  19           HB2      ASP  19 -11.866 -15.067  -1.803
  119    HB3  ASP  19           HB1      ASP  19 -13.319 -16.055  -1.875
  120    H    ASP  20           H        ASP  20 -12.708 -17.667  -1.387
  121    HA   ASP  20           HA       ASP  20 -11.209 -19.528   0.062
  122    HB2  ASP  20           HB2      ASP  20 -12.592 -20.258  -1.778
  123    HB3  ASP  20           HB1      ASP  20 -11.670 -19.283  -2.918
  124    H    THR  21           H        THR  21 -10.206 -17.359  -2.569
  125    HA   THR  21           HA       THR  21  -7.492 -17.377  -1.503
  126    HB   THR  21           HB       THR  21  -6.803 -17.559  -4.074
  127    HG1  THR  21           HG1      THR  21  -9.078 -19.280  -3.874
  128   HG21  THR  21          HG21      THR  21  -7.381 -19.910  -2.269
  129   HG22  THR  21          HG22      THR  21  -5.894 -18.961  -2.315
  130   HG23  THR  21          HG23      THR  21  -6.348 -19.958  -3.697
  131    H    SER  22           H        SER  22  -9.480 -15.324  -1.495
  132    HA   SER  22           HA       SER  22  -7.918 -13.263  -2.774
  133    HB2  SER  22           HB2      SER  22  -9.998 -12.253  -3.847
  134    HB3  SER  22           HB1      SER  22  -9.334 -13.686  -4.629
  135    HG   SER  22           HG       SER  22 -11.625 -13.492  -2.958
  136    H    ILE  23           H        ILE  23  -8.376 -11.155  -2.020
  137    HA   ILE  23           HA       ILE  23 -10.181 -10.954   0.303
  138    HB   ILE  23           HB       ILE  23  -8.542  -9.702   1.576
  139   HG12  ILE  23          HG12      ILE  23  -6.528 -10.251  -0.601
  140   HG13  ILE  23          HG11      ILE  23  -7.463  -8.763  -0.539
  141   HG21  ILE  23          HG21      ILE  23  -7.276 -12.237   0.543
  142   HG22  ILE  23          HG22      ILE  23  -8.494 -12.143   1.816
  143   HG23  ILE  23          HG23      ILE  23  -6.900 -11.429   2.066
  144   HD11  ILE  23          HD11      ILE  23  -5.217  -9.672   1.149
  145   HD12  ILE  23          HD12      ILE  23  -6.481  -8.722   1.928
  146   HD13  ILE  23          HD13      ILE  23  -5.610  -8.058   0.537
  147    H    VAL  24           H        VAL  24 -10.646  -8.656   0.851
  148    HA   VAL  24           HA       VAL  24 -10.187  -6.835  -1.426
  149    HB   VAL  24           HB       VAL  24 -12.316  -6.579   0.712
  150   HG11  VAL  24          HG11      VAL  24 -13.266  -4.880  -0.778
  151   HG12  VAL  24          HG12      VAL  24 -11.901  -5.084  -1.875
  152   HG13  VAL  24          HG13      VAL  24 -11.638  -4.451  -0.250
  153   HG21  VAL  24          HG21      VAL  24 -12.761  -8.529  -0.679
  154   HG22  VAL  24          HG22      VAL  24 -12.592  -7.545  -2.132
  155   HG23  VAL  24          HG23      VAL  24 -13.921  -7.243  -1.011
  156    H    VAL  25           H        VAL  25  -8.399  -5.694  -0.951
  157    HA   VAL  25           HA       VAL  25  -7.865  -4.956   1.816
  158    HB   VAL  25           HB       VAL  25  -5.912  -5.769   0.812
  159   HG11  VAL  25          HG11      VAL  25  -5.031  -4.847  -1.347
  160   HG12  VAL  25          HG12      VAL  25  -6.609  -4.086  -1.572
  161   HG13  VAL  25          HG13      VAL  25  -6.481  -5.844  -1.460
  162   HG21  VAL  25          HG21      VAL  25  -4.371  -3.870   0.688
  163   HG22  VAL  25          HG22      VAL  25  -5.472  -3.735   2.059
  164   HG23  VAL  25          HG23      VAL  25  -5.745  -2.766   0.611
  165    H    ARG  26           H        ARG  26  -8.268  -3.045   2.639
  166    HA   ARG  26           HA       ARG  26  -9.118  -0.893   0.814
  167    HB2  ARG  26           HB2      ARG  26 -10.302  -1.582   3.509
  168    HB3  ARG  26           HB1      ARG  26 -10.857  -0.320   2.419
  169    HG2  ARG  26           HG2      ARG  26 -11.632  -1.913   0.837
  170    HG3  ARG  26           HG1      ARG  26 -10.848  -3.238   1.698
  171    HD2  ARG  26           HD2      ARG  26 -13.215  -3.262   2.155
  172    HD3  ARG  26           HD1      ARG  26 -12.333  -2.834   3.618
  173    HE   ARG  26           HE       ARG  26 -13.300  -0.596   2.054
  174   HH11  ARG  26          HH11      ARG  26 -13.845  -2.775   4.747
  175   HH12  ARG  26          HH12      ARG  26 -15.094  -1.790   5.449
  176   HH21  ARG  26          HH21      ARG  26 -14.929   0.709   2.992
  177   HH22  ARG  26          HH22      ARG  26 -15.697   0.200   4.462
  178    H    TRP  27           H        TRP  27  -8.157   1.017   1.129
  179    HA   TRP  27           HA       TRP  27  -6.631   1.391   3.609
  180    HB2  TRP  27           HB2      TRP  27  -5.436   3.197   2.167
  181    HB3  TRP  27           HB1      TRP  27  -5.031   1.504   1.928
  182    HD1  TRP  27           HD1      TRP  27  -6.815   4.427   0.205
  183    HE1  TRP  27           HE1      TRP  27  -7.093   3.855  -2.295
  184    HE3  TRP  27           HE3      TRP  27  -5.224  -0.432   0.301
  185    HZ2  TRP  27           HZ2      TRP  27  -6.683   1.641  -3.990
  186    HZ3  TRP  27           HZ3      TRP  27  -5.197  -1.705  -1.802
  187    HH2  TRP  27           HH2      TRP  27  -5.911  -0.689  -3.903
  188    H    SER  28           H        SER  28  -6.747   3.315   4.714
  189    HA   SER  28           HA       SER  28  -9.276   4.679   4.502
  190    HB2  SER  28           HB2      SER  28  -6.969   5.240   6.382
  191    HB3  SER  28           HB1      SER  28  -8.655   5.713   6.595
  192    HG   SER  28           HG       SER  28  -7.609   3.608   7.574
  193    H    ARG  29           H        ARG  29  -9.422   7.053   4.466
  194    HA   ARG  29           HA       ARG  29  -7.631   8.121   2.454
  195    HB2  ARG  29           HB2      ARG  29 -10.078   9.320   3.762
  196    HB3  ARG  29           HB1      ARG  29  -9.175  10.063   2.452
  197    HG2  ARG  29           HG2      ARG  29 -10.738   7.495   2.352
  198    HG3  ARG  29           HG1      ARG  29 -11.130   9.020   1.554
  199    HD2  ARG  29           HD2      ARG  29  -8.778   7.223   0.984
  200    HD3  ARG  29           HD1      ARG  29 -10.178   7.492  -0.050
  201    HE   ARG  29           HE       ARG  29  -8.874   9.944   0.482
  202   HH11  ARG  29          HH11      ARG  29  -8.565   7.005  -1.395
  203   HH12  ARG  29          HH12      ARG  29  -7.522   7.724  -2.590
  204   HH21  ARG  29          HH21      ARG  29  -7.535  10.907  -1.097
  205   HH22  ARG  29          HH22      ARG  29  -6.981   9.961  -2.444
  206    HA   PRO  30           HA       PRO  30  -5.165  10.268   5.488
  207    HB2  PRO  30           HB2      PRO  30  -3.657  11.675   3.722
  208    HB3  PRO  30           HB1      PRO  30  -3.384   9.964   4.071
  209    HG2  PRO  30           HG2      PRO  30  -4.780  11.229   1.752
  210    HG3  PRO  30           HG1      PRO  30  -3.691   9.831   1.780
  211    HD2  PRO  30           HD2      PRO  30  -6.406   9.620   1.646
  212    HD3  PRO  30           HD1      PRO  30  -5.367   8.385   2.368
  213    H1   MET  31           HT1      MET  31 -14.422  30.302 -20.530
  214    H2   MET  31           HT2      MET  31 -14.691  30.335 -18.862
  215    H3   MET  31           HT3      MET  31 -14.653  28.856 -19.685
  216    HA   MET  31           HA       MET  31 -12.347  29.147 -20.219
  217    HB2  MET  31           HB2      MET  31 -11.070  30.999 -19.304
  218    HB3  MET  31           HB1      MET  31 -12.384  31.615 -20.295
  219    HG2  MET  31           HG2      MET  31 -13.686  32.054 -18.259
  220    HG3  MET  31           HG1      MET  31 -12.329  31.488 -17.288
  221    HE1  MET  31           HE1      MET  31 -13.718  34.290 -19.630
  222    HE2  MET  31           HE2      MET  31 -12.360  33.677 -20.572
  223    HE3  MET  31           HE3      MET  31 -12.293  35.299 -19.887
  224    H    ARG  32           H        ARG  32 -14.422  28.954 -17.596
  225    HA   ARG  32           HA       ARG  32 -12.274  27.962 -15.856
  226    HB2  ARG  32           HB2      ARG  32 -14.974  29.118 -15.194
  227    HB3  ARG  32           HB1      ARG  32 -14.032  28.207 -14.021
  228    HG2  ARG  32           HG2      ARG  32 -12.176  29.828 -14.340
  229    HG3  ARG  32           HG1      ARG  32 -13.247  30.778 -15.372
  230    HD2  ARG  32           HD2      ARG  32 -14.780  31.119 -13.543
  231    HD3  ARG  32           HD1      ARG  32 -13.837  30.046 -12.507
  232    HE   ARG  32           HE       ARG  32 -12.315  32.255 -13.524
  233   HH11  ARG  32          HH11      ARG  32 -14.535  31.259 -11.009
  234   HH12  ARG  32          HH12      ARG  32 -13.975  32.444  -9.873
  235   HH21  ARG  32          HH21      ARG  32 -11.583  33.819 -12.036
  236   HH22  ARG  32          HH22      ARG  32 -12.308  33.908 -10.460
  237    H    GLY  33           H        GLY  33 -12.067  25.847 -16.022
  238    HA2  GLY  33           HA2      GLY  33 -14.533  24.214 -15.988
  239    HA3  GLY  33           HA1      GLY  33 -13.053  23.714 -16.794
  240    H    SER  34           H        SER  34 -11.328  22.936 -15.582
  241    HA   SER  34           HA       SER  34 -12.022  22.109 -12.869
  242    HB2  SER  34           HB2      SER  34 -11.094  20.472 -14.579
  243    HB3  SER  34           HB1      SER  34  -9.565  21.340 -14.462
  244    HG   SER  34           HG       SER  34 -10.786  19.619 -12.662
  245    H    ASN  35           H        ASN  35 -11.818  24.106 -11.842
  246    HA   ASN  35           HA       ASN  35  -9.431  25.692 -12.203
  247    HB2  ASN  35           HB2      ASN  35 -11.718  26.119 -10.276
  248    HB3  ASN  35           HB1      ASN  35 -10.483  27.294 -10.706
  249   HD21  ASN  35          HD21      ASN  35 -13.433  25.796 -11.604
  250   HD22  ASN  35          HD22      ASN  35 -13.732  26.731 -13.023
  251    H    ALA  36           H        ALA  36 -10.957  23.908  -9.552
  252    HA   ALA  36           HA       ALA  36  -8.945  24.577  -7.651
  253    HB1  ALA  36           HB1      ALA  36 -10.998  22.371  -7.558
  254    HB2  ALA  36           HB2      ALA  36 -11.245  24.027  -7.003
  255    HB3  ALA  36           HB3      ALA  36 -10.069  22.991  -6.194
  256    HA   PRO  37           HA       PRO  37  -6.197  21.354  -9.136
  257    HB2  PRO  37           HB2      PRO  37  -3.938  22.367  -8.122
  258    HB3  PRO  37           HB1      PRO  37  -4.723  23.103  -9.526
  259    HG2  PRO  37           HG2      PRO  37  -4.719  23.981  -6.678
  260    HG3  PRO  37           HG1      PRO  37  -4.677  24.958  -8.155
  261    HD2  PRO  37           HD2      PRO  37  -6.942  24.431  -6.608
  262    HD3  PRO  37           HD1      PRO  37  -6.946  25.032  -8.276
  263    H    GLN  38           H        GLN  38  -5.195  19.602  -8.175
  264    HA   GLN  38           HA       GLN  38  -5.601  19.339  -5.277
  265    HB2  GLN  38           HB2      GLN  38  -5.279  17.214  -7.405
  266    HB3  GLN  38           HB1      GLN  38  -5.535  16.904  -5.693
  267    HG2  GLN  38           HG2      GLN  38  -7.716  17.970  -5.811
  268    HG3  GLN  38           HG1      GLN  38  -7.456  18.333  -7.516
  269   HE21  GLN  38          HE21      GLN  38  -9.235  17.168  -8.167
  270   HE22  GLN  38          HE22      GLN  38  -9.280  15.438  -8.138
  271    HA   PRO  39           HA       PRO  39  -1.159  19.865  -5.166
  272    HB2  PRO  39           HB2      PRO  39  -0.936  19.476  -2.452
  273    HB3  PRO  39           HB1      PRO  39  -1.355  21.015  -3.210
  274    HG2  PRO  39           HG2      PRO  39  -3.130  18.978  -1.944
  275    HG3  PRO  39           HG1      PRO  39  -3.232  20.746  -1.890
  276    HD2  PRO  39           HD2      PRO  39  -4.821  19.246  -3.475
  277    HD3  PRO  39           HD1      PRO  39  -4.284  20.873  -3.935
  278    H    SER  40           H        SER  40  -2.438  17.372  -2.930
  279    HA   SER  40           HA       SER  40  -0.187  15.687  -3.183
  280    HB2  SER  40           HB2      SER  40  -2.955  14.705  -2.497
  281    HB3  SER  40           HB1      SER  40  -1.404  14.130  -1.888
  282    HG   SER  40           HG       SER  40  -1.361  15.690  -0.450
  283    H    HIS  41           H        HIS  41  -3.496  15.179  -4.332
  284    HA   HIS  41           HA       HIS  41  -4.373  13.928  -6.010
  285    HB2  HIS  41           HB2      HIS  41  -3.614  16.017  -7.150
  286    HB3  HIS  41           HB1      HIS  41  -2.134  15.182  -7.601
  287    HD1  HIS  41           HD1      HIS  41  -2.214  13.712  -9.648
  288    HD2  HIS  41           HD2      HIS  41  -5.977  14.957  -8.407
  289    HE1  HIS  41           HE1      HIS  41  -3.794  12.994 -11.464
  290    HE2  HIS  41           HE2      HIS  41  -6.082  13.595 -10.599
  291    H    ILE  42           H        ILE  42  -3.638  11.937  -4.945
  292    HA   ILE  42           HA       ILE  42  -1.324  10.591  -5.905
  293    HB   ILE  42           HB       ILE  42  -3.810   9.450  -4.608
  294   HG12  ILE  42          HG12      ILE  42  -2.124   9.087  -2.696
  295   HG13  ILE  42          HG11      ILE  42  -1.086  10.220  -3.552
  296   HG21  ILE  42          HG21      ILE  42  -1.179   8.119  -5.239
  297   HG22  ILE  42          HG22      ILE  42  -2.738   7.768  -5.985
  298   HG23  ILE  42          HG23      ILE  42  -2.477   7.410  -4.278
  299   HD11  ILE  42          HD11      ILE  42  -2.328  11.298  -1.761
  300   HD12  ILE  42          HD12      ILE  42  -3.849  10.811  -2.513
  301   HD13  ILE  42          HD13      ILE  42  -2.781  11.948  -3.336
  302    H    SER  43           H        SER  43  -1.028   9.825  -7.855
  303    HA   SER  43           HA       SER  43  -3.200   9.856  -9.745
  304    HB2  SER  43           HB2      SER  43  -0.897  10.713 -10.238
  305    HB3  SER  43           HB1      SER  43  -0.314   9.051 -10.174
  306    HG   SER  43           HG       SER  43  -0.988  10.078 -12.304
  307    H    LYS  44           H        LYS  44  -1.295   7.466  -8.037
  308    HA   LYS  44           HA       LYS  44  -3.156   5.398  -8.718
  309    HB2  LYS  44           HB2      LYS  44  -1.516   3.890  -9.775
  310    HB3  LYS  44           HB1      LYS  44  -1.799   5.332 -10.739
  311    HG2  LYS  44           HG2      LYS  44   0.279   6.307  -9.868
  312    HG3  LYS  44           HG1      LYS  44   0.566   4.830  -8.944
  313    HD2  LYS  44           HD2      LYS  44   0.684   3.540 -10.996
  314    HD3  LYS  44           HD1      LYS  44   0.314   4.982 -11.946
  315    HE2  LYS  44           HE2      LYS  44   2.377   6.033 -11.113
  316    HE3  LYS  44           HE1      LYS  44   2.751   4.560 -10.219
  317    HZ1  LYS  44           HZ1      LYS  44   3.938   4.656 -12.317
  318    HZ2  LYS  44           HZ2      LYS  44   2.480   4.764 -13.168
  319    HZ3  LYS  44           HZ3      LYS  44   2.854   3.358 -12.304
  320    H    TYR  45           H        TYR  45  -2.956   3.576  -7.429
  321    HA   TYR  45           HA       TYR  45  -0.967   3.753  -5.252
  322    HB2  TYR  45           HB2      TYR  45  -3.527   2.138  -5.227
  323    HB3  TYR  45           HB1      TYR  45  -2.480   2.511  -3.868
  324    HD1  TYR  45           HD1      TYR  45  -5.257   3.593  -5.885
  325    HD2  TYR  45           HD2      TYR  45  -2.430   4.852  -2.969
  326    HE1  TYR  45           HE1      TYR  45  -6.671   5.529  -5.360
  327    HE2  TYR  45           HE2      TYR  45  -3.840   6.795  -2.432
  328    HH   TYR  45           HH       TYR  45  -5.603   8.172  -3.658
  329    H    ILE  46           H        ILE  46   0.589   2.227  -5.287
  330    HA   ILE  46           HA       ILE  46   0.190  -0.101  -7.025
  331    HB   ILE  46           HB       ILE  46   2.725   1.012  -5.808
  332   HG12  ILE  46          HG12      ILE  46   3.328   1.188  -8.299
  333   HG13  ILE  46          HG11      ILE  46   1.614   0.952  -8.610
  334   HG21  ILE  46          HG21      ILE  46   2.835  -1.415  -5.863
  335   HG22  ILE  46          HG22      ILE  46   3.920  -0.716  -7.065
  336   HG23  ILE  46          HG23      ILE  46   2.379  -1.411  -7.566
  337   HD11  ILE  46          HD11      ILE  46   1.115   2.962  -7.306
  338   HD12  ILE  46          HD12      ILE  46   2.183   3.296  -8.669
  339   HD13  ILE  46          HD13      ILE  46   2.842   3.200  -7.035
  340    H    LEU  47           H        LEU  47  -0.427  -1.919  -6.141
  341    HA   LEU  47           HA       LEU  47   0.018  -2.368  -3.270
  342    HB2  LEU  47           HB2      LEU  47  -2.299  -2.495  -4.523
  343    HB3  LEU  47           HB1      LEU  47  -1.729  -4.070  -5.026
  344    HG   LEU  47           HG       LEU  47  -3.190  -4.316  -3.135
  345   HD11  LEU  47          HD11      LEU  47  -1.428  -5.908  -3.167
  346   HD12  LEU  47          HD12      LEU  47  -1.688  -5.417  -1.496
  347   HD13  LEU  47          HD13      LEU  47  -0.314  -4.780  -2.400
  348   HD21  LEU  47          HD21      LEU  47  -1.344  -2.445  -1.668
  349   HD22  LEU  47          HD22      LEU  47  -2.691  -3.333  -0.954
  350   HD23  LEU  47          HD23      LEU  47  -2.997  -2.104  -2.180
  351    H    ARG  48           H        ARG  48   1.797  -3.538  -2.858
  352    HA   ARG  48           HA       ARG  48   2.444  -5.764  -4.689
  353    HB2  ARG  48           HB2      ARG  48   4.308  -4.225  -2.874
  354    HB3  ARG  48           HB1      ARG  48   4.764  -5.611  -3.841
  355    HG2  ARG  48           HG2      ARG  48   4.360  -4.377  -5.855
  356    HG3  ARG  48           HG1      ARG  48   3.743  -3.009  -4.928
  357    HD2  ARG  48           HD2      ARG  48   5.910  -2.734  -3.860
  358    HD3  ARG  48           HD1      ARG  48   6.537  -4.127  -4.742
  359    HE   ARG  48           HE       ARG  48   5.908  -2.705  -6.782
  360   HH11  ARG  48          HH11      ARG  48   7.153  -1.465  -3.753
  361   HH12  ARG  48          HH12      ARG  48   7.889  -0.071  -4.479
  362   HH21  ARG  48          HH21      ARG  48   6.889  -0.868  -7.740
  363   HH22  ARG  48          HH22      ARG  48   7.743   0.264  -6.741
  364    H    TRP  49           H        TRP  49   2.397  -7.778  -3.860
  365    HA   TRP  49           HA       TRP  49   2.598  -8.054  -0.954
  366    HB2  TRP  49           HB2      TRP  49   0.782  -9.666  -0.873
  367    HB3  TRP  49           HB1      TRP  49   0.208  -8.134  -1.511
  368    HD1  TRP  49           HD1      TRP  49   0.441 -11.787  -2.320
  369    HE1  TRP  49           HE1      TRP  49  -0.690 -12.244  -4.585
  370    HE3  TRP  49           HE3      TRP  49  -0.103  -6.974  -3.937
  371    HZ2  TRP  49           HZ2      TRP  49  -1.679 -10.754  -6.775
  372    HZ3  TRP  49           HZ3      TRP  49  -1.153  -6.573  -6.124
  373    HH2  TRP  49           HH2      TRP  49  -1.922  -8.424  -7.513
  374    H    ARG  50           H        ARG  50   3.439  -9.974  -0.199
  375    HA   ARG  50           HA       ARG  50   4.472 -11.917  -2.116
  376    HB2  ARG  50           HB2      ARG  50   6.220 -10.181  -1.984
  377    HB3  ARG  50           HB1      ARG  50   6.246 -10.337  -0.234
  378    HG2  ARG  50           HG2      ARG  50   6.926 -12.735  -0.566
  379    HG3  ARG  50           HG1      ARG  50   7.133 -12.355  -2.277
  380    HD2  ARG  50           HD2      ARG  50   9.263 -12.192  -1.159
  381    HD3  ARG  50           HD1      ARG  50   8.737 -10.582  -1.651
  382    HE   ARG  50           HE       ARG  50   7.842 -10.716   0.878
  383   HH11  ARG  50          HH11      ARG  50  10.966 -11.399  -0.538
  384   HH12  ARG  50          HH12      ARG  50  11.848 -10.996   0.900
  385   HH21  ARG  50          HH21      ARG  50   8.997 -10.139   2.768
  386   HH22  ARG  50          HH22      ARG  50  10.733 -10.276   2.770
  387    HA   PRO  51           HA       PRO  51   3.512 -14.707   1.289
  388    HB2  PRO  51           HB2      PRO  51   5.474 -16.577   0.580
  389    HB3  PRO  51           HB1      PRO  51   3.795 -16.580   0.034
  390    HG2  PRO  51           HG2      PRO  51   6.237 -15.590  -1.352
  391    HG3  PRO  51           HG1      PRO  51   4.796 -16.370  -2.029
  392    HD2  PRO  51           HD2      PRO  51   5.211 -13.729  -2.261
  393    HD3  PRO  51           HD1      PRO  51   3.581 -14.397  -2.033
  394    H    LYS  52           H        LYS  52   4.203 -14.266   3.263
  395    HA   LYS  52           HA       LYS  52   6.529 -12.796   3.763
  396    HB2  LYS  52           HB2      LYS  52   4.616 -12.523   5.147
  397    HB3  LYS  52           HB1      LYS  52   4.589 -14.221   5.568
  398    HG2  LYS  52           HG2      LYS  52   5.343 -12.926   7.424
  399    HG3  LYS  52           HG1      LYS  52   6.663 -13.929   6.828
  400    HD2  LYS  52           HD2      LYS  52   7.685 -12.054   5.756
  401    HD3  LYS  52           HD1      LYS  52   6.287 -11.035   6.107
  402    HE2  LYS  52           HE2      LYS  52   6.722 -11.346   8.518
  403    HE3  LYS  52           HE1      LYS  52   8.177 -12.251   8.109
  404    HZ1  LYS  52           HZ1      LYS  52   9.125 -10.328   7.115
  405    HZ2  LYS  52           HZ2      LYS  52   8.557  -9.871   8.640
  406    HZ3  LYS  52           HZ3      LYS  52   7.682  -9.454   7.253
  407    H    ASN  53           H        ASN  53   6.001 -16.251   3.820
  408    HA   ASN  53           HA       ASN  53   8.396 -16.754   5.370
  409    HB2  ASN  53           HB2      ASN  53   7.743 -18.963   5.460
  410    HB3  ASN  53           HB1      ASN  53   6.184 -18.196   5.206
  411   HD21  ASN  53          HD21      ASN  53   5.168 -18.408   3.180
  412   HD22  ASN  53          HD22      ASN  53   5.665 -19.607   2.037
  413    H    SER  54           H        SER  54   7.870 -15.849   2.244
  414    HA   SER  54           HA       SER  54  10.166 -17.398   1.247
  415    HB2  SER  54           HB2      SER  54   7.774 -16.483  -0.356
  416    HB3  SER  54           HB1      SER  54   9.115 -17.468  -0.940
  417    HG   SER  54           HG       SER  54   8.188 -18.700   1.179
  418    H    VAL  55           H        VAL  55  11.732 -16.313   0.152
  419    HA   VAL  55           HA       VAL  55  11.579 -13.416   0.088
  420    HB   VAL  55           HB       VAL  55  13.571 -14.631   0.997
  421   HG11  VAL  55          HG11      VAL  55  13.990 -15.392  -1.884
  422   HG12  VAL  55          HG12      VAL  55  13.687 -16.480  -0.532
  423   HG13  VAL  55          HG13      VAL  55  15.192 -15.565  -0.607
  424   HG21  VAL  55          HG21      VAL  55  15.230 -13.181  -0.014
  425   HG22  VAL  55          HG22      VAL  55  13.719 -12.311   0.254
  426   HG23  VAL  55          HG23      VAL  55  14.144 -12.859  -1.364
  427    H    GLY  56           H        GLY  56   9.918 -14.943  -1.680
  428    HA2  GLY  56           HA2      GLY  56  11.085 -15.086  -4.287
  429    HA3  GLY  56           HA1      GLY  56   9.388 -15.297  -3.893
  430    H    ARG  57           H        ARG  57   9.256 -14.110  -5.985
  431    HA   ARG  57           HA       ARG  57   9.994 -11.342  -6.047
  432    HB2  ARG  57           HB2      ARG  57   8.244 -12.973  -7.891
  433    HB3  ARG  57           HB1      ARG  57   8.779 -11.329  -8.206
  434    HG2  ARG  57           HG2      ARG  57  11.082 -12.049  -8.276
  435    HG3  ARG  57           HG1      ARG  57  10.606 -13.691  -7.842
  436    HD2  ARG  57           HD2      ARG  57   9.854 -12.207 -10.351
  437    HD3  ARG  57           HD1      ARG  57  11.008 -13.533 -10.225
  438    HE   ARG  57           HE       ARG  57   8.147 -13.868  -9.595
  439   HH11  ARG  57          HH11      ARG  57  11.066 -14.956 -11.200
  440   HH12  ARG  57          HH12      ARG  57  10.324 -16.388 -11.840
  441   HH21  ARG  57          HH21      ARG  57   7.186 -15.747 -10.401
  442   HH22  ARG  57          HH22      ARG  57   8.113 -16.846 -11.371
  443    H    TRP  58           H        TRP  58   8.704  -9.564  -5.852
  444    HA   TRP  58           HA       TRP  58   6.260  -9.854  -4.364
  445    HB2  TRP  58           HB2      TRP  58   7.718  -7.442  -5.457
  446    HB3  TRP  58           HB1      TRP  58   6.200  -7.328  -4.573
  447    HD1  TRP  58           HD1      TRP  58   9.874  -8.374  -4.037
  448    HE1  TRP  58           HE1      TRP  58  10.412  -8.148  -1.531
  449    HE3  TRP  58           HE3      TRP  58   5.206  -7.218  -2.303
  450    HZ2  TRP  58           HZ2      TRP  58   9.041  -7.557   0.864
  451    HZ3  TRP  58           HZ3      TRP  58   4.904  -6.836   0.109
  452    HH2  TRP  58           HH2      TRP  58   6.783  -7.004   1.659
  453    H    LYS  59           H        LYS  59   4.240  -9.760  -5.112
  454    HA   LYS  59           HA       LYS  59   3.840  -9.531  -7.987
  455    HB2  LYS  59           HB2      LYS  59   1.860 -10.178  -5.791
  456    HB3  LYS  59           HB1      LYS  59   1.582 -10.326  -7.522
  457    HG2  LYS  59           HG2      LYS  59   3.215 -12.081  -7.692
  458    HG3  LYS  59           HG1      LYS  59   3.674 -11.870  -6.004
  459    HD2  LYS  59           HD2      LYS  59   2.226 -13.805  -6.252
  460    HD3  LYS  59           HD1      LYS  59   1.414 -12.547  -5.319
  461    HE2  LYS  59           HE2      LYS  59  -0.092 -13.576  -6.940
  462    HE3  LYS  59           HE1      LYS  59   0.166 -11.869  -7.289
  463    HZ1  LYS  59           HZ1      LYS  59   1.518 -14.129  -8.661
  464    HZ2  LYS  59           HZ2      LYS  59   1.738 -12.490  -9.008
  465    HZ3  LYS  59           HZ3      LYS  59   0.240 -13.219  -9.292
  466    H    GLU  60           H        GLU  60   2.935  -7.783  -8.950
  467    HA   GLU  60           HA       GLU  60   2.343  -5.529  -7.143
  468    HB2  GLU  60           HB2      GLU  60   3.416  -5.309  -9.952
  469    HB3  GLU  60           HB1      GLU  60   3.302  -4.037  -8.747
  470    HG2  GLU  60           HG2      GLU  60   4.957  -5.295  -7.373
  471    HG3  GLU  60           HG1      GLU  60   5.145  -6.409  -8.723
  472    H    ALA  61           H        ALA  61   0.463  -4.535  -7.320
  473    HA   ALA  61           HA       ALA  61  -1.034  -4.755  -9.851
  474    HB1  ALA  61           HB1      ALA  61  -2.203  -4.682  -7.068
  475    HB2  ALA  61           HB2      ALA  61  -2.121  -6.101  -8.111
  476    HB3  ALA  61           HB3      ALA  61  -3.117  -4.722  -8.576
  477    H    THR  62           H        THR  62  -2.145  -2.867 -10.494
  478    HA   THR  62           HA       THR  62  -1.314  -0.443  -9.037
  479    HB   THR  62           HB       THR  62  -1.718  -0.691 -12.023
  480    HG1  THR  62           HG1      THR  62   0.401  -1.295 -10.411
  481   HG21  THR  62          HG21      THR  62  -0.645   1.508 -12.107
  482   HG22  THR  62          HG22      THR  62  -0.539   1.532 -10.347
  483   HG23  THR  62          HG23      THR  62  -2.117   1.565 -11.136
  484    H    ILE  63           H        ILE  63  -2.917   0.687  -8.227
  485    HA   ILE  63           HA       ILE  63  -5.627   0.327  -9.330
  486    HB   ILE  63           HB       ILE  63  -4.786   1.190  -6.551
  487   HG12  ILE  63          HG12      ILE  63  -6.109  -0.991  -5.998
  488   HG13  ILE  63          HG11      ILE  63  -5.772  -1.415  -7.670
  489   HG21  ILE  63          HG21      ILE  63  -7.548   0.694  -7.643
  490   HG22  ILE  63          HG22      ILE  63  -6.859   2.270  -7.252
  491   HG23  ILE  63          HG23      ILE  63  -7.150   1.091  -5.972
  492   HD11  ILE  63          HD11      ILE  63  -3.725  -0.813  -5.549
  493   HD12  ILE  63          HD12      ILE  63  -3.376  -1.221  -7.229
  494   HD13  ILE  63          HD13      ILE  63  -4.149  -2.407  -6.176
  495    HA   PRO  64           HA       PRO  64  -5.531   4.586 -10.772
  496    HB2  PRO  64           HB2      PRO  64  -8.432   4.322 -10.107
  497    HB3  PRO  64           HB1      PRO  64  -7.667   4.938 -11.578
  498    HG2  PRO  64           HG2      PRO  64  -8.754   2.509 -11.530
  499    HG3  PRO  64           HG1      PRO  64  -7.244   2.812 -12.406
  500    HD2  PRO  64           HD2      PRO  64  -7.683   1.435  -9.804
  501    HD3  PRO  64           HD1      PRO  64  -6.469   1.122 -11.059
  502    H    GLY  65           H        GLY  65  -5.445   6.553  -9.774
  503    HA2  GLY  65           HA2      GLY  65  -5.315   6.492  -6.919
  504    HA3  GLY  65           HA1      GLY  65  -4.962   7.866  -7.951
  505    H    HIS  66           H        HIS  66  -7.949   6.004  -7.534
  506    HA   HIS  66           HA       HIS  66  -9.145   8.064  -5.932
  507    HB2  HIS  66           HB2      HIS  66 -11.053   8.490  -7.464
  508    HB3  HIS  66           HB1      HIS  66  -9.524   9.095  -8.082
  509    HD1  HIS  66           HD1      HIS  66  -8.979   8.471 -10.414
  510    HD2  HIS  66           HD2      HIS  66 -11.829   5.945  -8.753
  511    HE1  HIS  66           HE1      HIS  66  -9.750   6.991 -12.293
  512    HE2  HIS  66           HE2      HIS  66 -11.360   5.374 -11.228
  513    H    LEU  67           H        LEU  67  -8.533   5.094  -6.158
  514    HA   LEU  67           HA       LEU  67 -11.207   4.173  -5.331
  515    HB2  LEU  67           HB2      LEU  67  -8.925   2.495  -6.391
  516    HB3  LEU  67           HB1      LEU  67 -10.492   1.894  -5.889
  517    HG   LEU  67           HG       LEU  67  -9.922   3.647  -8.279
  518   HD11  LEU  67          HD11      LEU  67 -10.670   1.730  -9.564
  519   HD12  LEU  67          HD12      LEU  67 -10.905   0.809  -8.078
  520   HD13  LEU  67          HD13      LEU  67  -9.285   1.311  -8.557
  521   HD21  LEU  67          HD21      LEU  67 -12.544   2.583  -7.236
  522   HD22  LEU  67          HD22      LEU  67 -12.310   3.373  -8.796
  523   HD23  LEU  67          HD23      LEU  67 -12.050   4.274  -7.304
  524    H    ASN  68           H        ASN  68 -11.258   2.791  -3.457
  525    HA   ASN  68           HA       ASN  68  -8.893   3.169  -1.733
  526    HB2  ASN  68           HB2      ASN  68 -11.804   3.270  -0.920
  527    HB3  ASN  68           HB1      ASN  68 -10.439   3.361   0.186
  528   HD21  ASN  68          HD21      ASN  68 -12.565   5.263  -0.269
  529   HD22  ASN  68          HD22      ASN  68 -11.806   6.739  -0.751
  530    H    SER  69           H        SER  69 -10.088   0.859  -3.415
  531    HA   SER  69           HA       SER  69  -9.513  -1.181  -1.466
  532    HB2  SER  69           HB2      SER  69 -11.718  -2.372  -1.964
  533    HB3  SER  69           HB1      SER  69 -11.809  -0.961  -0.909
  534    HG   SER  69           HG       SER  69 -12.415  -1.061  -3.687
  535    H    TYR  70           H        TYR  70  -8.825  -3.065  -2.375
  536    HA   TYR  70           HA       TYR  70  -9.250  -3.475  -5.246
  537    HB2  TYR  70           HB2      TYR  70  -7.034  -2.438  -5.030
  538    HB3  TYR  70           HB1      TYR  70  -6.559  -3.666  -3.862
  539    HD1  TYR  70           HD1      TYR  70  -7.652  -3.247  -7.401
  540    HD2  TYR  70           HD2      TYR  70  -5.545  -5.642  -4.587
  541    HE1  TYR  70           HE1      TYR  70  -6.839  -4.670  -9.233
  542    HE2  TYR  70           HE2      TYR  70  -4.720  -7.070  -6.412
  543    HH   TYR  70           HH       TYR  70  -5.348  -7.687  -8.688
  544    H    THR  71           H        THR  71  -9.441  -5.614  -5.842
  545    HA   THR  71           HA       THR  71  -9.686  -7.506  -3.626
  546    HB   THR  71           HB       THR  71 -10.509  -7.886  -6.513
  547    HG1  THR  71           HG1      THR  71 -11.543  -6.102  -5.223
  548   HG21  THR  71          HG21      THR  71 -11.332  -9.322  -3.984
  549   HG22  THR  71          HG22      THR  71 -10.264  -9.964  -5.231
  550   HG23  THR  71          HG23      THR  71 -11.958  -9.640  -5.603
  551    H    ILE  72           H        ILE  72  -7.682  -8.283  -3.174
  552    HA   ILE  72           HA       ILE  72  -5.806  -8.973  -5.260
  553    HB   ILE  72           HB       ILE  72  -5.671  -9.547  -2.294
  554   HG12  ILE  72          HG12      ILE  72  -4.353  -7.362  -3.919
  555   HG13  ILE  72          HG11      ILE  72  -5.694  -7.135  -2.801
  556   HG21  ILE  72          HG21      ILE  72  -3.536  -9.708  -4.414
  557   HG22  ILE  72          HG22      ILE  72  -4.294 -11.073  -3.595
  558   HG23  ILE  72          HG23      ILE  72  -3.289  -9.945  -2.685
  559   HD11  ILE  72          HD11      ILE  72  -4.237  -7.933  -0.970
  560   HD12  ILE  72          HD12      ILE  72  -3.654  -6.459  -1.743
  561   HD13  ILE  72          HD13      ILE  72  -2.900  -8.011  -2.117
  562    H    LYS  73           H        LYS  73  -5.832 -10.826  -6.327
  563    HA   LYS  73           HA       LYS  73  -7.189 -13.127  -5.098
  564    HB2  LYS  73           HB2      LYS  73  -6.674 -12.559  -8.025
  565    HB3  LYS  73           HB1      LYS  73  -7.554 -13.939  -7.380
  566    HG2  LYS  73           HG2      LYS  73  -9.313 -12.530  -6.577
  567    HG3  LYS  73           HG1      LYS  73  -8.397 -11.077  -6.985
  568    HD2  LYS  73           HD2      LYS  73  -8.484 -11.756  -9.368
  569    HD3  LYS  73           HD1      LYS  73  -9.511 -13.116  -8.908
  570    HE2  LYS  73           HE2      LYS  73 -11.210 -11.609  -8.090
  571    HE3  LYS  73           HE1      LYS  73 -10.166 -10.219  -8.384
  572    HZ1  LYS  73           HZ1      LYS  73 -11.770 -10.430 -10.143
  573    HZ2  LYS  73           HZ2      LYS  73 -11.307 -12.027 -10.443
  574    HZ3  LYS  73           HZ3      LYS  73 -10.232 -10.763 -10.763
  575    H    GLY  74           H        GLY  74  -6.081 -14.958  -4.752
  576    HA2  GLY  74           HA2      GLY  74  -4.333 -16.507  -5.487
  577    HA3  GLY  74           HA1      GLY  74  -3.334 -15.102  -5.826
  578    H    LEU  75           H        LEU  75  -5.232 -15.006  -2.951
  579    HA   LEU  75           HA       LEU  75  -2.803 -15.473  -1.361
  580    HB2  LEU  75           HB2      LEU  75  -5.351 -14.041  -0.608
  581    HB3  LEU  75           HB1      LEU  75  -3.978 -14.275   0.454
  582    HG   LEU  75           HG       LEU  75  -4.092 -12.573  -2.030
  583   HD11  LEU  75          HD11      LEU  75  -3.610 -10.766  -0.482
  584   HD12  LEU  75          HD12      LEU  75  -3.576 -11.908   0.862
  585   HD13  LEU  75          HD13      LEU  75  -5.080 -11.618  -0.010
  586   HD21  LEU  75          HD21      LEU  75  -1.946 -13.699  -1.977
  587   HD22  LEU  75          HD22      LEU  75  -1.725 -13.247  -0.287
  588   HD23  LEU  75          HD23      LEU  75  -1.749 -12.003  -1.537
  589    H    LYS  76           H        LYS  76  -2.759 -16.994   0.263
  590    HA   LYS  76           HA       LYS  76  -5.096 -18.761   0.430
  591    HB2  LYS  76           HB2      LYS  76  -2.262 -19.183   1.397
  592    HB3  LYS  76           HB1      LYS  76  -3.560 -20.361   1.510
  593    HG2  LYS  76           HG2      LYS  76  -3.691 -20.439  -0.937
  594    HG3  LYS  76           HG1      LYS  76  -2.361 -19.285  -1.031
  595    HD2  LYS  76           HD2      LYS  76  -0.912 -20.864   0.159
  596    HD3  LYS  76           HD1      LYS  76  -2.243 -22.018   0.240
  597    HE2  LYS  76           HE2      LYS  76  -0.805 -22.654  -1.562
  598    HE3  LYS  76           HE1      LYS  76  -2.304 -22.031  -2.245
  599    HZ1  LYS  76           HZ1      LYS  76   0.205 -20.467  -1.972
  600    HZ2  LYS  76           HZ2      LYS  76  -1.217 -19.960  -2.732
  601    HZ3  LYS  76           HZ3      LYS  76  -0.309 -21.221  -3.394
  602    HA   PRO  77           HA       PRO  77  -6.002 -16.843   4.408
  603    HB2  PRO  77           HB2      PRO  77  -7.876 -19.119   4.616
  604    HB3  PRO  77           HB1      PRO  77  -8.199 -17.385   4.715
  605    HG2  PRO  77           HG2      PRO  77  -8.930 -18.812   2.574
  606    HG3  PRO  77           HG1      PRO  77  -8.347 -17.145   2.421
  607    HD2  PRO  77           HD2      PRO  77  -6.905 -19.713   1.888
  608    HD3  PRO  77           HD1      PRO  77  -6.873 -18.190   0.976
  609    H    GLY  78           H        GLY  78  -4.650 -17.189   6.035
  610    HA2  GLY  78           HA2      GLY  78  -4.171 -18.605   7.991
  611    HA3  GLY  78           HA1      GLY  78  -4.147 -19.975   6.883
  612    H    VAL  79           H        VAL  79  -2.815 -18.271   4.845
  613    HA   VAL  79           HA       VAL  79  -0.088 -18.638   5.803
  614    HB   VAL  79           HB       VAL  79  -1.098 -17.925   3.038
  615   HG11  VAL  79          HG11      VAL  79   1.639 -18.789   3.950
  616   HG12  VAL  79          HG12      VAL  79   1.190 -17.173   3.400
  617   HG13  VAL  79          HG13      VAL  79   1.140 -18.535   2.279
  618   HG21  VAL  79          HG21      VAL  79  -1.823 -20.144   3.671
  619   HG22  VAL  79          HG22      VAL  79  -0.183 -20.559   4.172
  620   HG23  VAL  79          HG23      VAL  79  -0.532 -20.250   2.472
  621    H    VAL  80           H        VAL  80   1.262 -16.986   6.242
  622    HA   VAL  80           HA       VAL  80   0.111 -14.348   6.389
  623    HB   VAL  80           HB       VAL  80   1.390 -15.024   8.284
  624   HG11  VAL  80          HG11      VAL  80   3.867 -15.442   8.075
  625   HG12  VAL  80          HG12      VAL  80   3.600 -15.597   6.338
  626   HG13  VAL  80          HG13      VAL  80   2.810 -16.707   7.452
  627   HG21  VAL  80          HG21      VAL  80   2.925 -12.981   6.692
  628   HG22  VAL  80          HG22      VAL  80   3.085 -13.245   8.427
  629   HG23  VAL  80          HG23      VAL  80   1.555 -12.674   7.759
  630    H    TYR  81           H        TYR  81   0.425 -12.718   5.053
  631    HA   TYR  81           HA       TYR  81   2.608 -12.885   3.078
  632    HB2  TYR  81           HB2      TYR  81  -0.210 -11.863   2.649
  633    HB3  TYR  81           HB1      TYR  81   1.101 -11.666   1.495
  634    HD1  TYR  81           HD1      TYR  81   1.919 -13.569   0.209
  635    HD2  TYR  81           HD2      TYR  81  -1.297 -14.001   2.953
  636    HE1  TYR  81           HE1      TYR  81   1.330 -15.719  -0.827
  637    HE2  TYR  81           HE2      TYR  81  -1.896 -16.151   1.929
  638    HH   TYR  81           HH       TYR  81   0.130 -17.824  -0.154
  639    H    GLU  82           H        GLU  82   3.566 -10.903   2.499
  640    HA   GLU  82           HA       GLU  82   2.982  -8.660   4.306
  641    HB2  GLU  82           HB2      GLU  82   5.317  -9.070   2.429
  642    HB3  GLU  82           HB1      GLU  82   5.122  -7.723   3.538
  643    HG2  GLU  82           HG2      GLU  82   5.137  -9.432   5.397
  644    HG3  GLU  82           HG1      GLU  82   5.646 -10.603   4.179
  645    H    GLY  83           H        GLY  83   2.229  -6.750   3.544
  646    HA2  GLY  83           HA2      GLY  83   1.983  -6.466   0.619
  647    HA3  GLY  83           HA1      GLY  83   0.610  -6.162   1.677
  648    H    GLN  84           H        GLN  84   2.211  -4.425  -0.184
  649    HA   GLN  84           HA       GLN  84   2.511  -2.234   1.735
  650    HB2  GLN  84           HB2      GLN  84   4.497  -1.413   0.463
  651    HB3  GLN  84           HB1      GLN  84   4.774  -2.914   1.335
  652    HG2  GLN  84           HG2      GLN  84   4.508  -4.175  -0.725
  653    HG3  GLN  84           HG1      GLN  84   4.186  -2.682  -1.604
  654   HE21  GLN  84          HE21      GLN  84   6.594  -4.600  -0.002
  655   HE22  GLN  84          HE22      GLN  84   7.971  -3.775  -0.641
  656    H    LEU  85           H        LEU  85   1.556  -0.417   1.132
  657    HA   LEU  85           HA       LEU  85   0.473  -0.266  -1.598
  658    HB2  LEU  85           HB2      LEU  85  -1.081  -0.302   0.412
  659    HB3  LEU  85           HB1      LEU  85  -0.427   1.259   0.850
  660    HG   LEU  85           HG       LEU  85  -2.674   1.226  -0.354
  661   HD11  LEU  85          HD11      LEU  85  -1.361   3.262  -0.084
  662   HD12  LEU  85          HD12      LEU  85  -2.185   3.227  -1.643
  663   HD13  LEU  85          HD13      LEU  85  -0.458   2.878  -1.549
  664   HD21  LEU  85          HD21      LEU  85  -0.956   0.801  -2.787
  665   HD22  LEU  85          HD22      LEU  85  -2.711   0.973  -2.716
  666   HD23  LEU  85          HD23      LEU  85  -1.939  -0.460  -2.044
  667    H    ILE  86           H        ILE  86   1.796   0.894  -2.841
  668    HA   ILE  86           HA       ILE  86   3.189   3.209  -1.685
  669    HB   ILE  86           HB       ILE  86   3.662   2.000  -4.416
  670   HG12  ILE  86          HG12      ILE  86   5.840   1.191  -3.202
  671   HG13  ILE  86          HG11      ILE  86   4.855   1.314  -1.752
  672   HG21  ILE  86          HG21      ILE  86   5.748   3.236  -4.351
  673   HG22  ILE  86          HG22      ILE  86   5.365   3.833  -2.735
  674   HG23  ILE  86          HG23      ILE  86   4.380   4.325  -4.116
  675   HD11  ILE  86          HD11      ILE  86   4.893  -0.951  -2.633
  676   HD12  ILE  86          HD12      ILE  86   4.223  -0.373  -4.158
  677   HD13  ILE  86          HD13      ILE  86   3.268  -0.272  -2.680
  678    H    SER  87           H        SER  87   2.231   5.109  -1.947
  679    HA   SER  87           HA       SER  87   0.365   5.469  -4.176
  680    HB2  SER  87           HB2      SER  87   0.873   7.267  -1.799
  681    HB3  SER  87           HB1      SER  87  -0.450   7.406  -2.954
  682    HG   SER  87           HG       SER  87  -0.044   5.055  -1.446
  683    H    ILE  88           H        ILE  88   0.897   6.612  -5.916
  684    HA   ILE  88           HA       ILE  88   3.339   8.245  -5.851
  685    HB   ILE  88           HB       ILE  88   1.730   7.299  -8.234
  686   HG12  ILE  88          HG12      ILE  88   2.844   5.441  -7.094
  687   HG13  ILE  88          HG11      ILE  88   3.609   5.764  -8.645
  688   HG21  ILE  88          HG21      ILE  88   4.395   8.706  -8.101
  689   HG22  ILE  88          HG22      ILE  88   2.881   9.384  -8.700
  690   HG23  ILE  88          HG23      ILE  88   3.655   8.055  -9.564
  691   HD11  ILE  88          HD11      ILE  88   5.404   6.970  -7.487
  692   HD12  ILE  88          HD12      ILE  88   5.269   5.291  -6.963
  693   HD13  ILE  88          HD13      ILE  88   4.644   6.586  -5.942
  694    H    GLN  89           H        GLN  89   3.024  10.329  -5.433
  695    HA   GLN  89           HA       GLN  89   0.432  11.549  -5.885
  696    HB2  GLN  89           HB2      GLN  89   2.969  12.717  -4.730
  697    HB3  GLN  89           HB1      GLN  89   1.397  13.499  -4.738
  698    HG2  GLN  89           HG2      GLN  89   0.505  11.801  -3.272
  699    HG3  GLN  89           HG1      GLN  89   2.032  10.918  -3.329
  700   HE21  GLN  89          HE21      GLN  89   2.391  11.062  -1.138
  701   HE22  GLN  89          HE22      GLN  89   2.806  12.547  -0.352
  702    H    GLN  90           H        GLN  90   0.642  13.994  -6.592
  703    HA   GLN  90           HA       GLN  90   1.391  14.048  -9.313
  704    HB2  GLN  90           HB2      GLN  90  -0.367  15.473  -8.368
  705    HB3  GLN  90           HB1      GLN  90   0.833  16.331  -7.413
  706    HG2  GLN  90           HG2      GLN  90   1.876  17.163  -9.440
  707    HG3  GLN  90           HG1      GLN  90   0.718  16.263 -10.418
  708   HE21  GLN  90          HE21      GLN  90  -0.126  17.898  -7.447
  709   HE22  GLN  90          HE22      GLN  90  -1.101  19.121  -8.178
  710    H    TYR  91           H        TYR  91   2.943  15.249  -6.386
  711    HA   TYR  91           HA       TYR  91   5.127  16.449  -7.835
  712    HB2  TYR  91           HB2      TYR  91   4.729  16.005  -4.872
  713    HB3  TYR  91           HB1      TYR  91   6.039  16.938  -5.585
  714    HD1  TYR  91           HD1      TYR  91   5.185  18.838  -7.272
  715    HD2  TYR  91           HD2      TYR  91   2.909  17.166  -4.092
  716    HE1  TYR  91           HE1      TYR  91   3.779  20.853  -7.225
  717    HE2  TYR  91           HE2      TYR  91   1.496  19.176  -4.041
  718    HH   TYR  91           HH       TYR  91   1.438  21.446  -6.489
  719    H    GLY  92           H        GLY  92   4.459  13.353  -7.486
  720    HA2  GLY  92           HA2      GLY  92   5.807  11.519  -7.880
  721    HA3  GLY  92           HA1      GLY  92   7.203  12.583  -7.823
  722    H    HIS  93           H        HIS  93   5.374  13.051  -5.071
  723    HA   HIS  93           HA       HIS  93   7.259  11.806  -3.359
  724    HB2  HIS  93           HB2      HIS  93   4.476  12.848  -2.801
  725    HB3  HIS  93           HB1      HIS  93   5.555  12.238  -1.555
  726    HD1  HIS  93           HD1      HIS  93   4.550  15.113  -1.407
  727    HD2  HIS  93           HD2      HIS  93   8.117  14.000  -3.235
  728    HE1  HIS  93           HE1      HIS  93   5.981  17.181  -1.420
  729    HE2  HIS  93           HE2      HIS  93   8.087  16.509  -2.631
  730    H    GLN  94           H        GLN  94   7.446   9.717  -2.906
  731    HA   GLN  94           HA       GLN  94   5.181   7.961  -3.516
  732    HB2  GLN  94           HB2      GLN  94   8.045   7.209  -2.908
  733    HB3  GLN  94           HB1      GLN  94   6.787   6.142  -3.514
  734    HG2  GLN  94           HG2      GLN  94   6.696   7.443  -5.587
  735    HG3  GLN  94           HG1      GLN  94   7.982   8.484  -4.980
  736   HE21  GLN  94          HE21      GLN  94   7.940   6.829  -7.350
  737   HE22  GLN  94          HE22      GLN  94   9.256   5.717  -7.196
  738    H    GLU  95           H        GLU  95   3.953   7.323  -1.924
  739    HA   GLU  95           HA       GLU  95   5.051   7.300   0.810
  740    HB2  GLU  95           HB2      GLU  95   2.161   7.504  -0.056
  741    HB3  GLU  95           HB1      GLU  95   2.769   7.624   1.588
  742    HG2  GLU  95           HG2      GLU  95   3.398   9.553  -0.635
  743    HG3  GLU  95           HG1      GLU  95   2.178   9.800   0.611
  744    H    VAL  96           H        VAL  96   5.475   5.309   1.519
  745    HA   VAL  96           HA       VAL  96   3.945   3.070   0.377
  746    HB   VAL  96           HB       VAL  96   6.627   2.940   1.757
  747   HG11  VAL  96          HG11      VAL  96   5.080   0.905   0.161
  748   HG12  VAL  96          HG12      VAL  96   5.426   0.857   1.888
  749   HG13  VAL  96          HG13      VAL  96   6.738   0.697   0.722
  750   HG21  VAL  96          HG21      VAL  96   5.986   2.994  -1.193
  751   HG22  VAL  96          HG22      VAL  96   7.565   2.602  -0.509
  752   HG23  VAL  96          HG23      VAL  96   6.879   4.210  -0.278
  753    H    THR  97           H        THR  97   2.302   2.615   1.695
  754    HA   THR  97           HA       THR  97   2.810   2.479   4.584
  755    HB   THR  97           HB       THR  97   0.144   2.262   3.170
  756    HG1  THR  97           HG1      THR  97  -0.079   4.488   3.927
  757   HG21  THR  97          HG21      THR  97  -0.766   2.802   5.387
  758   HG22  THR  97          HG22      THR  97   0.869   2.824   6.050
  759   HG23  THR  97          HG23      THR  97   0.190   1.319   5.428
  760    H    ARG  98           H        ARG  98   3.263   0.546   5.416
  761    HA   ARG  98           HA       ARG  98   2.809  -1.805   3.750
  762    HB2  ARG  98           HB2      ARG  98   4.478  -1.451   6.238
  763    HB3  ARG  98           HB1      ARG  98   4.360  -2.934   5.305
  764    HG2  ARG  98           HG2      ARG  98   5.311  -1.778   3.363
  765    HG3  ARG  98           HG1      ARG  98   5.466  -0.311   4.333
  766    HD2  ARG  98           HD2      ARG  98   6.936  -1.511   5.887
  767    HD3  ARG  98           HD1      ARG  98   6.795  -2.957   4.891
  768    HE   ARG  98           HE       ARG  98   7.763  -0.618   3.497
  769   HH11  ARG  98          HH11      ARG  98   8.627  -3.435   5.379
  770   HH12  ARG  98          HH12      ARG  98  10.236  -3.534   4.736
  771   HH21  ARG  98          HH21      ARG  98   9.881  -0.725   2.654
  772   HH22  ARG  98          HH22      ARG  98  10.956  -1.976   3.196
  773    H    PHE  99           H        PHE  99   1.918  -3.708   4.529
  774    HA   PHE  99           HA       PHE  99   0.662  -3.776   7.130
  775    HB2  PHE  99           HB2      PHE  99  -1.575  -4.329   6.233
  776    HB3  PHE  99           HB1      PHE  99  -1.089  -2.691   5.818
  777    HD1  PHE  99           HD1      PHE  99  -1.910  -5.997   4.554
  778    HD2  PHE  99           HD2      PHE  99  -0.498  -2.119   3.509
  779    HE1  PHE  99           HE1      PHE  99  -2.385  -6.465   2.185
  780    HE2  PHE  99           HE2      PHE  99  -0.969  -2.581   1.139
  781    HZ   PHE  99           HZ       PHE  99  -1.914  -4.756   0.477
  782    H    ASP 100           H        ASP 100  -0.444  -5.986   7.393
  783    HA   ASP 100           HA       ASP 100   0.972  -8.020   5.815
  784    HB2  ASP 100           HB2      ASP 100   0.706  -7.969   8.834
  785    HB3  ASP 100           HB1      ASP 100   1.299  -9.341   7.910
  786    H    PHE 101           H        PHE 101  -0.104 -10.052   5.717
  787    HA   PHE 101           HA       PHE 101  -2.883 -10.019   6.685
  788    HB2  PHE 101           HB2      PHE 101  -3.014  -9.551   4.323
  789    HB3  PHE 101           HB1      PHE 101  -1.904 -10.866   3.949
  790    HD1  PHE 101           HD1      PHE 101  -5.184 -10.298   5.635
  791    HD2  PHE 101           HD2      PHE 101  -2.799 -12.846   3.206
  792    HE1  PHE 101           HE1      PHE 101  -7.096 -11.821   5.358
  793    HE2  PHE 101           HE2      PHE 101  -4.705 -14.375   2.925
  794    HZ   PHE 101           HZ       PHE 101  -6.859 -13.863   4.002
  795    H    THR 102           H        THR 102  -3.645 -11.933   7.489
  796    HA   THR 102           HA       THR 102  -1.811 -14.228   7.437
  797    HB   THR 102           HB       THR 102  -3.340 -13.349   9.893
  798    HG1  THR 102           HG1      THR 102  -0.532 -13.107   9.458
  799   HG21  THR 102          HG21      THR 102  -2.841 -15.740   9.790
  800   HG22  THR 102          HG22      THR 102  -1.878 -14.953  11.040
  801   HG23  THR 102          HG23      THR 102  -1.139 -15.380   9.497
  802    H    THR 103           H        THR 103  -5.059 -13.300   8.608
  803    HA   THR 103           HA       THR 103  -6.269 -15.309   6.911
  804    HB   THR 103           HB       THR 103  -6.673 -15.477   9.907
  805    HG1  THR 103           HG1      THR 103  -4.750 -16.527   8.328
  806   HG21  THR 103          HG21      THR 103  -7.641 -17.248   7.658
  807   HG22  THR 103          HG22      THR 103  -8.636 -16.131   8.591
  808   HG23  THR 103          HG23      THR 103  -7.906 -17.529   9.379
  809    H    THR 104           H        THR 104  -7.175 -13.535   9.864
  810    HA   THR 104           HA       THR 104  -8.796 -11.661   8.418
  811    HB   THR 104           HB       THR 104 -10.218 -13.615  10.251
  812    HG1  THR 104           HG1      THR 104  -9.664 -13.742   7.596
  813   HG21  THR 104          HG21      THR 104 -11.159 -11.352  10.305
  814   HG22  THR 104          HG22      THR 104 -12.255 -12.476   9.502
  815   HG23  THR 104          HG23      THR 104 -11.283 -11.359   8.545
  816    H    SER 105           H        SER 105  -7.427 -10.217   9.525
  817    HA   SER 105           HA       SER 105  -7.450 -10.250  12.433
  818    HB2  SER 105           HB2      SER 105  -5.967  -8.444  10.513
  819    HB3  SER 105           HB1      SER 105  -5.721  -8.524  12.258
  820    HG   SER 105           HG       SER 105  -4.765 -10.445  12.065
  821    H    THR 106           H        THR 106  -9.938  -9.760  11.658
  822    HA   THR 106           HA       THR 106 -10.298  -6.985  12.499
  823    HB   THR 106           HB       THR 106 -11.937  -8.182  10.255
  824    HG1  THR 106           HG1      THR 106 -10.332  -7.590   9.017
  825   HG21  THR 106          HG21      THR 106 -11.764  -5.371  11.354
  826   HG22  THR 106          HG22      THR 106 -13.096  -6.498  11.609
  827   HG23  THR 106          HG23      THR 106 -12.756  -5.886   9.991
  828    H    SER 107           H        SER 107 -10.784  -7.937  14.528
  829    HA   SER 107           HA       SER 107 -12.883  -9.836  14.843
  830    HB2  SER 107           HB2      SER 107 -11.679  -7.967  16.900
  831    HB3  SER 107           HB1      SER 107 -12.614  -9.425  17.232
  832    HG   SER 107           HG       SER 107 -10.097  -9.380  17.119
  833    H    THR 108           H        THR 108 -14.589  -8.890  13.650
  834    HA   THR 108           HA       THR 108 -15.681  -6.348  14.232
  835    HB   THR 108           HB       THR 108 -17.702  -7.267  13.002
  836    HG1  THR 108           HG1      THR 108 -17.263  -9.501  13.551
  837   HG21  THR 108          HG21      THR 108 -15.019  -7.540  11.643
  838   HG22  THR 108          HG22      THR 108 -15.916  -6.036  11.855
  839   HG23  THR 108          HG23      THR 108 -16.570  -7.318  10.833
  840    HA   PRO 109           HA       PRO 109 -17.676  -7.449  18.083
  841    HB2  PRO 109           HB2      PRO 109 -19.200  -5.168  18.246
  842    HB3  PRO 109           HB1      PRO 109 -17.517  -5.277  18.770
  843    HG2  PRO 109           HG2      PRO 109 -18.647  -4.186  16.230
  844    HG3  PRO 109           HG1      PRO 109 -17.308  -3.575  17.219
  845    HD2  PRO 109           HD2      PRO 109 -16.902  -4.956  14.938
  846    HD3  PRO 109           HD1      PRO 109 -15.797  -5.072  16.322
  847    H    GLY 110           H        GLY 110 -19.452  -8.625  18.414
  848    HA2  GLY 110           HA2      GLY 110 -21.349  -8.972  16.286
  849    HA3  GLY 110           HA1      GLY 110 -21.350  -9.805  17.832
  850    H    SER 111           H        SER 111 -21.932  -6.591  16.464
  851    HA   SER 111           HA       SER 111 -24.462  -6.477  17.891
  852    HB2  SER 111           HB2      SER 111 -22.299  -4.378  18.190
  853    HB3  SER 111           HB1      SER 111 -23.966  -4.178  18.727
  854    HG   SER 111           HG       SER 111 -22.815  -6.499  19.621
  855    H    ARG 112           H        ARG 112 -25.775  -6.257  16.229
  856    HA   ARG 112           HA       ARG 112 -25.033  -4.857  13.824
  857    HB2  ARG 112           HB2      ARG 112 -27.596  -6.210  14.680
  858    HB3  ARG 112           HB1      ARG 112 -27.330  -5.517  13.087
  859    HG2  ARG 112           HG2      ARG 112 -25.720  -7.126  12.530
  860    HG3  ARG 112           HG1      ARG 112 -25.518  -7.625  14.211
  861    HD2  ARG 112           HD2      ARG 112 -28.041  -7.999  12.603
  862    HD3  ARG 112           HD1      ARG 112 -26.809  -9.239  12.832
  863    HE   ARG 112           HE       ARG 112 -27.550  -8.341  15.356
  864   HH11  ARG 112          HH11      ARG 112 -29.045  -9.997  12.659
  865   HH12  ARG 112          HH12      ARG 112 -30.163 -10.872  13.654
  866   HH21  ARG 112          HH21      ARG 112 -29.006  -9.491  16.667
  867   HH22  ARG 112          HH22      ARG 112 -30.131 -10.593  15.939
  868    H    SER 113           H        SER 113 -24.736  -2.912  15.377
  869    HA   SER 113           HA       SER 113 -26.965  -1.127  14.940
  870    HB2  SER 113           HB2      SER 113 -27.511  -2.199  17.119
  871    HB3  SER 113           HB1      SER 113 -25.966  -1.645  17.757
  872    HG   SER 113           HG       SER 113 -26.701   0.346  17.890
  873    H    HIS 114           H        HIS 114 -24.732  -0.883  13.629
  874    HA   HIS 114           HA       HIS 114 -22.814   0.725  15.103
  875    HB2  HIS 114           HB2      HIS 114 -22.847  -0.455  12.341
  876    HB3  HIS 114           HB1      HIS 114 -21.669   0.776  12.784
  877    HD1  HIS 114           HD1      HIS 114 -22.175  -2.805  12.830
  878    HD2  HIS 114           HD2      HIS 114 -20.085  -0.050  15.138
  879    HE1  HIS 114           HE1      HIS 114 -20.471  -4.143  14.103
  880    HE2  HIS 114           HE2      HIS 114 -19.075  -2.419  15.300
  881    H    HIS 115           H        HIS 115 -24.510   2.358  15.480
  882    HA   HIS 115           HA       HIS 115 -24.478   4.291  13.266
  883    HB2  HIS 115           HB2      HIS 115 -26.517   5.315  14.217
  884    HB3  HIS 115           HB1      HIS 115 -26.778   3.650  13.726
  885    HD1  HIS 115           HD1      HIS 115 -27.235   5.927  16.515
  886    HD2  HIS 115           HD2      HIS 115 -26.846   1.818  16.035
  887    HE1  HIS 115           HE1      HIS 115 -28.132   4.912  18.629
  888    HE2  HIS 115           HE2      HIS 115 -27.991   2.426  18.273
  889    H    HIS 116           H        HIS 116 -22.563   5.220  13.768
  890    HA   HIS 116           HA       HIS 116 -20.994   6.455  14.841
  891    HB2  HIS 116           HB2      HIS 116 -23.466   7.522  16.202
  892    HB3  HIS 116           HB1      HIS 116 -21.857   8.151  16.542
  893    HD1  HIS 116           HD1      HIS 116 -24.679   8.844  14.516
  894    HD2  HIS 116           HD2      HIS 116 -20.567   8.982  13.922
  895    HE1  HIS 116           HE1      HIS 116 -24.329  10.355  12.537
  896    HE2  HIS 116           HE2      HIS 116 -21.835  10.440  12.205
  897    H    HIS 117           H        HIS 117 -21.290   3.859  15.714
  898    HA   HIS 117           HA       HIS 117 -20.755   4.107  18.597
  899    HB2  HIS 117           HB2      HIS 117 -22.867   2.854  18.041
  900    HB3  HIS 117           HB1      HIS 117 -21.870   1.655  17.224
  901    HD1  HIS 117           HD1      HIS 117 -20.518   0.031  18.694
  902    HD2  HIS 117           HD2      HIS 117 -22.715   2.824  20.850
  903    HE1  HIS 117           HE1      HIS 117 -20.453  -0.755  21.081
  904    HE2  HIS 117           HE2      HIS 117 -21.671   1.026  22.384
  905    H    HIS 118           H        HIS 118 -18.568   4.545  17.850
  906    HA   HIS 118           HA       HIS 118 -17.122   2.114  17.048
  907    HB2  HIS 118           HB2      HIS 118 -16.792   4.026  15.548
  908    HB3  HIS 118           HB1      HIS 118 -16.275   5.019  16.905
  909    HD1  HIS 118           HD1      HIS 118 -13.840   5.097  17.325
  910    HD2  HIS 118           HD2      HIS 118 -14.926   1.785  15.057
  911    HE1  HIS 118           HE1      HIS 118 -11.678   4.003  16.645
  912    HE2  HIS 118           HE2      HIS 118 -12.358   2.099  15.138
  913    H    HIS 119           H        HIS 119 -16.819   1.104  18.986
  914    HA   HIS 119           HA       HIS 119 -15.085   2.503  20.892
  915    HB2  HIS 119           HB2      HIS 119 -17.343   2.568  21.844
  916    HB3  HIS 119           HB1      HIS 119 -17.491   0.826  21.649
  917    HD1  HIS 119           HD1      HIS 119 -16.236  -0.671  23.350
  918    HD2  HIS 119           HD2      HIS 119 -15.774   3.409  24.007
  919    HE1  HIS 119           HE1      HIS 119 -15.232  -0.463  25.644
  920    HE2  HIS 119           HE2      HIS 119 -15.128   2.013  26.082
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -7.198  21.374  19.233
    2    H2   GLY   1           HT2      GLY   1  -7.299  21.804  17.601
    3    H3   GLY   1           HT3      GLY   1  -6.104  22.487  18.581
    4    HA2  GLY   1           HA1      GLY   1  -5.049  20.344  18.860
    5    HA3  GLY   1           HA2      GLY   1  -6.301  19.619  17.862
    6    H    SER   2           H        SER   2  -3.206  20.619  17.806
    7    HA   SER   2           HA       SER   2  -3.141  21.966  15.280
    8    HB2  SER   2           HB2      SER   2  -0.665  21.668  15.504
    9    HB3  SER   2           HB1      SER   2  -1.411  22.436  16.905
   10    HG   SER   2           HG       SER   2  -1.129  19.646  16.880
   11    H    GLN   3           H        GLN   3  -3.376  21.019  13.374
   12    HA   GLN   3           HA       GLN   3  -3.088  18.165  13.060
   13    HB2  GLN   3           HB2      GLN   3  -3.641  20.337  11.025
   14    HB3  GLN   3           HB1      GLN   3  -3.692  18.612  10.695
   15    HG2  GLN   3           HG2      GLN   3  -5.517  18.375  12.324
   16    HG3  GLN   3           HG1      GLN   3  -5.483  20.119  12.587
   17   HE21  GLN   3          HE21      GLN   3  -6.331  17.566  10.400
   18   HE22  GLN   3          HE22      GLN   3  -7.259  18.530   9.307
   19    H    THR   4           H        THR   4  -0.790  18.236  13.754
   20    HA   THR   4           HA       THR   4   1.061  19.338  11.788
   21    HB   THR   4           HB       THR   4   1.675  17.963  14.411
   22    HG1  THR   4           HG1      THR   4   1.055  20.634  13.728
   23   HG21  THR   4          HG21      THR   4   3.357  19.747  12.643
   24   HG22  THR   4          HG22      THR   4   3.561  18.007  12.842
   25   HG23  THR   4          HG23      THR   4   3.846  19.087  14.206
   26    H    THR   5           H        THR   5   0.115  16.223  13.190
   27    HA   THR   5           HA       THR   5   1.960  14.735  11.559
   28    HB   THR   5           HB       THR   5  -0.435  13.582  12.989
   29    HG1  THR   5           HG1      THR   5   1.815  14.804  14.033
   30   HG21  THR   5          HG21      THR   5   0.842  12.077  11.526
   31   HG22  THR   5          HG22      THR   5   1.017  11.625  13.222
   32   HG23  THR   5          HG23      THR   5   2.318  12.484  12.400
   33    H    ALA   6           H        ALA   6   1.233  15.752   9.535
   34    HA   ALA   6           HA       ALA   6  -1.382  15.065   8.528
   35    HB1  ALA   6           HB1      ALA   6   0.978  16.335   7.148
   36    HB2  ALA   6           HB2      ALA   6  -0.363  17.188   7.913
   37    HB3  ALA   6           HB3      ALA   6  -0.649  16.195   6.484
   38    HA   PRO   7           HA       PRO   7   0.236  11.147   7.114
   39    HB2  PRO   7           HB2      PRO   7  -2.133   9.995   6.569
   40    HB3  PRO   7           HB1      PRO   7  -1.565  10.230   8.225
   41    HG2  PRO   7           HG2      PRO   7  -3.568  11.796   6.666
   42    HG3  PRO   7           HG1      PRO   7  -3.577  11.352   8.381
   43    HD2  PRO   7           HD2      PRO   7  -2.821  13.823   7.389
   44    HD3  PRO   7           HD1      PRO   7  -2.350  13.177   8.972
   45    H    ASP   8           H        ASP   8   1.262  11.558   5.203
   46    HA   ASP   8           HA       ASP   8  -0.275  11.984   2.772
   47    HB2  ASP   8           HB2      ASP   8   2.682  11.542   3.238
   48    HB3  ASP   8           HB1      ASP   8   1.966  11.783   1.650
   49    H    ALA   9           H        ALA   9   1.116   9.473   4.632
   50    HA   ALA   9           HA       ALA   9   0.630   7.449   2.582
   51    HB1  ALA   9           HB1      ALA   9   1.737   7.143   5.370
   52    HB2  ALA   9           HB2      ALA   9   2.705   7.349   3.914
   53    HB3  ALA   9           HB3      ALA   9   1.704   5.911   4.110
   54    HA   PRO  10           HA       PRO  10  -3.557   6.762   3.985
   55    HB2  PRO  10           HB2      PRO  10  -2.805   3.971   3.206
   56    HB3  PRO  10           HB1      PRO  10  -4.258   4.895   2.804
   57    HG2  PRO  10           HG2      PRO  10  -2.344   4.607   1.002
   58    HG3  PRO  10           HG1      PRO  10  -3.159   6.170   1.196
   59    HD2  PRO  10           HD2      PRO  10  -0.444   5.335   2.089
   60    HD3  PRO  10           HD1      PRO  10  -0.988   6.893   1.498
   61    HA   PRO  11           HA       PRO  11  -2.868   5.895   8.248
   62    HB2  PRO  11           HB2      PRO  11  -5.652   4.821   8.007
   63    HB3  PRO  11           HB1      PRO  11  -4.966   5.903   9.226
   64    HG2  PRO  11           HG2      PRO  11  -6.468   6.865   7.252
   65    HG3  PRO  11           HG1      PRO  11  -5.039   7.746   7.823
   66    HD2  PRO  11           HD2      PRO  11  -5.438   6.221   5.309
   67    HD3  PRO  11           HD1      PRO  11  -4.381   7.607   5.637
   68    H    ASP  12           H        ASP  12  -5.024   3.322   7.014
   69    HA   ASP  12           HA       ASP  12  -3.044   1.286   7.602
   70    HB2  ASP  12           HB2      ASP  12  -4.187   1.777   9.788
   71    HB3  ASP  12           HB1      ASP  12  -5.700   1.267   9.053
   72    HA   PRO  13           HA       PRO  13  -5.441  -0.245   4.087
   73    HB2  PRO  13           HB2      PRO  13  -3.467  -2.428   4.184
   74    HB3  PRO  13           HB1      PRO  13  -3.843  -1.317   2.863
   75    HG2  PRO  13           HG2      PRO  13  -1.540  -1.145   4.235
   76    HG3  PRO  13           HG1      PRO  13  -2.375   0.296   3.625
   77    HD2  PRO  13           HD2      PRO  13  -2.333  -0.837   6.401
   78    HD3  PRO  13           HD1      PRO  13  -2.219   0.856   5.872
   79    H    THR  14           H        THR  14  -7.278  -1.243   4.578
   80    HA   THR  14           HA       THR  14  -7.271  -3.264   6.694
   81    HB   THR  14           HB       THR  14  -9.779  -2.898   6.622
   82    HG1  THR  14           HG1      THR  14 -10.193  -1.913   4.725
   83   HG21  THR  14          HG21      THR  14  -8.019  -0.530   7.247
   84   HG22  THR  14          HG22      THR  14  -8.381  -1.872   8.331
   85   HG23  THR  14          HG23      THR  14  -9.663  -0.766   7.838
   86    H    VAL  15           H        VAL  15  -7.905  -5.321   6.362
   87    HA   VAL  15           HA       VAL  15  -8.360  -6.088   3.561
   88    HB   VAL  15           HB       VAL  15  -7.114  -7.614   5.850
   89   HG11  VAL  15          HG11      VAL  15  -7.749  -8.585   3.071
   90   HG12  VAL  15          HG12      VAL  15  -8.498  -9.142   4.566
   91   HG13  VAL  15          HG13      VAL  15  -6.789  -9.455   4.264
   92   HG21  VAL  15          HG21      VAL  15  -6.010  -6.716   3.189
   93   HG22  VAL  15          HG22      VAL  15  -5.135  -7.636   4.415
   94   HG23  VAL  15          HG23      VAL  15  -5.657  -5.985   4.755
   95    H    ASP  16           H        ASP  16 -10.421  -6.537   3.134
   96    HA   ASP  16           HA       ASP  16 -12.072  -7.832   5.170
   97    HB2  ASP  16           HB2      ASP  16 -12.746  -6.786   2.413
   98    HB3  ASP  16           HB1      ASP  16 -13.896  -7.626   3.442
   99    H    GLN  17           H        GLN  17 -12.170  -9.971   5.274
  100    HA   GLN  17           HA       GLN  17 -11.313 -11.509   2.944
  101    HB2  GLN  17           HB2      GLN  17 -11.112 -13.425   4.469
  102    HB3  GLN  17           HB1      GLN  17 -10.133 -12.082   4.968
  103    HG2  GLN  17           HG2      GLN  17 -12.789 -12.790   6.192
  104    HG3  GLN  17           HG1      GLN  17 -11.228 -13.297   6.827
  105   HE21  GLN  17          HE21      GLN  17 -13.522 -10.753   6.575
  106   HE22  GLN  17          HE22      GLN  17 -12.697  -9.615   7.586
  107    H    VAL  18           H        VAL  18 -13.218 -11.118   1.777
  108    HA   VAL  18           HA       VAL  18 -15.668 -12.332   2.831
  109    HB   VAL  18           HB       VAL  18 -16.808 -11.211   0.934
  110   HG11  VAL  18          HG11      VAL  18 -16.694 -10.127   3.105
  111   HG12  VAL  18          HG12      VAL  18 -16.606  -8.932   1.811
  112   HG13  VAL  18          HG13      VAL  18 -15.145  -9.402   2.679
  113   HG21  VAL  18          HG21      VAL  18 -14.955 -11.121  -0.644
  114   HG22  VAL  18          HG22      VAL  18 -14.091 -10.003   0.412
  115   HG23  VAL  18          HG23      VAL  18 -15.600  -9.507  -0.354
  116    H    ASP  19           H        ASP  19 -13.138 -13.513   1.331
  117    HA   ASP  19           HA       ASP  19 -14.749 -15.444  -0.155
  118    HB2  ASP  19           HB2      ASP  19 -13.653 -13.602  -1.673
  119    HB3  ASP  19           HB1      ASP  19 -12.174 -14.507  -1.371
  120    H    ASP  20           H        ASP  20 -12.827 -17.131  -1.049
  121    HA   ASP  20           HA       ASP  20 -11.909 -18.224   1.476
  122    HB2  ASP  20           HB2      ASP  20 -12.960 -19.708  -0.177
  123    HB3  ASP  20           HB1      ASP  20 -11.682 -19.336  -1.330
  124    H    THR  21           H        THR  21 -10.410 -17.417  -1.644
  125    HA   THR  21           HA       THR  21  -7.870 -17.029  -0.208
  126    HB   THR  21           HB       THR  21  -6.875 -17.616  -2.558
  127    HG1  THR  21           HG1      THR  21  -9.090 -19.336  -2.727
  128   HG21  THR  21          HG21      THR  21  -8.020 -19.717  -0.717
  129   HG22  THR  21          HG22      THR  21  -6.456 -18.915  -0.550
  130   HG23  THR  21          HG23      THR  21  -6.755 -19.988  -1.917
  131    H    SER  22           H        SER  22 -10.129 -15.215  -1.139
  132    HA   SER  22           HA       SER  22  -8.396 -13.270  -2.489
  133    HB2  SER  22           HB2      SER  22 -11.349 -13.645  -3.052
  134    HB3  SER  22           HB1      SER  22 -10.273 -12.485  -3.828
  135    HG   SER  22           HG       SER  22  -9.286 -14.999  -4.004
  136    H    ILE  23           H        ILE  23  -8.554 -11.187  -1.764
  137    HA   ILE  23           HA       ILE  23 -10.416 -10.692   0.475
  138    HB   ILE  23           HB       ILE  23  -8.728  -9.377   1.606
  139   HG12  ILE  23          HG12      ILE  23  -6.664 -10.269  -0.388
  140   HG13  ILE  23          HG11      ILE  23  -7.600  -8.806  -0.668
  141   HG21  ILE  23          HG21      ILE  23  -7.710 -12.108   0.844
  142   HG22  ILE  23          HG22      ILE  23  -8.796 -11.720   2.177
  143   HG23  ILE  23          HG23      ILE  23  -7.125 -11.156   2.209
  144   HD11  ILE  23          HD11      ILE  23  -5.745  -9.359   1.629
  145   HD12  ILE  23          HD12      ILE  23  -6.793  -7.945   1.509
  146   HD13  ILE  23          HD13      ILE  23  -5.523  -8.199   0.317
  147    H    VAL  24           H        VAL  24 -10.800  -8.383   0.864
  148    HA   VAL  24           HA       VAL  24 -10.247  -6.695  -1.488
  149    HB   VAL  24           HB       VAL  24 -12.486  -6.325   0.516
  150   HG11  VAL  24          HG11      VAL  24 -11.893  -4.905  -2.079
  151   HG12  VAL  24          HG12      VAL  24 -11.698  -4.234  -0.460
  152   HG13  VAL  24          HG13      VAL  24 -13.307  -4.637  -1.059
  153   HG21  VAL  24          HG21      VAL  24 -13.996  -6.992  -1.297
  154   HG22  VAL  24          HG22      VAL  24 -12.895  -8.298  -0.856
  155   HG23  VAL  24          HG23      VAL  24 -12.605  -7.355  -2.318
  156    H    VAL  25           H        VAL  25  -8.468  -5.591  -0.991
  157    HA   VAL  25           HA       VAL  25  -8.052  -4.674   1.749
  158    HB   VAL  25           HB       VAL  25  -6.121  -5.739   0.853
  159   HG11  VAL  25          HG11      VAL  25  -5.007  -4.899  -1.224
  160   HG12  VAL  25          HG12      VAL  25  -6.478  -3.983  -1.557
  161   HG13  VAL  25          HG13      VAL  25  -6.533  -5.746  -1.466
  162   HG21  VAL  25          HG21      VAL  25  -4.425  -3.974   0.858
  163   HG22  VAL  25          HG22      VAL  25  -5.605  -3.764   2.156
  164   HG23  VAL  25          HG23      VAL  25  -5.697  -2.760   0.707
  165    H    ARG  26           H        ARG  26  -8.549  -2.696   2.344
  166    HA   ARG  26           HA       ARG  26  -9.026  -0.683   0.241
  167    HB2  ARG  26           HB2      ARG  26 -10.342  -0.757   2.956
  168    HB3  ARG  26           HB1      ARG  26 -10.782   0.238   1.576
  169    HG2  ARG  26           HG2      ARG  26 -11.427  -1.814   0.357
  170    HG3  ARG  26           HG1      ARG  26 -11.091  -2.745   1.818
  171    HD2  ARG  26           HD2      ARG  26 -12.745  -1.292   3.013
  172    HD3  ARG  26           HD1      ARG  26 -13.171  -0.598   1.450
  173    HE   ARG  26           HE       ARG  26 -13.577  -3.415   2.241
  174   HH11  ARG  26          HH11      ARG  26 -14.350  -0.668   0.179
  175   HH12  ARG  26          HH12      ARG  26 -15.725  -1.445  -0.536
  176   HH21  ARG  26          HH21      ARG  26 -15.385  -4.417   1.293
  177   HH22  ARG  26          HH22      ARG  26 -16.322  -3.569   0.104
  178    H    TRP  27           H        TRP  27  -8.407   1.450   0.653
  179    HA   TRP  27           HA       TRP  27  -6.845   1.911   3.086
  180    HB2  TRP  27           HB2      TRP  27  -5.215   3.239   1.580
  181    HB3  TRP  27           HB1      TRP  27  -5.077   1.486   1.619
  182    HD1  TRP  27           HD1      TRP  27  -6.207   4.346  -0.678
  183    HE1  TRP  27           HE1      TRP  27  -6.301   3.465  -3.097
  184    HE3  TRP  27           HE3      TRP  27  -5.329  -0.606   0.229
  185    HZ2  TRP  27           HZ2      TRP  27  -6.022   1.002  -4.439
  186    HZ3  TRP  27           HZ3      TRP  27  -5.253  -2.158  -1.677
  187    HH2  TRP  27           HH2      TRP  27  -5.594  -1.370  -3.963
  188    H    SER  28           H        SER  28  -7.471   3.650   4.088
  189    HA   SER  28           HA       SER  28  -9.418   5.431   3.119
  190    HB2  SER  28           HB2      SER  28  -9.054   4.976   5.515
  191    HB3  SER  28           HB1      SER  28  -7.475   5.752   5.427
  192    HG   SER  28           HG       SER  28  -8.501   7.709   4.983
  193    H    ARG  29           H        ARG  29  -9.272   7.515   2.324
  194    HA   ARG  29           HA       ARG  29  -6.975   8.175   0.810
  195    HB2  ARG  29           HB2      ARG  29  -9.311   9.919   1.617
  196    HB3  ARG  29           HB1      ARG  29  -8.067  10.401   0.480
  197    HG2  ARG  29           HG2      ARG  29  -9.872   9.747  -0.841
  198    HG3  ARG  29           HG1      ARG  29  -8.771   8.371  -0.892
  199    HD2  ARG  29           HD2      ARG  29 -10.077   7.183   0.711
  200    HD3  ARG  29           HD1      ARG  29 -11.093   8.592   1.005
  201    HE   ARG  29           HE       ARG  29 -11.291   7.956  -1.704
  202   HH11  ARG  29          HH11      ARG  29 -12.111   6.562   1.390
  203   HH12  ARG  29          HH12      ARG  29 -13.457   5.656   0.778
  204   HH21  ARG  29          HH21      ARG  29 -13.075   6.775  -2.528
  205   HH22  ARG  29          HH22      ARG  29 -14.007   5.779  -1.457
  206    HA   PRO  30           HA       PRO  30  -4.281   9.947   3.904
  207    HB2  PRO  30           HB2      PRO  30  -3.538  11.594   1.529
  208    HB3  PRO  30           HB1      PRO  30  -2.500  10.719   2.659
  209    HG2  PRO  30           HG2      PRO  30  -2.994   9.759   0.217
  210    HG3  PRO  30           HG1      PRO  30  -2.850   8.687   1.619
  211    HD2  PRO  30           HD2      PRO  30  -5.279   9.512   0.118
  212    HD3  PRO  30           HD1      PRO  30  -4.942   8.013   0.989
  213    H1   MET  31           HT1      MET  31  -6.606  28.363   2.918
  214    H2   MET  31           HT2      MET  31  -6.477  30.029   2.691
  215    H3   MET  31           HT3      MET  31  -7.839  29.386   3.457
  216    HA   MET  31           HA       MET  31  -6.325  30.402   5.037
  217    HB2  MET  31           HB2      MET  31  -6.484  27.384   5.218
  218    HB3  MET  31           HB1      MET  31  -6.090  28.451   6.556
  219    HG2  MET  31           HG2      MET  31  -8.310  29.512   6.306
  220    HG3  MET  31           HG1      MET  31  -8.693  28.331   5.057
  221    HE1  MET  31           HE1      MET  31  -7.378  25.679   6.144
  222    HE2  MET  31           HE2      MET  31  -9.017  25.747   5.499
  223    HE3  MET  31           HE3      MET  31  -8.713  24.976   7.056
  224    H    ARG  32           H        ARG  32  -4.286  30.549   5.942
  225    HA   ARG  32           HA       ARG  32  -2.029  30.651   5.938
  226    HB2  ARG  32           HB2      ARG  32  -2.233  28.195   6.314
  227    HB3  ARG  32           HB1      ARG  32  -2.152  27.948   4.578
  228    HG2  ARG  32           HG2      ARG  32  -0.010  27.492   5.600
  229    HG3  ARG  32           HG1      ARG  32   0.104  28.903   4.551
  230    HD2  ARG  32           HD2      ARG  32   1.313  29.311   6.604
  231    HD3  ARG  32           HD1      ARG  32  -0.101  30.358   6.529
  232    HE   ARG  32           HE       ARG  32  -0.843  28.073   7.929
  233   HH11  ARG  32          HH11      ARG  32   1.394  30.740   8.284
  234   HH12  ARG  32          HH12      ARG  32   1.360  30.710  10.016
  235   HH21  ARG  32          HH21      ARG  32  -0.906  28.047  10.221
  236   HH22  ARG  32          HH22      ARG  32   0.046  29.187  11.118
  237    H    GLY  33           H        GLY  33  -3.195  32.124   4.067
  238    HA2  GLY  33           HA2      GLY  33  -1.942  33.418   2.447
  239    HA3  GLY  33           HA1      GLY  33  -1.298  31.908   1.823
  240    H    SER  34           H        SER  34  -2.205  33.464  -0.035
  241    HA   SER  34           HA       SER  34  -4.969  33.374  -0.605
  242    HB2  SER  34           HB2      SER  34  -3.323  34.951  -1.648
  243    HB3  SER  34           HB1      SER  34  -2.672  33.597  -2.571
  244    HG   SER  34           HG       SER  34  -5.341  34.579  -2.672
  245    H    ASN  35           H        ASN  35  -2.287  31.215  -1.294
  246    HA   ASN  35           HA       ASN  35  -4.213  29.123  -1.926
  247    HB2  ASN  35           HB2      ASN  35  -3.044  28.393  -3.924
  248    HB3  ASN  35           HB1      ASN  35  -3.540  30.068  -4.119
  249   HD21  ASN  35          HD21      ASN  35  -0.882  27.882  -3.845
  250   HD22  ASN  35          HD22      ASN  35   0.365  29.024  -4.204
  251    H    ALA  36           H        ALA  36  -3.576  27.119  -1.265
  252    HA   ALA  36           HA       ALA  36  -0.840  26.798  -0.272
  253    HB1  ALA  36           HB1      ALA  36  -1.643  25.783   1.800
  254    HB2  ALA  36           HB2      ALA  36  -3.308  26.123   1.329
  255    HB3  ALA  36           HB3      ALA  36  -2.197  27.452   1.655
  256    HA   PRO  37           HA       PRO  37  -1.851  23.237  -2.889
  257    HB2  PRO  37           HB2      PRO  37   0.748  22.437  -3.180
  258    HB3  PRO  37           HB1      PRO  37  -0.020  23.671  -4.184
  259    HG2  PRO  37           HG2      PRO  37   1.806  23.992  -1.844
  260    HG3  PRO  37           HG1      PRO  37   1.735  24.926  -3.348
  261    HD2  PRO  37           HD2      PRO  37   0.700  25.815  -1.005
  262    HD3  PRO  37           HD1      PRO  37   0.024  26.257  -2.585
  263    H    GLN  38           H        GLN  38  -2.797  21.795  -1.591
  264    HA   GLN  38           HA       GLN  38  -1.391  20.608   0.642
  265    HB2  GLN  38           HB2      GLN  38  -3.861  21.174   0.631
  266    HB3  GLN  38           HB1      GLN  38  -4.084  19.837  -0.488
  267    HG2  GLN  38           HG2      GLN  38  -4.623  19.084   1.710
  268    HG3  GLN  38           HG1      GLN  38  -3.113  18.319   1.217
  269   HE21  GLN  38          HE21      GLN  38  -4.572  20.701   3.286
  270   HE22  GLN  38          HE22      GLN  38  -3.219  20.904   4.343
  271    HA   PRO  39           HA       PRO  39   0.347  17.311  -1.904
  272    HB2  PRO  39           HB2      PRO  39   0.611  16.110   0.808
  273    HB3  PRO  39           HB1      PRO  39   1.824  16.292  -0.463
  274    HG2  PRO  39           HG2      PRO  39   1.869  17.864   1.681
  275    HG3  PRO  39           HG1      PRO  39   2.245  18.509   0.071
  276    HD2  PRO  39           HD2      PRO  39  -0.252  18.784   1.690
  277    HD3  PRO  39           HD1      PRO  39   0.554  19.972   0.645
  278    H    SER  40           H        SER  40  -1.333  16.365  -2.925
  279    HA   SER  40           HA       SER  40  -2.704  14.171  -1.750
  280    HB2  SER  40           HB2      SER  40  -5.006  15.216  -2.034
  281    HB3  SER  40           HB1      SER  40  -4.063  15.825  -0.676
  282    HG   SER  40           HG       SER  40  -3.403  17.561  -2.127
  283    H    HIS  41           H        HIS  41  -4.949  14.172  -3.461
  284    HA   HIS  41           HA       HIS  41  -5.541  13.435  -5.511
  285    HB2  HIS  41           HB2      HIS  41  -3.530  15.529  -6.353
  286    HB3  HIS  41           HB1      HIS  41  -4.544  14.648  -7.491
  287    HD1  HIS  41           HD1      HIS  41  -6.853  15.535  -7.873
  288    HD2  HIS  41           HD2      HIS  41  -5.047  17.210  -4.528
  289    HE1  HIS  41           HE1      HIS  41  -8.376  17.392  -7.144
  290    HE2  HIS  41           HE2      HIS  41  -7.202  18.476  -5.203
  291    H    ILE  42           H        ILE  42  -4.424  11.503  -4.615
  292    HA   ILE  42           HA       ILE  42  -1.870  10.758  -5.590
  293    HB   ILE  42           HB       ILE  42  -4.123   9.121  -4.426
  294   HG12  ILE  42          HG12      ILE  42  -2.400   8.820  -2.576
  295   HG13  ILE  42          HG11      ILE  42  -1.458  10.075  -3.369
  296   HG21  ILE  42          HG21      ILE  42  -2.903   7.703  -5.970
  297   HG22  ILE  42          HG22      ILE  42  -2.554   7.238  -4.304
  298   HG23  ILE  42          HG23      ILE  42  -1.376   8.175  -5.224
  299   HD11  ILE  42          HD11      ILE  42  -4.226  10.384  -2.234
  300   HD12  ILE  42          HD12      ILE  42  -3.301  11.648  -3.044
  301   HD13  ILE  42          HD13      ILE  42  -2.727  10.975  -1.518
  302    H    SER  43           H        SER  43  -1.302  10.030  -7.495
  303    HA   SER  43           HA       SER  43  -3.230   9.949  -9.610
  304    HB2  SER  43           HB2      SER  43  -0.941  10.912  -9.852
  305    HB3  SER  43           HB1      SER  43  -0.273   9.292  -9.670
  306    HG   SER  43           HG       SER  43  -1.359  10.485 -11.858
  307    H    LYS  44           H        LYS  44  -1.366   7.607  -7.772
  308    HA   LYS  44           HA       LYS  44  -3.127   5.497  -8.551
  309    HB2  LYS  44           HB2      LYS  44  -1.397   4.032  -9.540
  310    HB3  LYS  44           HB1      LYS  44  -1.718   5.454 -10.521
  311    HG2  LYS  44           HG2      LYS  44   0.303   6.513  -9.671
  312    HG3  LYS  44           HG1      LYS  44   0.619   5.109  -8.651
  313    HD2  LYS  44           HD2      LYS  44   0.794   3.703 -10.655
  314    HD3  LYS  44           HD1      LYS  44   0.498   5.119 -11.667
  315    HE2  LYS  44           HE2      LYS  44   2.524   6.168 -10.747
  316    HE3  LYS  44           HE1      LYS  44   2.826   4.718  -9.795
  317    HZ1  LYS  44           HZ1      LYS  44   2.755   4.874 -12.756
  318    HZ2  LYS  44           HZ2      LYS  44   3.001   3.460 -11.860
  319    HZ3  LYS  44           HZ3      LYS  44   4.140   4.709 -11.800
  320    H    TYR  45           H        TYR  45  -3.001   3.729  -7.228
  321    HA   TYR  45           HA       TYR  45  -1.063   3.861  -4.998
  322    HB2  TYR  45           HB2      TYR  45  -3.786   2.533  -5.176
  323    HB3  TYR  45           HB1      TYR  45  -2.691   2.373  -3.813
  324    HD1  TYR  45           HD1      TYR  45  -2.189   4.367  -2.405
  325    HD2  TYR  45           HD2      TYR  45  -5.193   4.434  -5.412
  326    HE1  TYR  45           HE1      TYR  45  -3.196   6.342  -1.343
  327    HE2  TYR  45           HE2      TYR  45  -6.206   6.414  -4.362
  328    HH   TYR  45           HH       TYR  45  -4.627   8.219  -1.935
  329    H    ILE  46           H        ILE  46   0.461   2.282  -4.998
  330    HA   ILE  46           HA       ILE  46   0.058   0.022  -6.831
  331    HB   ILE  46           HB       ILE  46   2.604   1.144  -5.647
  332   HG12  ILE  46          HG12      ILE  46   3.142   1.357  -8.152
  333   HG13  ILE  46          HG11      ILE  46   1.422   1.107  -8.419
  334   HG21  ILE  46          HG21      ILE  46   3.800  -0.534  -6.964
  335   HG22  ILE  46          HG22      ILE  46   2.260  -1.254  -7.435
  336   HG23  ILE  46          HG23      ILE  46   2.762  -1.275  -5.746
  337   HD11  ILE  46          HD11      ILE  46   1.980   3.456  -8.455
  338   HD12  ILE  46          HD12      ILE  46   2.663   3.340  -6.834
  339   HD13  ILE  46          HD13      ILE  46   0.934   3.091  -7.082
  340    H    LEU  47           H        LEU  47  -0.505  -1.847  -5.996
  341    HA   LEU  47           HA       LEU  47   0.004  -2.389  -3.149
  342    HB2  LEU  47           HB2      LEU  47  -2.314  -2.567  -4.406
  343    HB3  LEU  47           HB1      LEU  47  -1.681  -4.104  -4.949
  344    HG   LEU  47           HG       LEU  47  -3.124  -4.479  -3.079
  345   HD11  LEU  47          HD11      LEU  47  -1.585  -5.508  -1.429
  346   HD12  LEU  47          HD12      LEU  47  -0.236  -4.783  -2.309
  347   HD13  LEU  47          HD13      LEU  47  -1.278  -5.964  -3.103
  348   HD21  LEU  47          HD21      LEU  47  -2.763  -3.506  -0.887
  349   HD22  LEU  47          HD22      LEU  47  -3.044  -2.252  -2.095
  350   HD23  LEU  47          HD23      LEU  47  -1.409  -2.564  -1.513
  351    H    ARG  48           H        ARG  48   1.893  -3.453  -2.841
  352    HA   ARG  48           HA       ARG  48   2.512  -5.665  -4.697
  353    HB2  ARG  48           HB2      ARG  48   4.614  -4.090  -3.215
  354    HB3  ARG  48           HB1      ARG  48   4.842  -5.221  -4.543
  355    HG2  ARG  48           HG2      ARG  48   3.498  -3.585  -5.951
  356    HG3  ARG  48           HG1      ARG  48   3.723  -2.445  -4.625
  357    HD2  ARG  48           HD2      ARG  48   5.875  -3.769  -6.263
  358    HD3  ARG  48           HD1      ARG  48   5.411  -2.071  -6.298
  359    HE   ARG  48           HE       ARG  48   6.160  -2.123  -3.852
  360   HH11  ARG  48          HH11      ARG  48   7.584  -3.991  -6.454
  361   HH12  ARG  48          HH12      ARG  48   9.139  -4.112  -5.682
  362   HH21  ARG  48          HH21      ARG  48   8.224  -2.276  -2.842
  363   HH22  ARG  48          HH22      ARG  48   9.504  -3.131  -3.640
  364    H    TRP  49           H        TRP  49   2.436  -7.581  -3.718
  365    HA   TRP  49           HA       TRP  49   3.051  -7.669  -0.847
  366    HB2  TRP  49           HB2      TRP  49   1.213  -9.174  -0.433
  367    HB3  TRP  49           HB1      TRP  49   0.594  -7.724  -1.212
  368    HD1  TRP  49           HD1      TRP  49   0.665 -11.440  -1.533
  369    HE1  TRP  49           HE1      TRP  49  -0.552 -12.168  -3.681
  370    HE3  TRP  49           HE3      TRP  49   0.232  -6.879  -3.796
  371    HZ2  TRP  49           HZ2      TRP  49  -1.561 -10.955  -6.029
  372    HZ3  TRP  49           HZ3      TRP  49  -0.875  -6.744  -5.986
  373    HH2  TRP  49           HH2      TRP  49  -1.747  -8.742  -7.083
  374    H    ARG  50           H        ARG  50   4.054  -9.469  -0.089
  375    HA   ARG  50           HA       ARG  50   4.626 -11.646  -1.966
  376    HB2  ARG  50           HB2      ARG  50   6.563 -10.162  -2.067
  377    HB3  ARG  50           HB1      ARG  50   6.695 -10.187  -0.315
  378    HG2  ARG  50           HG2      ARG  50   7.104 -12.632  -0.435
  379    HG3  ARG  50           HG1      ARG  50   7.125 -12.496  -2.194
  380    HD2  ARG  50           HD2      ARG  50   9.384 -12.462  -1.382
  381    HD3  ARG  50           HD1      ARG  50   8.971 -10.865  -2.004
  382    HE   ARG  50           HE       ARG  50   8.452 -10.937   0.759
  383   HH11  ARG  50          HH11      ARG  50  11.128 -10.919  -1.493
  384   HH12  ARG  50          HH12      ARG  50  12.242 -10.215  -0.367
  385   HH21  ARG  50          HH21      ARG  50   9.892  -9.981   2.243
  386   HH22  ARG  50          HH22      ARG  50  11.540  -9.684   1.760
  387    HA   PRO  51           HA       PRO  51   3.330 -13.885   1.745
  388    HB2  PRO  51           HB2      PRO  51   4.347 -16.103   0.038
  389    HB3  PRO  51           HB1      PRO  51   2.818 -15.969   0.914
  390    HG2  PRO  51           HG2      PRO  51   2.893 -15.676  -1.730
  391    HG3  PRO  51           HG1      PRO  51   1.840 -14.656  -0.733
  392    HD2  PRO  51           HD2      PRO  51   4.453 -13.992  -2.024
  393    HD3  PRO  51           HD1      PRO  51   3.005 -12.983  -1.818
  394    H    LYS  52           H        LYS  52   4.509 -14.447   3.459
  395    HA   LYS  52           HA       LYS  52   7.285 -13.992   3.525
  396    HB2  LYS  52           HB2      LYS  52   5.377 -15.300   5.445
  397    HB3  LYS  52           HB1      LYS  52   7.079 -15.081   5.825
  398    HG2  LYS  52           HG2      LYS  52   5.187 -12.845   5.127
  399    HG3  LYS  52           HG1      LYS  52   5.585 -13.339   6.773
  400    HD2  LYS  52           HD2      LYS  52   7.535 -12.327   4.701
  401    HD3  LYS  52           HD1      LYS  52   6.918 -11.410   6.076
  402    HE2  LYS  52           HE2      LYS  52   7.920 -13.109   7.586
  403    HE3  LYS  52           HE1      LYS  52   8.626 -13.891   6.177
  404    HZ1  LYS  52           HZ1      LYS  52  10.211 -12.441   7.258
  405    HZ2  LYS  52           HZ2      LYS  52   9.177 -11.118   7.071
  406    HZ3  LYS  52           HZ3      LYS  52   9.852 -11.862   5.711
  407    H    ASN  53           H        ASN  53   5.405 -16.833   2.962
  408    HA   ASN  53           HA       ASN  53   7.509 -18.716   3.412
  409    HB2  ASN  53           HB2      ASN  53   5.115 -19.309   3.603
  410    HB3  ASN  53           HB1      ASN  53   4.913 -19.013   1.880
  411   HD21  ASN  53          HD21      ASN  53   5.763 -20.452   0.418
  412   HD22  ASN  53          HD22      ASN  53   6.256 -22.050   0.859
  413    H    SER  54           H        SER  54   6.717 -16.567   0.897
  414    HA   SER  54           HA       SER  54   7.979 -18.064  -1.224
  415    HB2  SER  54           HB2      SER  54   7.059 -15.180  -1.125
  416    HB3  SER  54           HB1      SER  54   7.565 -16.048  -2.575
  417    HG   SER  54           HG       SER  54   5.725 -17.519  -1.370
  418    H    VAL  55           H        VAL  55   9.906 -17.483  -2.261
  419    HA   VAL  55           HA       VAL  55  11.939 -16.956  -0.355
  420    HB   VAL  55           HB       VAL  55  12.213 -18.703  -2.012
  421   HG11  VAL  55          HG11      VAL  55  11.002 -17.751  -3.871
  422   HG12  VAL  55          HG12      VAL  55  12.640 -18.172  -4.373
  423   HG13  VAL  55          HG13      VAL  55  12.220 -16.489  -4.053
  424   HG21  VAL  55          HG21      VAL  55  14.197 -16.471  -2.375
  425   HG22  VAL  55          HG22      VAL  55  14.472 -18.165  -2.780
  426   HG23  VAL  55          HG23      VAL  55  14.214 -17.689  -1.102
  427    H    GLY  56           H        GLY  56  10.672 -15.077  -3.122
  428    HA2  GLY  56           HA2      GLY  56  11.959 -12.740  -2.091
  429    HA3  GLY  56           HA1      GLY  56  12.784 -13.355  -3.502
  430    H    ARG  57           H        ARG  57  10.328 -14.174  -4.841
  431    HA   ARG  57           HA       ARG  57  10.004 -11.813  -6.317
  432    HB2  ARG  57           HB2      ARG  57   8.476 -14.392  -6.323
  433    HB3  ARG  57           HB1      ARG  57   8.029 -13.048  -7.362
  434    HG2  ARG  57           HG2      ARG  57  10.323 -13.091  -8.303
  435    HG3  ARG  57           HG1      ARG  57  10.630 -14.551  -7.359
  436    HD2  ARG  57           HD2      ARG  57   8.889 -15.731  -8.517
  437    HD3  ARG  57           HD1      ARG  57   8.388 -14.259  -9.348
  438    HE   ARG  57           HE       ARG  57  11.125 -15.110  -9.795
  439   HH11  ARG  57          HH11      ARG  57   7.820 -15.109 -10.937
  440   HH12  ARG  57          HH12      ARG  57   8.253 -15.468 -12.576
  441   HH21  ARG  57          HH21      ARG  57  11.701 -15.583 -11.943
  442   HH22  ARG  57          HH22      ARG  57  10.467 -15.734 -13.152
  443    H    TRP  58           H        TRP  58   8.788 -10.115  -6.097
  444    HA   TRP  58           HA       TRP  58   6.572 -10.098  -4.196
  445    HB2  TRP  58           HB2      TRP  58   7.871  -7.879  -5.796
  446    HB3  TRP  58           HB1      TRP  58   6.526  -7.644  -4.686
  447    HD1  TRP  58           HD1      TRP  58  10.271  -8.500  -4.703
  448    HE1  TRP  58           HE1      TRP  58  11.227  -8.013  -2.364
  449    HE3  TRP  58           HE3      TRP  58   5.912  -7.423  -2.261
  450    HZ2  TRP  58           HZ2      TRP  58  10.256  -7.268   0.184
  451    HZ3  TRP  58           HZ3      TRP  58   6.010  -6.833   0.126
  452    HH2  TRP  58           HH2      TRP  58   8.139  -6.758   1.321
  453    H    LYS  59           H        LYS  59   4.443  -9.832  -4.780
  454    HA   LYS  59           HA       LYS  59   3.825  -9.864  -7.648
  455    HB2  LYS  59           HB2      LYS  59   2.124 -10.357  -5.199
  456    HB3  LYS  59           HB1      LYS  59   1.463 -10.252  -6.824
  457    HG2  LYS  59           HG2      LYS  59   2.813 -12.170  -7.503
  458    HG3  LYS  59           HG1      LYS  59   3.483 -12.272  -5.874
  459    HD2  LYS  59           HD2      LYS  59   1.364 -12.822  -4.948
  460    HD3  LYS  59           HD1      LYS  59   0.535 -12.439  -6.456
  461    HE2  LYS  59           HE2      LYS  59   0.699 -14.836  -6.191
  462    HE3  LYS  59           HE1      LYS  59   1.691 -14.311  -7.547
  463    HZ1  LYS  59           HZ1      LYS  59   2.892 -15.906  -6.264
  464    HZ2  LYS  59           HZ2      LYS  59   2.643 -15.046  -4.834
  465    HZ3  LYS  59           HZ3      LYS  59   3.631 -14.403  -6.046
  466    H    GLU  60           H        GLU  60   2.885  -8.110  -8.648
  467    HA   GLU  60           HA       GLU  60   2.503  -5.745  -6.938
  468    HB2  GLU  60           HB2      GLU  60   3.921  -5.710  -9.600
  469    HB3  GLU  60           HB1      GLU  60   3.778  -4.389  -8.451
  470    HG2  GLU  60           HG2      GLU  60   5.196  -5.558  -6.880
  471    HG3  GLU  60           HG1      GLU  60   5.280  -6.950  -7.958
  472    H    ALA  61           H        ALA  61   0.692  -4.652  -7.319
  473    HA   ALA  61           HA       ALA  61  -0.507  -4.779 -10.002
  474    HB1  ALA  61           HB1      ALA  61  -2.736  -4.944  -9.025
  475    HB2  ALA  61           HB2      ALA  61  -2.034  -4.994  -7.407
  476    HB3  ALA  61           HB3      ALA  61  -1.736  -6.314  -8.538
  477    H    THR  62           H        THR  62  -1.189  -2.846 -10.783
  478    HA   THR  62           HA       THR  62  -0.846  -0.512  -9.038
  479    HB   THR  62           HB       THR  62  -1.119  -0.606 -12.050
  480    HG1  THR  62           HG1      THR  62   0.940  -1.257 -10.530
  481   HG21  THR  62          HG21      THR  62  -0.317   1.650 -10.206
  482   HG22  THR  62          HG22      THR  62  -1.838   1.529 -11.088
  483   HG23  THR  62          HG23      THR  62  -0.323   1.713 -11.970
  484    H    ILE  63           H        ILE  63  -2.556   0.520  -8.270
  485    HA   ILE  63           HA       ILE  63  -5.160   0.126  -9.595
  486    HB   ILE  63           HB       ILE  63  -4.608   0.879  -6.714
  487   HG12  ILE  63          HG12      ILE  63  -5.899  -1.380  -6.404
  488   HG13  ILE  63          HG11      ILE  63  -5.339  -1.712  -8.037
  489   HG21  ILE  63          HG21      ILE  63  -6.652   1.898  -7.602
  490   HG22  ILE  63          HG22      ILE  63  -7.005   0.681  -6.374
  491   HG23  ILE  63          HG23      ILE  63  -7.231   0.303  -8.081
  492   HD11  ILE  63          HD11      ILE  63  -3.594  -1.100  -5.662
  493   HD12  ILE  63          HD12      ILE  63  -3.030  -1.437  -7.299
  494   HD13  ILE  63          HD13      ILE  63  -3.864  -2.689  -6.379
  495    HA   PRO  64           HA       PRO  64  -5.021   4.469 -10.782
  496    HB2  PRO  64           HB2      PRO  64  -7.965   4.063 -10.503
  497    HB3  PRO  64           HB1      PRO  64  -7.054   4.803 -11.824
  498    HG2  PRO  64           HG2      PRO  64  -8.041   2.338 -12.060
  499    HG3  PRO  64           HG1      PRO  64  -6.458   2.758 -12.734
  500    HD2  PRO  64           HD2      PRO  64  -7.120   1.171 -10.309
  501    HD3  PRO  64           HD1      PRO  64  -5.749   1.015 -11.423
  502    H    GLY  65           H        GLY  65  -5.075   6.328  -9.627
  503    HA2  GLY  65           HA2      GLY  65  -5.094   6.122  -6.831
  504    HA3  GLY  65           HA1      GLY  65  -5.003   7.616  -7.744
  505    H    HIS  66           H        HIS  66  -7.746   6.703  -8.940
  506    HA   HIS  66           HA       HIS  66  -9.282   8.048  -6.894
  507    HB2  HIS  66           HB2      HIS  66 -11.185   7.862  -8.517
  508    HB3  HIS  66           HB1      HIS  66  -9.792   8.751  -9.107
  509    HD1  HIS  66           HD1      HIS  66  -9.023   8.129 -11.361
  510    HD2  HIS  66           HD2      HIS  66 -11.228   5.085  -9.593
  511    HE1  HIS  66           HE1      HIS  66  -9.302   6.379 -13.140
  512    HE2  HIS  66           HE2      HIS  66 -10.786   4.634 -12.102
  513    H    LEU  67           H        LEU  67  -8.394   4.904  -7.353
  514    HA   LEU  67           HA       LEU  67 -10.847   3.875  -6.097
  515    HB2  LEU  67           HB2      LEU  67  -8.495   2.324  -7.178
  516    HB3  LEU  67           HB1      LEU  67  -9.973   1.638  -6.544
  517    HG   LEU  67           HG       LEU  67  -9.658   3.216  -9.086
  518   HD11  LEU  67          HD11      LEU  67 -10.414   0.350  -8.572
  519   HD12  LEU  67          HD12      LEU  67  -8.882   0.925  -9.228
  520   HD13  LEU  67          HD13      LEU  67 -10.369   1.137 -10.148
  521   HD21  LEU  67          HD21      LEU  67 -12.160   2.071  -7.849
  522   HD22  LEU  67          HD22      LEU  67 -12.042   2.802  -9.450
  523   HD23  LEU  67          HD23      LEU  67 -11.776   3.785  -8.010
  524    H    ASN  68           H        ASN  68 -10.787   2.942  -4.087
  525    HA   ASN  68           HA       ASN  68  -8.234   3.128  -2.647
  526    HB2  ASN  68           HB2      ASN  68 -10.941   4.117  -1.768
  527    HB3  ASN  68           HB1      ASN  68  -9.647   3.790  -0.618
  528   HD21  ASN  68          HD21      ASN  68  -7.888   5.129  -0.530
  529   HD22  ASN  68          HD22      ASN  68  -7.806   6.644  -1.365
  530    H    SER  69           H        SER  69  -9.608   0.886  -3.915
  531    HA   SER  69           HA       SER  69  -9.250  -0.976  -1.773
  532    HB2  SER  69           HB2      SER  69 -11.508  -2.036  -2.033
  533    HB3  SER  69           HB1      SER  69 -11.563  -0.430  -1.304
  534    HG   SER  69           HG       SER  69 -11.803   0.132  -3.756
  535    H    TYR  70           H        TYR  70  -8.645  -2.956  -2.543
  536    HA   TYR  70           HA       TYR  70  -9.130  -3.545  -5.377
  537    HB2  TYR  70           HB2      TYR  70  -6.871  -2.605  -5.267
  538    HB3  TYR  70           HB1      TYR  70  -6.433  -3.758  -4.012
  539    HD1  TYR  70           HD1      TYR  70  -5.215  -5.598  -4.676
  540    HD2  TYR  70           HD2      TYR  70  -7.862  -3.797  -7.472
  541    HE1  TYR  70           HE1      TYR  70  -4.491  -7.209  -6.388
  542    HE2  TYR  70           HE2      TYR  70  -7.145  -5.400  -9.194
  543    HH   TYR  70           HH       TYR  70  -5.306  -8.183  -8.465
  544    H    THR  71           H        THR  71  -9.634  -5.618  -5.778
  545    HA   THR  71           HA       THR  71  -9.807  -7.435  -3.516
  546    HB   THR  71           HB       THR  71 -10.704  -7.899  -6.369
  547    HG1  THR  71           HG1      THR  71 -11.705  -6.050  -5.250
  548   HG21  THR  71          HG21      THR  71 -11.501  -9.228  -3.773
  549   HG22  THR  71          HG22      THR  71 -10.484  -9.937  -5.027
  550   HG23  THR  71          HG23      THR  71 -12.179  -9.582  -5.363
  551    H    ILE  72           H        ILE  72  -7.823  -8.284  -3.072
  552    HA   ILE  72           HA       ILE  72  -6.048  -9.161  -5.181
  553    HB   ILE  72           HB       ILE  72  -5.821  -9.637  -2.201
  554   HG12  ILE  72          HG12      ILE  72  -4.554  -7.488  -3.919
  555   HG13  ILE  72          HG11      ILE  72  -5.829  -7.233  -2.733
  556   HG21  ILE  72          HG21      ILE  72  -3.468 -10.088  -2.668
  557   HG22  ILE  72          HG22      ILE  72  -3.760  -9.853  -4.392
  558   HG23  ILE  72          HG23      ILE  72  -4.518 -11.202  -3.545
  559   HD11  ILE  72          HD11      ILE  72  -3.852  -6.567  -1.670
  560   HD12  ILE  72          HD12      ILE  72  -2.961  -7.969  -2.268
  561   HD13  ILE  72          HD13      ILE  72  -4.193  -8.175  -1.024
  562    H    LYS  73           H        LYS  73  -6.310 -11.032  -6.189
  563    HA   LYS  73           HA       LYS  73  -7.693 -13.215  -4.779
  564    HB2  LYS  73           HB2      LYS  73  -7.386 -12.744  -7.753
  565    HB3  LYS  73           HB1      LYS  73  -8.248 -14.087  -7.016
  566    HG2  LYS  73           HG2      LYS  73  -9.836 -12.522  -6.016
  567    HG3  LYS  73           HG1      LYS  73  -8.975 -11.175  -6.761
  568    HD2  LYS  73           HD2      LYS  73  -9.480 -12.073  -8.979
  569    HD3  LYS  73           HD1      LYS  73 -10.325 -13.435  -8.239
  570    HE2  LYS  73           HE2      LYS  73 -11.908 -11.864  -7.206
  571    HE3  LYS  73           HE1      LYS  73 -11.079 -10.525  -7.998
  572    HZ1  LYS  73           HZ1      LYS  73 -11.657 -11.493 -10.138
  573    HZ2  LYS  73           HZ2      LYS  73 -13.042 -11.184  -9.223
  574    HZ3  LYS  73           HZ3      LYS  73 -12.464 -12.765  -9.371
  575    H    GLY  74           H        GLY  74  -6.630 -15.066  -4.396
  576    HA2  GLY  74           HA2      GLY  74  -5.134 -16.808  -5.141
  577    HA3  GLY  74           HA1      GLY  74  -4.135 -15.567  -5.885
  578    H    LEU  75           H        LEU  75  -5.451 -15.129  -2.696
  579    HA   LEU  75           HA       LEU  75  -2.772 -15.211  -1.561
  580    HB2  LEU  75           HB2      LEU  75  -5.455 -14.499  -0.374
  581    HB3  LEU  75           HB1      LEU  75  -3.969 -14.532   0.551
  582    HG   LEU  75           HG       LEU  75  -4.640 -12.670  -1.723
  583   HD11  LEU  75          HD11      LEU  75  -4.402 -10.951   0.001
  584   HD12  LEU  75          HD12      LEU  75  -4.140 -12.212   1.206
  585   HD13  LEU  75          HD13      LEU  75  -5.690 -12.093   0.375
  586   HD21  LEU  75          HD21      LEU  75  -2.453 -11.631  -1.264
  587   HD22  LEU  75          HD22      LEU  75  -2.304 -13.270  -1.894
  588   HD23  LEU  75          HD23      LEU  75  -2.072 -12.963  -0.173
  589    H    LYS  76           H        LYS  76  -2.704 -16.294   0.724
  590    HA   LYS  76           HA       LYS  76  -4.132 -18.858   0.612
  591    HB2  LYS  76           HB2      LYS  76  -1.249 -18.435   1.418
  592    HB3  LYS  76           HB1      LYS  76  -2.116 -19.960   1.501
  593    HG2  LYS  76           HG2      LYS  76  -2.399 -19.901  -0.944
  594    HG3  LYS  76           HG1      LYS  76  -1.458 -18.411  -0.994
  595    HD2  LYS  76           HD2      LYS  76   0.459 -19.578  -0.039
  596    HD3  LYS  76           HD1      LYS  76  -0.479 -21.068   0.047
  597    HE2  LYS  76           HE2      LYS  76   0.235 -19.569  -2.468
  598    HE3  LYS  76           HE1      LYS  76   1.008 -21.044  -1.894
  599    HZ1  LYS  76           HZ1      LYS  76  -1.793 -20.726  -2.819
  600    HZ2  LYS  76           HZ2      LYS  76  -1.218 -22.118  -2.049
  601    HZ3  LYS  76           HZ3      LYS  76  -0.566 -21.647  -3.536
  602    HA   PRO  77           HA       PRO  77  -5.371 -17.457   4.665
  603    HB2  PRO  77           HB2      PRO  77  -6.674 -19.756   5.374
  604    HB3  PRO  77           HB1      PRO  77  -7.381 -18.502   4.350
  605    HG2  PRO  77           HG2      PRO  77  -6.114 -21.093   3.575
  606    HG3  PRO  77           HG1      PRO  77  -7.555 -20.307   2.908
  607    HD2  PRO  77           HD2      PRO  77  -5.152 -20.234   1.672
  608    HD3  PRO  77           HD1      PRO  77  -6.320 -18.902   1.567
  609    H    GLY  78           H        GLY  78  -4.113 -17.422   6.384
  610    HA2  GLY  78           HA2      GLY  78  -3.010 -18.341   8.245
  611    HA3  GLY  78           HA1      GLY  78  -2.971 -19.894   7.425
  612    H    VAL  79           H        VAL  79  -2.017 -17.701   5.195
  613    HA   VAL  79           HA       VAL  79   0.821 -18.076   5.869
  614    HB   VAL  79           HB       VAL  79  -0.450 -17.586   3.166
  615   HG11  VAL  79          HG11      VAL  79   1.748 -16.553   3.292
  616   HG12  VAL  79          HG12      VAL  79   1.792 -17.981   2.257
  617   HG13  VAL  79          HG13      VAL  79   2.435 -18.061   3.897
  618   HG21  VAL  79          HG21      VAL  79   0.333 -19.853   2.646
  619   HG22  VAL  79          HG22      VAL  79  -0.845 -19.842   3.961
  620   HG23  VAL  79          HG23      VAL  79   0.872 -20.037   4.315
  621    H    VAL  80           H        VAL  80   1.784 -16.333   6.623
  622    HA   VAL  80           HA       VAL  80   0.642 -13.721   6.429
  623    HB   VAL  80           HB       VAL  80   3.435 -14.464   7.328
  624   HG11  VAL  80          HG11      VAL  80   1.735 -12.051   7.947
  625   HG12  VAL  80          HG12      VAL  80   3.131 -12.088   6.869
  626   HG13  VAL  80          HG13      VAL  80   3.341 -12.383   8.593
  627   HG21  VAL  80          HG21      VAL  80   1.723 -15.719   8.580
  628   HG22  VAL  80          HG22      VAL  80   0.956 -14.193   9.022
  629   HG23  VAL  80          HG23      VAL  80   2.584 -14.556   9.589
  630    H    TYR  81           H        TYR  81   1.171 -12.075   5.036
  631    HA   TYR  81           HA       TYR  81   3.545 -12.475   3.362
  632    HB2  TYR  81           HB2      TYR  81   2.440 -11.613   1.404
  633    HB3  TYR  81           HB1      TYR  81   1.514 -12.968   2.026
  634    HD1  TYR  81           HD1      TYR  81  -0.762 -12.727   2.527
  635    HD2  TYR  81           HD2      TYR  81   1.604  -9.256   1.864
  636    HE1  TYR  81           HE1      TYR  81  -2.795 -11.354   2.446
  637    HE2  TYR  81           HE2      TYR  81  -0.428  -7.875   1.792
  638    HH   TYR  81           HH       TYR  81  -2.827  -8.162   1.323
  639    H    GLU  82           H        GLU  82   4.402 -10.491   2.435
  640    HA   GLU  82           HA       GLU  82   4.049  -8.208   4.254
  641    HB2  GLU  82           HB2      GLU  82   6.199  -8.770   2.194
  642    HB3  GLU  82           HB1      GLU  82   6.166  -7.390   3.278
  643    HG2  GLU  82           HG2      GLU  82   6.472  -8.808   5.186
  644    HG3  GLU  82           HG1      GLU  82   6.325 -10.252   4.186
  645    H    GLY  83           H        GLY  83   2.589  -6.768   3.550
  646    HA2  GLY  83           HA2      GLY  83   2.325  -6.390   0.637
  647    HA3  GLY  83           HA1      GLY  83   1.042  -6.102   1.804
  648    H    GLN  84           H        GLN  84   2.750  -4.508  -0.260
  649    HA   GLN  84           HA       GLN  84   3.173  -2.188   1.506
  650    HB2  GLN  84           HB2      GLN  84   4.656  -2.893  -1.032
  651    HB3  GLN  84           HB1      GLN  84   4.909  -1.443  -0.072
  652    HG2  GLN  84           HG2      GLN  84   5.591  -2.876   1.824
  653    HG3  GLN  84           HG1      GLN  84   5.448  -4.279   0.768
  654   HE21  GLN  84          HE21      GLN  84   6.949  -4.598  -0.844
  655   HE22  GLN  84          HE22      GLN  84   8.451  -3.739  -0.899
  656    H    LEU  85           H        LEU  85   1.786  -0.612   1.142
  657    HA   LEU  85           HA       LEU  85   0.571  -0.365  -1.522
  658    HB2  LEU  85           HB2      LEU  85  -0.894  -0.680   0.503
  659    HB3  LEU  85           HB1      LEU  85  -0.319   0.861   1.095
  660    HG   LEU  85           HG       LEU  85  -2.619   0.782  -0.038
  661   HD11  LEU  85          HD11      LEU  85  -0.612   2.772  -1.068
  662   HD12  LEU  85          HD12      LEU  85  -1.411   2.848   0.502
  663   HD13  LEU  85          HD13      LEU  85  -2.361   2.982  -0.976
  664   HD21  LEU  85          HD21      LEU  85  -2.676   0.925  -2.433
  665   HD22  LEU  85          HD22      LEU  85  -1.863  -0.570  -1.976
  666   HD23  LEU  85          HD23      LEU  85  -0.920   0.814  -2.526
  667    H    ILE  86           H        ILE  86   1.875   0.917  -2.703
  668    HA   ILE  86           HA       ILE  86   3.131   3.245  -1.439
  669    HB   ILE  86           HB       ILE  86   3.546   2.363  -4.300
  670   HG12  ILE  86          HG12      ILE  86   5.793   1.479  -3.252
  671   HG13  ILE  86          HG11      ILE  86   4.831   1.353  -1.787
  672   HG21  ILE  86          HG21      ILE  86   5.590   3.654  -4.149
  673   HG22  ILE  86          HG22      ILE  86   5.283   3.990  -2.445
  674   HG23  ILE  86          HG23      ILE  86   4.217   4.660  -3.683
  675   HD11  ILE  86          HD11      ILE  86   3.290  -0.152  -2.912
  676   HD12  ILE  86          HD12      ILE  86   4.942  -0.760  -2.988
  677   HD13  ILE  86          HD13      ILE  86   4.218   0.002  -4.403
  678    H    SER  87           H        SER  87   2.099   5.121  -1.523
  679    HA   SER  87           HA       SER  87   0.074   5.517  -3.603
  680    HB2  SER  87           HB2      SER  87   0.621   7.195  -1.161
  681    HB3  SER  87           HB1      SER  87  -0.802   7.266  -2.194
  682    HG   SER  87           HG       SER  87  -0.142   4.819  -1.028
  683    H    ILE  88           H        ILE  88   0.581   6.650  -5.342
  684    HA   ILE  88           HA       ILE  88   2.924   8.411  -5.263
  685    HB   ILE  88           HB       ILE  88   1.360   7.556  -7.699
  686   HG12  ILE  88          HG12      ILE  88   2.223   5.559  -6.560
  687   HG13  ILE  88          HG11      ILE  88   3.083   5.848  -8.065
  688   HG21  ILE  88          HG21      ILE  88   3.389   8.176  -8.901
  689   HG22  ILE  88          HG22      ILE  88   4.153   8.646  -7.383
  690   HG23  ILE  88          HG23      ILE  88   2.752   9.536  -7.978
  691   HD11  ILE  88          HD11      ILE  88   4.579   5.146  -6.282
  692   HD12  ILE  88          HD12      ILE  88   4.089   6.537  -5.316
  693   HD13  ILE  88          HD13      ILE  88   4.956   6.777  -6.832
  694    H    GLN  89           H        GLN  89   2.340  10.404  -4.594
  695    HA   GLN  89           HA       GLN  89  -0.151  11.627  -5.336
  696    HB2  GLN  89           HB2      GLN  89   2.341  12.680  -4.009
  697    HB3  GLN  89           HB1      GLN  89   0.959  13.701  -4.368
  698    HG2  GLN  89           HG2      GLN  89  -0.444  12.276  -2.944
  699    HG3  GLN  89           HG1      GLN  89   0.972  11.295  -2.561
  700   HE21  GLN  89          HE21      GLN  89   0.738  11.814  -0.348
  701   HE22  GLN  89          HE22      GLN  89   1.203  13.367   0.268
  702    H    GLN  90           H        GLN  90  -0.336  13.604  -6.561
  703    HA   GLN  90           HA       GLN  90   0.993  13.475  -9.063
  704    HB2  GLN  90           HB2      GLN  90  -0.335  15.349  -9.703
  705    HB3  GLN  90           HB1      GLN  90  -1.341  14.343  -8.672
  706    HG2  GLN  90           HG2      GLN  90  -1.014  15.836  -6.814
  707    HG3  GLN  90           HG1      GLN  90   0.132  16.799  -7.743
  708   HE21  GLN  90          HE21      GLN  90  -2.298  17.675  -6.473
  709   HE22  GLN  90          HE22      GLN  90  -3.303  18.321  -7.722
  710    H    TYR  91           H        TYR  91   1.903  14.793  -6.120
  711    HA   TYR  91           HA       TYR  91   3.579  16.903  -7.182
  712    HB2  TYR  91           HB2      TYR  91   3.292  15.752  -4.397
  713    HB3  TYR  91           HB1      TYR  91   4.350  17.096  -4.804
  714    HD1  TYR  91           HD1      TYR  91   0.783  16.041  -4.793
  715    HD2  TYR  91           HD2      TYR  91   3.534  19.287  -4.819
  716    HE1  TYR  91           HE1      TYR  91  -1.070  17.608  -4.402
  717    HE2  TYR  91           HE2      TYR  91   1.687  20.862  -4.432
  718    HH   TYR  91           HH       TYR  91  -1.463  19.823  -3.549
  719    H    GLY  92           H        GLY  92   3.779  13.620  -7.120
  720    HA2  GLY  92           HA2      GLY  92   5.614  12.291  -7.697
  721    HA3  GLY  92           HA1      GLY  92   6.681  13.643  -7.340
  722    H    HIS  93           H        HIS  93   4.661  13.530  -4.821
  723    HA   HIS  93           HA       HIS  93   6.587  12.487  -3.015
  724    HB2  HIS  93           HB2      HIS  93   4.894  14.276  -2.497
  725    HB3  HIS  93           HB1      HIS  93   3.651  13.036  -2.510
  726    HD1  HIS  93           HD1      HIS  93   6.111  14.651  -0.350
  727    HD2  HIS  93           HD2      HIS  93   3.942  11.105  -0.346
  728    HE1  HIS  93           HE1      HIS  93   6.205  13.803   2.015
  729    HE2  HIS  93           HE2      HIS  93   4.886  11.651   2.005
  730    H    GLN  94           H        GLN  94   6.973  10.407  -2.587
  731    HA   GLN  94           HA       GLN  94   4.795   8.464  -3.017
  732    HB2  GLN  94           HB2      GLN  94   7.770   7.970  -3.241
  733    HB3  GLN  94           HB1      GLN  94   6.496   6.800  -3.551
  734    HG2  GLN  94           HG2      GLN  94   5.734   8.103  -5.447
  735    HG3  GLN  94           HG1      GLN  94   6.957   9.322  -5.116
  736   HE21  GLN  94          HE21      GLN  94   6.567   7.749  -7.512
  737   HE22  GLN  94          HE22      GLN  94   8.038   6.884  -7.772
  738    H    GLU  95           H        GLU  95   4.123   7.441  -1.251
  739    HA   GLU  95           HA       GLU  95   6.089   6.844   0.826
  740    HB2  GLU  95           HB2      GLU  95   3.632   8.432   1.152
  741    HB3  GLU  95           HB1      GLU  95   3.866   7.172   2.359
  742    HG2  GLU  95           HG2      GLU  95   6.128   8.067   2.798
  743    HG3  GLU  95           HG1      GLU  95   5.805   9.367   1.654
  744    H    VAL  96           H        VAL  96   5.864   4.916   1.835
  745    HA   VAL  96           HA       VAL  96   4.031   3.070   0.466
  746    HB   VAL  96           HB       VAL  96   6.662   2.428   1.803
  747   HG11  VAL  96          HG11      VAL  96   5.205   0.524   1.778
  748   HG12  VAL  96          HG12      VAL  96   6.452   0.295   0.552
  749   HG13  VAL  96          HG13      VAL  96   4.826   0.780   0.076
  750   HG21  VAL  96          HG21      VAL  96   7.505   2.138  -0.529
  751   HG22  VAL  96          HG22      VAL  96   7.135   3.804  -0.090
  752   HG23  VAL  96          HG23      VAL  96   6.018   2.894  -1.107
  753    H    THR  97           H        THR  97   2.351   2.608   1.717
  754    HA   THR  97           HA       THR  97   2.683   2.352   4.603
  755    HB   THR  97           HB       THR  97   0.173   1.998   2.951
  756    HG1  THR  97           HG1      THR  97   0.063   4.259   4.257
  757   HG21  THR  97          HG21      THR  97  -0.970   2.430   5.078
  758   HG22  THR  97          HG22      THR  97   0.591   2.531   5.894
  759   HG23  THR  97          HG23      THR  97   0.063   1.006   5.182
  760    H    ARG  98           H        ARG  98   3.437   0.449   5.293
  761    HA   ARG  98           HA       ARG  98   2.943  -1.934   3.672
  762    HB2  ARG  98           HB2      ARG  98   4.807  -1.604   6.024
  763    HB3  ARG  98           HB1      ARG  98   4.762  -2.952   4.896
  764    HG2  ARG  98           HG2      ARG  98   5.434  -1.452   3.084
  765    HG3  ARG  98           HG1      ARG  98   5.495  -0.110   4.224
  766    HD2  ARG  98           HD2      ARG  98   7.170  -2.613   4.355
  767    HD3  ARG  98           HD1      ARG  98   7.716  -1.036   3.787
  768    HE   ARG  98           HE       ARG  98   6.646  -0.935   6.439
  769   HH11  ARG  98          HH11      ARG  98   9.493  -1.690   4.556
  770   HH12  ARG  98          HH12      ARG  98  10.591  -1.416   5.870
  771   HH21  ARG  98          HH21      ARG  98   8.092  -0.554   8.173
  772   HH22  ARG  98          HH22      ARG  98   9.795  -0.776   7.927
  773    H    PHE  99           H        PHE  99   1.922  -3.720   4.401
  774    HA   PHE  99           HA       PHE  99   0.928  -3.795   7.145
  775    HB2  PHE  99           HB2      PHE  99  -1.376  -4.119   6.480
  776    HB3  PHE  99           HB1      PHE  99  -0.803  -2.612   5.779
  777    HD1  PHE  99           HD1      PHE  99  -0.074  -2.647   3.328
  778    HD2  PHE  99           HD2      PHE  99  -2.315  -5.776   5.147
  779    HE1  PHE  99           HE1      PHE  99  -0.801  -3.414   1.107
  780    HE2  PHE  99           HE2      PHE  99  -3.040  -6.550   2.929
  781    HZ   PHE  99           HZ       PHE  99  -2.284  -5.369   0.904
  782    H    ASP 100           H        ASP 100  -0.265  -5.943   7.495
  783    HA   ASP 100           HA       ASP 100   0.747  -8.047   5.722
  784    HB2  ASP 100           HB2      ASP 100   1.458  -9.422   7.600
  785    HB3  ASP 100           HB1      ASP 100   2.305  -7.880   7.643
  786    H    PHE 101           H        PHE 101  -0.403 -10.060   5.928
  787    HA   PHE 101           HA       PHE 101  -2.915  -9.990   7.394
  788    HB2  PHE 101           HB2      PHE 101  -3.593  -9.097   5.247
  789    HB3  PHE 101           HB1      PHE 101  -2.738 -10.378   4.395
  790    HD1  PHE 101           HD1      PHE 101  -3.953 -12.185   3.636
  791    HD2  PHE 101           HD2      PHE 101  -5.436  -9.949   6.938
  792    HE1  PHE 101           HE1      PHE 101  -5.990 -13.559   3.640
  793    HE2  PHE 101           HE2      PHE 101  -7.479 -11.322   6.952
  794    HZ   PHE 101           HZ       PHE 101  -7.755 -13.130   5.302
  795    H    THR 102           H        THR 102  -3.701 -11.998   7.905
  796    HA   THR 102           HA       THR 102  -2.762 -14.413   6.756
  797    HB   THR 102           HB       THR 102  -0.757 -13.902   8.087
  798    HG1  THR 102           HG1      THR 102  -1.030 -15.865   9.577
  799   HG21  THR 102          HG21      THR 102  -2.623 -13.913  10.463
  800   HG22  THR 102          HG22      THR 102  -1.781 -12.506   9.813
  801   HG23  THR 102          HG23      THR 102  -0.864 -13.827  10.536
  802    H    THR 103           H        THR 103  -3.507 -16.285   8.313
  803    HA   THR 103           HA       THR 103  -6.085 -15.482   9.494
  804    HB   THR 103           HB       THR 103  -5.626 -18.185   8.244
  805    HG1  THR 103           HG1      THR 103  -6.335 -15.734   6.978
  806   HG21  THR 103          HG21      THR 103  -8.063 -18.123   7.969
  807   HG22  THR 103          HG22      THR 103  -8.106 -16.505   8.671
  808   HG23  THR 103          HG23      THR 103  -7.614 -17.882   9.658
  809    H    THR 104           H        THR 104  -3.130 -16.318  10.289
  810    HA   THR 104           HA       THR 104  -3.630 -18.463  12.153
  811    HB   THR 104           HB       THR 104  -1.229 -17.813  12.894
  812    HG1  THR 104           HG1      THR 104  -0.448 -16.117  11.914
  813   HG21  THR 104          HG21      THR 104  -0.256 -19.046  11.014
  814   HG22  THR 104          HG22      THR 104  -1.743 -18.818  10.093
  815   HG23  THR 104          HG23      THR 104  -1.756 -19.796  11.559
  816    H    SER 105           H        SER 105  -5.428 -16.995  13.040
  817    HA   SER 105           HA       SER 105  -4.307 -15.506  15.318
  818    HB2  SER 105           HB2      SER 105  -5.396 -14.013  13.616
  819    HB3  SER 105           HB1      SER 105  -6.910 -14.871  13.898
  820    HG   SER 105           HG       SER 105  -6.834 -14.174  16.066
  821    H    THR 106           H        THR 106  -4.567 -18.056  15.739
  822    HA   THR 106           HA       THR 106  -7.233 -18.750  16.623
  823    HB   THR 106           HB       THR 106  -4.666 -20.315  16.959
  824    HG1  THR 106           HG1      THR 106  -6.623 -20.317  14.878
  825   HG21  THR 106          HG21      THR 106  -7.558 -21.189  17.021
  826   HG22  THR 106          HG22      THR 106  -6.498 -21.043  18.422
  827   HG23  THR 106          HG23      THR 106  -6.152 -22.244  17.180
  828    H    SER 107           H        SER 107  -4.038 -18.220  18.122
  829    HA   SER 107           HA       SER 107  -5.178 -18.326  20.769
  830    HB2  SER 107           HB2      SER 107  -2.872 -19.123  20.342
  831    HB3  SER 107           HB1      SER 107  -2.401 -17.485  19.894
  832    HG   SER 107           HG       SER 107  -2.382 -16.916  21.935
  833    H    THR 108           H        THR 108  -4.045 -15.882  18.506
  834    HA   THR 108           HA       THR 108  -4.494 -13.703  20.304
  835    HB   THR 108           HB       THR 108  -4.246 -12.304  18.213
  836    HG1  THR 108           HG1      THR 108  -4.847 -13.681  16.586
  837   HG21  THR 108          HG21      THR 108  -1.851 -12.757  17.970
  838   HG22  THR 108          HG22      THR 108  -2.061 -14.310  18.778
  839   HG23  THR 108          HG23      THR 108  -2.339 -12.812  19.664
  840    HA   PRO 109           HA       PRO 109  -8.930 -13.540  19.811
  841    HB2  PRO 109           HB2      PRO 109  -8.579 -10.728  20.666
  842    HB3  PRO 109           HB1      PRO 109  -9.565 -12.005  21.384
  843    HG2  PRO 109           HG2      PRO 109  -7.315 -11.177  22.557
  844    HG3  PRO 109           HG1      PRO 109  -7.793 -12.885  22.577
  845    HD2  PRO 109           HD2      PRO 109  -5.743 -11.510  20.886
  846    HD3  PRO 109           HD1      PRO 109  -5.682 -13.106  21.662
  847    H    GLY 110           H        GLY 110  -9.623 -13.448  17.762
  848    HA2  GLY 110           HA2      GLY 110  -8.720 -11.430  15.916
  849    HA3  GLY 110           HA1      GLY 110  -9.897 -12.694  15.590
  850    H    SER 111           H        SER 111 -10.512 -10.865  18.385
  851    HA   SER 111           HA       SER 111 -12.889  -9.755  17.219
  852    HB2  SER 111           HB2      SER 111 -13.194  -8.876  19.594
  853    HB3  SER 111           HB1      SER 111 -13.127 -10.630  19.413
  854    HG   SER 111           HG       SER 111 -11.800  -9.958  21.122
  855    H    ARG 112           H        ARG 112  -9.766  -8.752  17.150
  856    HA   ARG 112           HA       ARG 112 -10.252  -5.931  17.593
  857    HB2  ARG 112           HB2      ARG 112  -7.935  -5.587  17.003
  858    HB3  ARG 112           HB1      ARG 112  -8.045  -6.936  18.120
  859    HG2  ARG 112           HG2      ARG 112  -7.687  -8.513  16.363
  860    HG3  ARG 112           HG1      ARG 112  -7.820  -7.252  15.135
  861    HD2  ARG 112           HD2      ARG 112  -5.808  -6.173  16.051
  862    HD3  ARG 112           HD1      ARG 112  -5.668  -7.465  17.241
  863    HE   ARG 112           HE       ARG 112  -5.687  -8.804  14.894
  864   HH11  ARG 112          HH11      ARG 112  -3.785  -6.107  16.088
  865   HH12  ARG 112          HH12      ARG 112  -2.392  -6.510  15.137
  866   HH21  ARG 112          HH21      ARG 112  -3.849  -9.325  13.640
  867   HH22  ARG 112          HH22      ARG 112  -2.427  -8.339  13.749
  868    H    SER 113           H        SER 113 -11.491  -7.727  15.416
  869    HA   SER 113           HA       SER 113 -10.685  -6.430  12.967
  870    HB2  SER 113           HB2      SER 113 -12.712  -7.858  12.128
  871    HB3  SER 113           HB1      SER 113 -11.223  -8.669  12.613
  872    HG   SER 113           HG       SER 113 -12.245  -9.575  14.212
  873    H    HIS 114           H        HIS 114 -11.427  -4.448  14.540
  874    HA   HIS 114           HA       HIS 114 -14.053  -3.643  13.480
  875    HB2  HIS 114           HB2      HIS 114 -12.893  -3.019  16.203
  876    HB3  HIS 114           HB1      HIS 114 -14.317  -2.228  15.539
  877    HD1  HIS 114           HD1      HIS 114 -13.605  -4.648  17.901
  878    HD2  HIS 114           HD2      HIS 114 -16.197  -4.573  14.654
  879    HE1  HIS 114           HE1      HIS 114 -15.325  -6.418  18.370
  880    HE2  HIS 114           HE2      HIS 114 -16.992  -6.206  16.494
  881    H    HIS 115           H        HIS 115 -11.795  -3.233  12.048
  882    HA   HIS 115           HA       HIS 115 -10.972  -0.471  12.617
  883    HB2  HIS 115           HB2      HIS 115  -9.327  -2.493  12.230
  884    HB3  HIS 115           HB1      HIS 115  -9.662  -2.178  10.531
  885    HD1  HIS 115           HD1      HIS 115  -7.677  -0.997  13.386
  886    HD2  HIS 115           HD2      HIS 115  -8.824   0.452   9.660
  887    HE1  HIS 115           HE1      HIS 115  -6.159   0.952  12.917
  888    HE2  HIS 115           HE2      HIS 115  -6.979   1.905  10.739
  889    H    HIS 116           H        HIS 116 -13.541  -1.106  11.488
  890    HA   HIS 116           HA       HIS 116 -13.258  -0.161   8.720
  891    HB2  HIS 116           HB2      HIS 116 -15.604  -1.413  10.154
  892    HB3  HIS 116           HB1      HIS 116 -15.691  -0.756   8.527
  893    HD1  HIS 116           HD1      HIS 116 -15.226  -3.844  10.233
  894    HD2  HIS 116           HD2      HIS 116 -13.669  -2.146   6.774
  895    HE1  HIS 116           HE1      HIS 116 -14.338  -5.763   8.880
  896    HE2  HIS 116           HE2      HIS 116 -13.560  -4.733   6.713
  897    H    HIS 117           H        HIS 117 -14.261   0.790  11.865
  898    HA   HIS 117           HA       HIS 117 -15.555   3.196  10.764
  899    HB2  HIS 117           HB2      HIS 117 -15.803   1.952  13.507
  900    HB3  HIS 117           HB1      HIS 117 -16.530   3.481  13.043
  901    HD1  HIS 117           HD1      HIS 117 -17.891   0.631  13.912
  902    HD2  HIS 117           HD2      HIS 117 -17.835   2.442  10.169
  903    HE1  HIS 117           HE1      HIS 117 -19.889  -0.276  12.693
  904    HE2  HIS 117           HE2      HIS 117 -19.796   0.768  10.403
  905    H    HIS 118           H        HIS 118 -14.271   4.936  10.744
  906    HA   HIS 118           HA       HIS 118 -12.158   5.219  12.717
  907    HB2  HIS 118           HB2      HIS 118 -13.029   6.881  10.365
  908    HB3  HIS 118           HB1      HIS 118 -11.895   7.511  11.550
  909    HD1  HIS 118           HD1      HIS 118 -11.787   6.143   8.367
  910    HD2  HIS 118           HD2      HIS 118  -9.736   5.269  11.875
  911    HE1  HIS 118           HE1      HIS 118  -9.680   4.981   7.645
  912    HE2  HIS 118           HE2      HIS 118  -8.533   4.326   9.790
  913    H    HIS 119           H        HIS 119 -15.414   6.167  12.221
  914    HA   HIS 119           HA       HIS 119 -15.296   7.730  14.715
  915    HB2  HIS 119           HB2      HIS 119 -17.157   8.039  12.350
  916    HB3  HIS 119           HB1      HIS 119 -17.445   8.799  13.911
  917    HD1  HIS 119           HD1      HIS 119 -16.092   9.557  10.729
  918    HD2  HIS 119           HD2      HIS 119 -14.997  10.453  14.639
  919    HE1  HIS 119           HE1      HIS 119 -14.588  11.567  10.570
  920    HE2  HIS 119           HE2      HIS 119 -13.807  11.980  12.928
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  15.768  15.842   2.754
    2    H2   GLY   1           HT2      GLY   1  15.574  17.519   2.788
    3    H3   GLY   1           HT3      GLY   1  14.641  16.583   1.736
    4    HA2  GLY   1           HA1      GLY   1  13.537  15.527   3.600
    5    HA3  GLY   1           HA2      GLY   1  14.518  16.487   4.697
    6    H    SER   2           H        SER   2  12.318  16.914   1.927
    7    HA   SER   2           HA       SER   2  11.039  19.092   3.413
    8    HB2  SER   2           HB2      SER   2  10.838  20.348   1.230
    9    HB3  SER   2           HB1      SER   2  12.472  20.244   1.886
   10    HG   SER   2           HG       SER   2  11.650  19.496  -0.499
   11    H    GLN   3           H        GLN   3  10.785  16.335   1.416
   12    HA   GLN   3           HA       GLN   3   8.151  16.941   0.424
   13    HB2  GLN   3           HB2      GLN   3   9.771  14.393   0.310
   14    HB3  GLN   3           HB1      GLN   3   8.224  14.634  -0.491
   15    HG2  GLN   3           HG2      GLN   3   9.230  16.505  -1.762
   16    HG3  GLN   3           HG1      GLN   3  10.785  16.116  -1.032
   17   HE21  GLN   3          HE21      GLN   3  11.735  15.645  -2.997
   18   HE22  GLN   3          HE22      GLN   3  11.345  14.226  -3.905
   19    H    THR   4           H        THR   4   9.474  15.396   3.214
   20    HA   THR   4           HA       THR   4   7.068  13.879   3.750
   21    HB   THR   4           HB       THR   4   8.342  13.423   5.967
   22    HG1  THR   4           HG1      THR   4   9.894  15.119   5.650
   23   HG21  THR   4          HG21      THR   4   8.055  11.768   4.200
   24   HG22  THR   4          HG22      THR   4   9.688  11.684   4.861
   25   HG23  THR   4          HG23      THR   4   9.405  12.468   3.307
   26    H    THR   5           H        THR   5   6.605  16.658   3.599
   27    HA   THR   5           HA       THR   5   6.384  17.757   6.230
   28    HB   THR   5           HB       THR   5   4.785  19.368   4.987
   29    HG1  THR   5           HG1      THR   5   5.210  19.277   2.659
   30   HG21  THR   5          HG21      THR   5   6.672  20.565   3.970
   31   HG22  THR   5          HG22      THR   5   7.665  19.114   4.110
   32   HG23  THR   5          HG23      THR   5   7.094  19.936   5.562
   33    H    ALA   6           H        ALA   6   3.768  17.121   3.915
   34    HA   ALA   6           HA       ALA   6   2.277  15.758   6.063
   35    HB1  ALA   6           HB1      ALA   6   1.097  17.614   3.995
   36    HB2  ALA   6           HB2      ALA   6   1.351  18.008   5.695
   37    HB3  ALA   6           HB3      ALA   6   0.208  16.743   5.244
   38    HA   PRO   7           HA       PRO   7   2.917  13.025   2.386
   39    HB2  PRO   7           HB2      PRO   7   2.969  10.930   4.449
   40    HB3  PRO   7           HB1      PRO   7   4.163  11.311   3.206
   41    HG2  PRO   7           HG2      PRO   7   4.622  11.824   5.799
   42    HG3  PRO   7           HG1      PRO   7   5.220  12.892   4.515
   43    HD2  PRO   7           HD2      PRO   7   2.827  13.222   6.291
   44    HD3  PRO   7           HD1      PRO   7   4.031  14.428   5.789
   45    H    ASP   8           H        ASP   8   1.423  11.836   1.316
   46    HA   ASP   8           HA       ASP   8  -1.199  11.571   2.555
   47    HB2  ASP   8           HB2      ASP   8  -0.195  11.428  -0.270
   48    HB3  ASP   8           HB1      ASP   8  -1.758  10.730   0.139
   49    H    ALA   9           H        ALA   9   0.304   9.929   3.866
   50    HA   ALA   9           HA       ALA   9   0.190   7.277   2.649
   51    HB1  ALA   9           HB1      ALA   9   1.358   8.143   5.289
   52    HB2  ALA   9           HB2      ALA   9   2.258   7.931   3.789
   53    HB3  ALA   9           HB3      ALA   9   1.497   6.543   4.564
   54    HA   PRO  10           HA       PRO  10  -3.816   6.549   4.552
   55    HB2  PRO  10           HB2      PRO  10  -2.896   3.764   3.994
   56    HB3  PRO  10           HB1      PRO  10  -4.442   4.532   3.618
   57    HG2  PRO  10           HG2      PRO  10  -2.653   4.131   1.701
   58    HG3  PRO  10           HG1      PRO  10  -3.590   5.637   1.757
   59    HD2  PRO  10           HD2      PRO  10  -0.754   5.150   2.534
   60    HD3  PRO  10           HD1      PRO  10  -1.469   6.549   1.752
   61    HA   PRO  11           HA       PRO  11  -2.407   5.903   8.682
   62    HB2  PRO  11           HB2      PRO  11  -4.862   5.264   9.769
   63    HB3  PRO  11           HB1      PRO  11  -4.291   6.907   9.468
   64    HG2  PRO  11           HG2      PRO  11  -6.112   5.202   7.825
   65    HG3  PRO  11           HG1      PRO  11  -6.210   6.937   8.178
   66    HD2  PRO  11           HD2      PRO  11  -5.307   6.032   5.823
   67    HD3  PRO  11           HD1      PRO  11  -4.617   7.478   6.588
   68    H    ASP  12           H        ASP  12  -4.535   3.480   7.207
   69    HA   ASP  12           HA       ASP  12  -2.835   1.338   7.950
   70    HB2  ASP  12           HB2      ASP  12  -3.863   1.736  10.162
   71    HB3  ASP  12           HB1      ASP  12  -5.458   1.517   9.450
   72    HA   PRO  13           HA       PRO  13  -5.358  -0.096   4.476
   73    HB2  PRO  13           HB2      PRO  13  -3.293  -2.192   4.400
   74    HB3  PRO  13           HB1      PRO  13  -3.785  -1.062   3.134
   75    HG2  PRO  13           HG2      PRO  13  -1.418  -0.833   4.378
   76    HG3  PRO  13           HG1      PRO  13  -2.345   0.592   3.865
   77    HD2  PRO  13           HD2      PRO  13  -2.116  -0.637   6.591
   78    HD3  PRO  13           HD1      PRO  13  -2.068   1.076   6.124
   79    H    THR  14           H        THR  14  -7.105  -1.174   5.045
   80    HA   THR  14           HA       THR  14  -6.922  -3.277   7.081
   81    HB   THR  14           HB       THR  14  -9.429  -1.973   6.021
   82    HG1  THR  14           HG1      THR  14  -7.546  -0.704   7.258
   83   HG21  THR  14          HG21      THR  14  -8.817  -3.398   8.614
   84   HG22  THR  14          HG22      THR  14  -9.742  -4.059   7.266
   85   HG23  THR  14          HG23      THR  14 -10.366  -2.681   8.173
   86    H    VAL  15           H        VAL  15  -7.352  -5.357   6.590
   87    HA   VAL  15           HA       VAL  15  -8.261  -5.960   3.877
   88    HB   VAL  15           HB       VAL  15  -7.036  -7.740   5.993
   89   HG11  VAL  15          HG11      VAL  15  -6.994  -9.477   4.235
   90   HG12  VAL  15          HG12      VAL  15  -7.960  -8.421   3.204
   91   HG13  VAL  15          HG13      VAL  15  -8.633  -9.034   4.714
   92   HG21  VAL  15          HG21      VAL  15  -5.164  -7.877   4.403
   93   HG22  VAL  15          HG22      VAL  15  -5.450  -6.221   4.936
   94   HG23  VAL  15          HG23      VAL  15  -5.992  -6.742   3.339
   95    H    ASP  16           H        ASP  16 -10.336  -6.279   3.569
   96    HA   ASP  16           HA       ASP  16 -11.959  -7.302   5.809
   97    HB2  ASP  16           HB2      ASP  16 -12.237  -4.835   5.338
   98    HB3  ASP  16           HB1      ASP  16 -12.867  -5.275   3.753
   99    H    GLN  17           H        GLN  17 -13.868  -8.480   5.189
  100    HA   GLN  17           HA       GLN  17 -14.838 -10.234   4.122
  101    HB2  GLN  17           HB2      GLN  17 -14.670  -8.053   2.163
  102    HB3  GLN  17           HB1      GLN  17 -14.938  -9.627   1.468
  103    HG2  GLN  17           HG2      GLN  17 -17.042  -8.541   1.844
  104    HG3  GLN  17           HG1      GLN  17 -16.893  -9.929   2.919
  105   HE21  GLN  17          HE21      GLN  17 -17.003  -6.486   2.684
  106   HE22  GLN  17          HE22      GLN  17 -17.185  -6.163   4.372
  107    H    VAL  18           H        VAL  18 -12.864 -11.511   4.630
  108    HA   VAL  18           HA       VAL  18 -11.139 -12.096   2.383
  109    HB   VAL  18           HB       VAL  18 -10.062 -13.744   3.844
  110   HG11  VAL  18          HG11      VAL  18  -9.205 -12.191   5.542
  111   HG12  VAL  18          HG12      VAL  18 -10.526 -11.081   5.180
  112   HG13  VAL  18          HG13      VAL  18  -9.314 -11.437   3.951
  113   HG21  VAL  18          HG21      VAL  18 -10.740 -14.011   6.176
  114   HG22  VAL  18          HG22      VAL  18 -12.030 -14.510   5.080
  115   HG23  VAL  18          HG23      VAL  18 -12.123 -12.953   5.900
  116    H    ASP  19           H        ASP  19 -11.277 -13.784   1.032
  117    HA   ASP  19           HA       ASP  19 -13.522 -15.662   1.405
  118    HB2  ASP  19           HB2      ASP  19 -11.984 -15.057  -1.135
  119    HB3  ASP  19           HB1      ASP  19 -13.399 -16.093  -0.994
  120    H    ASP  20           H        ASP  20 -12.697 -17.715  -0.225
  121    HA   ASP  20           HA       ASP  20 -10.865 -19.065   1.459
  122    HB2  ASP  20           HB2      ASP  20 -11.044 -20.918  -0.081
  123    HB3  ASP  20           HB1      ASP  20 -12.638 -20.205   0.124
  124    H    THR  21           H        THR  21 -10.531 -17.373  -1.612
  125    HA   THR  21           HA       THR  21  -7.625 -17.581  -1.348
  126    HB   THR  21           HB       THR  21  -7.639 -17.890  -3.946
  127    HG1  THR  21           HG1      THR  21 -10.050 -19.270  -3.287
  128   HG21  THR  21          HG21      THR  21  -7.541 -20.332  -3.651
  129   HG22  THR  21          HG22      THR  21  -8.243 -20.152  -2.043
  130   HG23  THR  21          HG23      THR  21  -6.650 -19.474  -2.391
  131    H    SER  22           H        SER  22  -9.560 -15.366  -0.976
  132    HA   SER  22           HA       SER  22  -8.137 -13.406  -2.518
  133    HB2  SER  22           HB2      SER  22 -10.262 -12.412  -3.482
  134    HB3  SER  22           HB1      SER  22  -9.729 -13.924  -4.217
  135    HG   SER  22           HG       SER  22 -11.828 -13.520  -2.346
  136    H    ILE  23           H        ILE  23  -8.635 -11.203  -1.868
  137    HA   ILE  23           HA       ILE  23 -10.255 -10.930   0.567
  138    HB   ILE  23           HB       ILE  23  -8.566  -9.634   1.715
  139   HG12  ILE  23          HG12      ILE  23  -6.562 -10.319  -0.421
  140   HG13  ILE  23          HG11      ILE  23  -7.546  -8.863  -0.534
  141   HG21  ILE  23          HG21      ILE  23  -8.526 -12.028   2.126
  142   HG22  ILE  23          HG22      ILE  23  -6.897 -11.359   2.202
  143   HG23  ILE  23          HG23      ILE  23  -7.417 -12.255   0.776
  144   HD11  ILE  23          HD11      ILE  23  -6.651  -8.301   1.787
  145   HD12  ILE  23          HD12      ILE  23  -5.554  -8.151   0.418
  146   HD13  ILE  23          HD13      ILE  23  -5.447  -9.556   1.484
  147    H    VAL  24           H        VAL  24 -10.690  -8.639   1.085
  148    HA   VAL  24           HA       VAL  24 -10.310  -6.841  -1.218
  149    HB   VAL  24           HB       VAL  24 -12.324  -6.554   1.025
  150   HG11  VAL  24          HG11      VAL  24 -13.308  -4.817  -0.388
  151   HG12  VAL  24          HG12      VAL  24 -12.018  -5.046  -1.569
  152   HG13  VAL  24          HG13      VAL  24 -11.641  -4.429   0.040
  153   HG21  VAL  24          HG21      VAL  24 -12.748  -7.476  -1.815
  154   HG22  VAL  24          HG22      VAL  24 -14.019  -7.161  -0.634
  155   HG23  VAL  24          HG23      VAL  24 -12.872  -8.475  -0.368
  156    H    VAL  25           H        VAL  25  -8.477  -5.744  -0.853
  157    HA   VAL  25           HA       VAL  25  -7.839  -4.897   1.869
  158    HB   VAL  25           HB       VAL  25  -5.979  -5.936   0.809
  159   HG11  VAL  25          HG11      VAL  25  -5.024  -5.091  -1.323
  160   HG12  VAL  25          HG12      VAL  25  -6.472  -4.103  -1.522
  161   HG13  VAL  25          HG13      VAL  25  -6.601  -5.863  -1.477
  162   HG21  VAL  25          HG21      VAL  25  -5.375  -3.985   2.112
  163   HG22  VAL  25          HG22      VAL  25  -5.565  -2.954   0.693
  164   HG23  VAL  25          HG23      VAL  25  -4.288  -4.173   0.734
  165    H    ARG  26           H        ARG  26  -8.209  -2.927   2.551
  166    HA   ARG  26           HA       ARG  26  -8.887  -0.842   0.574
  167    HB2  ARG  26           HB2      ARG  26 -10.227  -1.335   3.245
  168    HB3  ARG  26           HB1      ARG  26 -10.666  -0.101   2.070
  169    HG2  ARG  26           HG2      ARG  26 -11.488  -1.698   0.548
  170    HG3  ARG  26           HG1      ARG  26 -10.749  -3.032   1.433
  171    HD2  ARG  26           HD2      ARG  26 -13.151  -2.946   1.817
  172    HD3  ARG  26           HD1      ARG  26 -12.258  -2.638   3.304
  173    HE   ARG  26           HE       ARG  26 -12.725  -0.152   2.429
  174   HH11  ARG  26          HH11      ARG  26 -14.827  -2.925   2.734
  175   HH12  ARG  26          HH12      ARG  26 -16.241  -1.980   3.074
  176   HH21  ARG  26          HH21      ARG  26 -14.582   1.101   2.874
  177   HH22  ARG  26          HH22      ARG  26 -16.102   0.306   3.159
  178    H    TRP  27           H        TRP  27  -8.078   1.185   0.980
  179    HA   TRP  27           HA       TRP  27  -6.660   1.528   3.529
  180    HB2  TRP  27           HB2      TRP  27  -5.033   2.997   2.194
  181    HB3  TRP  27           HB1      TRP  27  -4.880   1.253   2.027
  182    HD1  TRP  27           HD1      TRP  27  -5.827   4.383   0.057
  183    HE1  TRP  27           HE1      TRP  27  -5.924   3.783  -2.446
  184    HE3  TRP  27           HE3      TRP  27  -5.342  -0.691   0.416
  185    HZ2  TRP  27           HZ2      TRP  27  -5.800   1.466  -4.054
  186    HZ3  TRP  27           HZ3      TRP  27  -5.339  -2.026  -1.649
  187    HH2  TRP  27           HH2      TRP  27  -5.562  -0.968  -3.836
  188    H    SER  28           H        SER  28  -7.296   3.182   4.665
  189    HA   SER  28           HA       SER  28  -9.331   4.927   3.760
  190    HB2  SER  28           HB2      SER  28  -7.590   5.228   6.213
  191    HB3  SER  28           HB1      SER  28  -9.199   5.903   5.959
  192    HG   SER  28           HG       SER  28  -9.604   4.101   7.089
  193    H    ARG  29           H        ARG  29  -9.244   6.974   3.037
  194    HA   ARG  29           HA       ARG  29  -6.839   7.977   1.938
  195    HB2  ARG  29           HB2      ARG  29  -9.566   9.191   2.342
  196    HB3  ARG  29           HB1      ARG  29  -8.252  10.063   1.575
  197    HG2  ARG  29           HG2      ARG  29  -9.364   7.442   0.605
  198    HG3  ARG  29           HG1      ARG  29  -9.815   9.028  -0.028
  199    HD2  ARG  29           HD2      ARG  29  -7.418   9.408  -0.585
  200    HD3  ARG  29           HD1      ARG  29  -7.085   7.750  -0.100
  201    HE   ARG  29           HE       ARG  29  -8.812   7.183  -1.905
  202   HH11  ARG  29          HH11      ARG  29  -6.662   9.942  -2.062
  203   HH12  ARG  29          HH12      ARG  29  -6.597   9.960  -3.793
  204   HH21  ARG  29          HH21      ARG  29  -8.725   7.192  -4.179
  205   HH22  ARG  29          HH22      ARG  29  -7.762   8.384  -5.005
  206    HA   PRO  30           HA       PRO  30  -5.212  10.007   5.547
  207    HB2  PRO  30           HB2      PRO  30  -3.362  11.539   4.255
  208    HB3  PRO  30           HB1      PRO  30  -3.135   9.820   4.590
  209    HG2  PRO  30           HG2      PRO  30  -4.018  11.158   2.064
  210    HG3  PRO  30           HG1      PRO  30  -2.886   9.811   2.281
  211    HD2  PRO  30           HD2      PRO  30  -5.442   9.435   1.502
  212    HD3  PRO  30           HD1      PRO  30  -4.580   8.262   2.506
  213    H1   MET  31           HT1      MET  31   4.436  26.455  -9.629
  214    H2   MET  31           HT2      MET  31   4.859  27.757  -8.638
  215    H3   MET  31           HT3      MET  31   5.874  26.409  -8.739
  216    HA   MET  31           HA       MET  31   5.245  28.248 -10.968
  217    HB2  MET  31           HB2      MET  31   7.674  27.999  -9.196
  218    HB3  MET  31           HB1      MET  31   7.719  28.797 -10.760
  219    HG2  MET  31           HG2      MET  31   5.944  29.590  -8.467
  220    HG3  MET  31           HG1      MET  31   7.472  30.362  -8.885
  221    HE1  MET  31           HE1      MET  31   4.809  33.036  -9.949
  222    HE2  MET  31           HE2      MET  31   6.215  32.696  -8.942
  223    HE3  MET  31           HE3      MET  31   4.669  31.929  -8.585
  224    H    ARG  32           H        ARG  32   5.252  27.153 -12.781
  225    HA   ARG  32           HA       ARG  32   7.511  25.661 -13.631
  226    HB2  ARG  32           HB2      ARG  32   6.370  23.953 -12.184
  227    HB3  ARG  32           HB1      ARG  32   4.969  24.061 -13.242
  228    HG2  ARG  32           HG2      ARG  32   6.375  23.327 -15.129
  229    HG3  ARG  32           HG1      ARG  32   7.728  23.140 -14.013
  230    HD2  ARG  32           HD2      ARG  32   6.464  21.478 -12.751
  231    HD3  ARG  32           HD1      ARG  32   5.098  21.676 -13.849
  232    HE   ARG  32           HE       ARG  32   7.615  20.924 -15.079
  233   HH11  ARG  32          HH11      ARG  32   4.553  19.829 -13.769
  234   HH12  ARG  32          HH12      ARG  32   4.581  18.329 -14.640
  235   HH21  ARG  32          HH21      ARG  32   7.653  18.959 -16.214
  236   HH22  ARG  32          HH22      ARG  32   6.343  17.832 -16.031
  237    H    GLY  33           H        GLY  33   6.801  27.712 -14.887
  238    HA2  GLY  33           HA2      GLY  33   6.267  28.425 -17.029
  239    HA3  GLY  33           HA1      GLY  33   5.633  26.820 -17.369
  240    H    SER  34           H        SER  34   3.502  26.296 -16.542
  241    HA   SER  34           HA       SER  34   1.731  28.606 -16.561
  242    HB2  SER  34           HB2      SER  34   1.211  26.587 -17.949
  243    HB3  SER  34           HB1      SER  34   1.034  25.655 -16.464
  244    HG   SER  34           HG       SER  34  -0.557  27.804 -17.403
  245    H    ASN  35           H        ASN  35   0.618  29.317 -14.790
  246    HA   ASN  35           HA       ASN  35   1.525  28.276 -12.236
  247    HB2  ASN  35           HB2      ASN  35  -0.050  30.734 -12.994
  248    HB3  ASN  35           HB1      ASN  35   0.257  30.272 -11.322
  249   HD21  ASN  35          HD21      ASN  35   2.340  30.400 -10.504
  250   HD22  ASN  35          HD22      ASN  35   3.589  31.284 -11.307
  251    H    ALA  36           H        ALA  36   0.163  26.315 -13.095
  252    HA   ALA  36           HA       ALA  36  -2.591  26.515 -12.133
  253    HB1  ALA  36           HB1      ALA  36  -1.168  24.216 -13.475
  254    HB2  ALA  36           HB2      ALA  36  -2.213  25.385 -14.278
  255    HB3  ALA  36           HB3      ALA  36  -2.884  24.284 -13.076
  256    HA   PRO  37           HA       PRO  37  -0.768  24.904  -8.322
  257    HB2  PRO  37           HB2      PRO  37  -2.803  25.584  -6.700
  258    HB3  PRO  37           HB1      PRO  37  -1.622  26.770  -7.268
  259    HG2  PRO  37           HG2      PRO  37  -4.394  26.230  -8.251
  260    HG3  PRO  37           HG1      PRO  37  -3.572  27.784  -8.015
  261    HD2  PRO  37           HD2      PRO  37  -3.844  26.552 -10.450
  262    HD3  PRO  37           HD1      PRO  37  -2.530  27.675 -10.052
  263    H    GLN  38           H        GLN  38  -1.356  22.929  -9.764
  264    HA   GLN  38           HA       GLN  38  -3.756  21.521  -9.320
  265    HB2  GLN  38           HB2      GLN  38  -1.044  20.449 -10.111
  266    HB3  GLN  38           HB1      GLN  38  -2.583  19.629 -10.329
  267    HG2  GLN  38           HG2      GLN  38  -1.744  22.196 -11.659
  268    HG3  GLN  38           HG1      GLN  38  -1.785  20.600 -12.408
  269   HE21  GLN  38          HE21      GLN  38  -3.766  19.655 -12.873
  270   HE22  GLN  38          HE22      GLN  38  -5.222  20.582 -12.963
  271    HA   PRO  39           HA       PRO  39  -3.118  20.164  -5.186
  272    HB2  PRO  39           HB2      PRO  39  -4.961  18.172  -5.125
  273    HB3  PRO  39           HB1      PRO  39  -5.396  19.884  -5.105
  274    HG2  PRO  39           HG2      PRO  39  -5.357  17.967  -7.407
  275    HG3  PRO  39           HG1      PRO  39  -6.587  19.168  -6.974
  276    HD2  PRO  39           HD2      PRO  39  -4.761  19.621  -8.902
  277    HD3  PRO  39           HD1      PRO  39  -5.372  20.920  -7.857
  278    H    SER  40           H        SER  40  -2.323  18.439  -3.954
  279    HA   SER  40           HA       SER  40  -0.546  16.675  -5.343
  280    HB2  SER  40           HB2      SER  40  -1.219  16.854  -2.396
  281    HB3  SER  40           HB1      SER  40   0.152  15.992  -3.091
  282    HG   SER  40           HG       SER  40   0.956  17.931  -2.500
  283    H    HIS  41           H        HIS  41  -2.622  15.791  -6.436
  284    HA   HIS  41           HA       HIS  41  -4.053  13.821  -4.872
  285    HB2  HIS  41           HB2      HIS  41  -5.394  13.450  -6.838
  286    HB3  HIS  41           HB1      HIS  41  -5.177  15.184  -6.645
  287    HD1  HIS  41           HD1      HIS  41  -5.242  12.760  -9.186
  288    HD2  HIS  41           HD2      HIS  41  -2.773  16.010  -8.390
  289    HE1  HIS  41           HE1      HIS  41  -4.139  13.324 -11.373
  290    HE2  HIS  41           HE2      HIS  41  -2.585  15.237 -10.854
  291    H    ILE  42           H        ILE  42  -3.983  11.604  -5.155
  292    HA   ILE  42           HA       ILE  42  -1.465  10.535  -6.059
  293    HB   ILE  42           HB       ILE  42  -3.907   9.206  -4.873
  294   HG12  ILE  42          HG12      ILE  42  -2.223   8.670  -3.037
  295   HG13  ILE  42          HG11      ILE  42  -1.143   9.818  -3.816
  296   HG21  ILE  42          HG21      ILE  42  -1.301   7.920  -5.672
  297   HG22  ILE  42          HG22      ILE  42  -2.869   7.660  -6.435
  298   HG23  ILE  42          HG23      ILE  42  -2.602   7.139  -4.772
  299   HD11  ILE  42          HD11      ILE  42  -3.854  10.429  -2.666
  300   HD12  ILE  42          HD12      ILE  42  -2.791  11.588  -3.463
  301   HD13  ILE  42          HD13      ILE  42  -2.293  10.832  -1.949
  302    H    SER  43           H        SER  43  -1.059   9.806  -8.025
  303    HA   SER  43           HA       SER  43  -3.120   9.797 -10.026
  304    HB2  SER  43           HB2      SER  43  -0.202   9.007 -10.227
  305    HB3  SER  43           HB1      SER  43  -1.289   9.312 -11.582
  306    HG   SER  43           HG       SER  43  -1.384  11.451 -11.029
  307    H    LYS  44           H        LYS  44  -1.215   7.385  -8.290
  308    HA   LYS  44           HA       LYS  44  -3.170   5.376  -8.841
  309    HB2  LYS  44           HB2      LYS  44  -1.657   3.787  -9.971
  310    HB3  LYS  44           HB1      LYS  44  -1.978   5.215 -10.941
  311    HG2  LYS  44           HG2      LYS  44   0.212   6.135 -10.204
  312    HG3  LYS  44           HG1      LYS  44   0.529   4.599  -9.390
  313    HD2  LYS  44           HD2      LYS  44   0.378   3.415 -11.498
  314    HD3  LYS  44           HD1      LYS  44  -0.055   4.907 -12.335
  315    HE2  LYS  44           HE2      LYS  44   2.249   4.508 -12.756
  316    HE3  LYS  44           HE1      LYS  44   2.151   5.841 -11.611
  317    HZ1  LYS  44           HZ1      LYS  44   3.873   4.267 -11.005
  318    HZ2  LYS  44           HZ2      LYS  44   2.740   3.016 -10.916
  319    HZ3  LYS  44           HZ3      LYS  44   2.663   4.304  -9.826
  320    H    TYR  45           H        TYR  45  -3.028   3.622  -7.498
  321    HA   TYR  45           HA       TYR  45  -0.972   3.762  -5.398
  322    HB2  TYR  45           HB2      TYR  45  -3.691   2.442  -5.461
  323    HB3  TYR  45           HB1      TYR  45  -2.530   2.197  -4.166
  324    HD1  TYR  45           HD1      TYR  45  -5.039   4.407  -5.559
  325    HD2  TYR  45           HD2      TYR  45  -1.907   4.096  -2.697
  326    HE1  TYR  45           HE1      TYR  45  -5.927   6.373  -4.379
  327    HE2  TYR  45           HE2      TYR  45  -2.786   6.062  -1.511
  328    HH   TYR  45           HH       TYR  45  -5.862   7.353  -2.143
  329    H    ILE  46           H        ILE  46   0.386   2.066  -5.048
  330    HA   ILE  46           HA       ILE  46   0.119  -0.208  -6.903
  331    HB   ILE  46           HB       ILE  46   2.583   1.136  -5.808
  332   HG12  ILE  46          HG12      ILE  46   3.219   0.980  -8.277
  333   HG13  ILE  46          HG11      ILE  46   1.553   0.505  -8.573
  334   HG21  ILE  46          HG21      ILE  46   3.920  -0.678  -6.814
  335   HG22  ILE  46          HG22      ILE  46   2.432  -1.584  -7.089
  336   HG23  ILE  46          HG23      ILE  46   2.947  -1.212  -5.444
  337   HD11  ILE  46          HD11      ILE  46   1.870   2.861  -9.014
  338   HD12  ILE  46          HD12      ILE  46   2.472   3.106  -7.375
  339   HD13  ILE  46          HD13      ILE  46   0.794   2.635  -7.634
  340    H    LEU  47           H        LEU  47  -0.511  -1.997  -5.969
  341    HA   LEU  47           HA       LEU  47   0.007  -2.447  -3.114
  342    HB2  LEU  47           HB2      LEU  47  -2.287  -2.746  -4.418
  343    HB3  LEU  47           HB1      LEU  47  -1.598  -4.297  -4.842
  344    HG   LEU  47           HG       LEU  47  -3.081  -4.555  -2.961
  345   HD11  LEU  47          HD11      LEU  47  -0.201  -4.812  -2.140
  346   HD12  LEU  47          HD12      LEU  47  -1.210  -6.032  -2.920
  347   HD13  LEU  47          HD13      LEU  47  -1.564  -5.517  -1.272
  348   HD21  LEU  47          HD21      LEU  47  -2.714  -3.447  -0.831
  349   HD22  LEU  47          HD22      LEU  47  -3.001  -2.273  -2.116
  350   HD23  LEU  47          HD23      LEU  47  -1.363  -2.545  -1.520
  351    H    ARG  48           H        ARG  48   1.755  -3.613  -2.609
  352    HA   ARG  48           HA       ARG  48   2.600  -5.737  -4.477
  353    HB2  ARG  48           HB2      ARG  48   4.391  -3.994  -2.771
  354    HB3  ARG  48           HB1      ARG  48   4.928  -5.330  -3.778
  355    HG2  ARG  48           HG2      ARG  48   4.098  -4.136  -5.761
  356    HG3  ARG  48           HG1      ARG  48   3.647  -2.783  -4.725
  357    HD2  ARG  48           HD2      ARG  48   6.418  -3.851  -5.232
  358    HD3  ARG  48           HD1      ARG  48   5.759  -2.298  -5.745
  359    HE   ARG  48           HE       ARG  48   5.570  -2.432  -2.970
  360   HH11  ARG  48          HH11      ARG  48   8.025  -2.249  -5.455
  361   HH12  ARG  48          HH12      ARG  48   9.191  -1.470  -4.433
  362   HH21  ARG  48          HH21      ARG  48   7.113  -1.392  -1.610
  363   HH22  ARG  48          HH22      ARG  48   8.668  -0.971  -2.251
  364    H    TRP  49           H        TRP  49   2.706  -7.725  -3.612
  365    HA   TRP  49           HA       TRP  49   2.994  -7.996  -0.716
  366    HB2  TRP  49           HB2      TRP  49   1.061  -9.419  -0.491
  367    HB3  TRP  49           HB1      TRP  49   0.551  -7.902  -1.221
  368    HD1  TRP  49           HD1      TRP  49   0.547 -11.604  -1.787
  369    HE1  TRP  49           HE1      TRP  49  -0.568 -12.147  -4.041
  370    HE3  TRP  49           HE3      TRP  49   0.300  -6.883  -3.726
  371    HZ2  TRP  49           HZ2      TRP  49  -1.435 -10.754  -6.339
  372    HZ3  TRP  49           HZ3      TRP  49  -0.694  -6.568  -5.950
  373    HH2  TRP  49           HH2      TRP  49  -1.538  -8.462  -7.235
  374    H    ARG  50           H        ARG  50   3.518 -10.145  -0.025
  375    HA   ARG  50           HA       ARG  50   4.020 -12.196  -1.979
  376    HB2  ARG  50           HB2      ARG  50   6.419 -12.440  -1.482
  377    HB3  ARG  50           HB1      ARG  50   6.080 -10.884  -2.226
  378    HG2  ARG  50           HG2      ARG  50   6.299  -9.786  -0.115
  379    HG3  ARG  50           HG1      ARG  50   6.428 -11.338   0.722
  380    HD2  ARG  50           HD2      ARG  50   8.455 -11.768  -0.781
  381    HD3  ARG  50           HD1      ARG  50   8.396 -10.040  -1.138
  382    HE   ARG  50           HE       ARG  50   8.371 -10.747   1.655
  383   HH11  ARG  50          HH11      ARG  50  10.371  -9.924  -1.095
  384   HH12  ARG  50          HH12      ARG  50  11.649  -9.254  -0.131
  385   HH21  ARG  50          HH21      ARG  50  10.059  -9.881   2.934
  386   HH22  ARG  50          HH22      ARG  50  11.477  -9.245   2.160
  387    HA   PRO  51           HA       PRO  51   3.158 -14.795   1.522
  388    HB2  PRO  51           HB2      PRO  51   5.276 -16.589   0.470
  389    HB3  PRO  51           HB1      PRO  51   3.580 -16.938   0.821
  390    HG2  PRO  51           HG2      PRO  51   4.438 -16.708  -1.693
  391    HG3  PRO  51           HG1      PRO  51   2.848 -16.089  -1.206
  392    HD2  PRO  51           HD2      PRO  51   5.390 -14.600  -1.713
  393    HD3  PRO  51           HD1      PRO  51   3.719 -14.151  -2.110
  394    H    LYS  52           H        LYS  52   3.919 -14.952   3.547
  395    HA   LYS  52           HA       LYS  52   6.230 -13.494   4.260
  396    HB2  LYS  52           HB2      LYS  52   3.952 -14.457   5.514
  397    HB3  LYS  52           HB1      LYS  52   5.266 -15.292   6.323
  398    HG2  LYS  52           HG2      LYS  52   5.040 -12.315   6.009
  399    HG3  LYS  52           HG1      LYS  52   4.603 -13.228   7.451
  400    HD2  LYS  52           HD2      LYS  52   6.915 -13.998   7.661
  401    HD3  LYS  52           HD1      LYS  52   7.350 -13.084   6.215
  402    HE2  LYS  52           HE2      LYS  52   7.963 -11.866   8.231
  403    HE3  LYS  52           HE1      LYS  52   6.713 -11.010   7.330
  404    HZ1  LYS  52           HZ1      LYS  52   6.283 -11.038   9.725
  405    HZ2  LYS  52           HZ2      LYS  52   6.227 -12.727   9.704
  406    HZ3  LYS  52           HZ3      LYS  52   5.063 -11.836   8.865
  407    H    ASN  53           H        ASN  53   5.675 -16.872   3.663
  408    HA   ASN  53           HA       ASN  53   8.102 -17.777   4.895
  409    HB2  ASN  53           HB2      ASN  53   7.619 -19.930   3.845
  410    HB3  ASN  53           HB1      ASN  53   6.173 -19.286   4.612
  411   HD21  ASN  53          HD21      ASN  53   4.460 -18.604   3.338
  412   HD22  ASN  53          HD22      ASN  53   4.323 -19.041   1.671
  413    H    SER  54           H        SER  54   7.401 -16.112   2.093
  414    HA   SER  54           HA       SER  54   9.873 -17.001   0.775
  415    HB2  SER  54           HB2      SER  54   7.489 -15.513  -0.352
  416    HB3  SER  54           HB1      SER  54   8.925 -15.969  -1.267
  417    HG   SER  54           HG       SER  54   8.407 -18.184  -0.623
  418    H    VAL  55           H        VAL  55  11.314 -15.403  -0.033
  419    HA   VAL  55           HA       VAL  55  10.971 -12.711   1.066
  420    HB   VAL  55           HB       VAL  55  12.533 -14.092   2.432
  421   HG11  VAL  55          HG11      VAL  55  14.740 -14.659   1.532
  422   HG12  VAL  55          HG12      VAL  55  14.211 -14.135  -0.068
  423   HG13  VAL  55          HG13      VAL  55  13.442 -15.521   0.706
  424   HG21  VAL  55          HG21      VAL  55  14.339 -12.451   2.508
  425   HG22  VAL  55          HG22      VAL  55  12.753 -11.690   2.387
  426   HG23  VAL  55          HG23      VAL  55  13.790 -11.795   0.968
  427    H    GLY  56           H        GLY  56  10.417 -13.825  -1.572
  428    HA2  GLY  56           HA2      GLY  56  12.590 -12.796  -3.235
  429    HA3  GLY  56           HA1      GLY  56  11.251 -13.787  -3.786
  430    H    ARG  57           H        ARG  57  10.244 -12.651  -5.291
  431    HA   ARG  57           HA       ARG  57  10.229  -9.781  -5.263
  432    HB2  ARG  57           HB2      ARG  57   9.106 -11.823  -7.156
  433    HB3  ARG  57           HB1      ARG  57   8.870 -10.096  -7.377
  434    HG2  ARG  57           HG2      ARG  57  11.279  -9.771  -7.495
  435    HG3  ARG  57           HG1      ARG  57  11.527 -11.501  -7.258
  436    HD2  ARG  57           HD2      ARG  57  11.695 -10.934  -9.606
  437    HD3  ARG  57           HD1      ARG  57  10.290 -11.953  -9.315
  438    HE   ARG  57           HE       ARG  57   9.612  -9.186  -9.251
  439   HH11  ARG  57          HH11      ARG  57  10.274 -11.850 -11.422
  440   HH12  ARG  57          HH12      ARG  57   9.350 -11.184 -12.729
  441   HH21  ARG  57          HH21      ARG  57   8.420  -8.290 -10.982
  442   HH22  ARG  57          HH22      ARG  57   8.305  -9.152 -12.481
  443    H    TRP  58           H        TRP  58   8.509  -8.418  -5.098
  444    HA   TRP  58           HA       TRP  58   6.096  -9.442  -3.814
  445    HB2  TRP  58           HB2      TRP  58   6.886  -6.586  -4.453
  446    HB3  TRP  58           HB1      TRP  58   5.543  -7.094  -3.441
  447    HD1  TRP  58           HD1      TRP  58   9.417  -7.366  -3.410
  448    HE1  TRP  58           HE1      TRP  58  10.200  -7.199  -0.962
  449    HE3  TRP  58           HE3      TRP  58   4.856  -7.126  -1.126
  450    HZ2  TRP  58           HZ2      TRP  58   9.030  -6.992   1.594
  451    HZ3  TRP  58           HZ3      TRP  58   4.774  -6.941   1.324
  452    HH2  TRP  58           HH2      TRP  58   6.818  -6.875   2.655
  453    H    LYS  59           H        LYS  59   4.180  -9.661  -4.899
  454    HA   LYS  59           HA       LYS  59   4.079  -9.273  -7.721
  455    HB2  LYS  59           HB2      LYS  59   1.810  -9.729  -5.773
  456    HB3  LYS  59           HB1      LYS  59   1.688  -9.841  -7.523
  457    HG2  LYS  59           HG2      LYS  59   3.404 -11.667  -7.424
  458    HG3  LYS  59           HG1      LYS  59   3.230 -11.633  -5.667
  459    HD2  LYS  59           HD2      LYS  59   0.811 -12.072  -5.938
  460    HD3  LYS  59           HD1      LYS  59   1.054 -12.199  -7.680
  461    HE2  LYS  59           HE2      LYS  59   2.687 -14.040  -7.230
  462    HE3  LYS  59           HE1      LYS  59   2.204 -13.968  -5.536
  463    HZ1  LYS  59           HZ1      LYS  59   0.414 -14.580  -7.821
  464    HZ2  LYS  59           HZ2      LYS  59  -0.059 -14.490  -6.204
  465    HZ3  LYS  59           HZ3      LYS  59   1.008 -15.697  -6.700
  466    H    GLU  60           H        GLU  60   2.915  -7.713  -8.913
  467    HA   GLU  60           HA       GLU  60   2.541  -5.214  -7.397
  468    HB2  GLU  60           HB2      GLU  60   3.433  -5.556 -10.262
  469    HB3  GLU  60           HB1      GLU  60   3.240  -4.025  -9.423
  470    HG2  GLU  60           HG2      GLU  60   5.066  -4.502  -7.974
  471    HG3  GLU  60           HG1      GLU  60   5.164  -6.165  -8.556
  472    H    ALA  61           H        ALA  61   0.555  -4.455  -7.356
  473    HA   ALA  61           HA       ALA  61  -1.127  -4.780  -9.755
  474    HB1  ALA  61           HB1      ALA  61  -1.978  -6.215  -7.964
  475    HB2  ALA  61           HB2      ALA  61  -3.101  -4.901  -8.318
  476    HB3  ALA  61           HB3      ALA  61  -2.072  -4.821  -6.889
  477    H    THR  62           H        THR  62  -1.835  -2.901 -10.588
  478    HA   THR  62           HA       THR  62  -1.303  -0.461  -9.051
  479    HB   THR  62           HB       THR  62  -1.860  -0.709 -12.011
  480    HG1  THR  62           HG1      THR  62   0.274  -1.513 -10.721
  481   HG21  THR  62          HG21      THR  62  -2.301   1.511 -11.093
  482   HG22  THR  62          HG22      THR  62  -0.861   1.535 -12.113
  483   HG23  THR  62          HG23      THR  62  -0.699   1.535 -10.356
  484    H    ILE  63           H        ILE  63  -2.926   0.636  -8.217
  485    HA   ILE  63           HA       ILE  63  -5.646   0.212  -9.279
  486    HB   ILE  63           HB       ILE  63  -4.810   1.196  -6.538
  487   HG12  ILE  63          HG12      ILE  63  -6.098  -0.973  -5.887
  488   HG13  ILE  63          HG11      ILE  63  -5.765  -1.469  -7.540
  489   HG21  ILE  63          HG21      ILE  63  -6.904   2.214  -7.300
  490   HG22  ILE  63          HG22      ILE  63  -7.171   1.102  -5.956
  491   HG23  ILE  63          HG23      ILE  63  -7.570   0.609  -7.601
  492   HD11  ILE  63          HD11      ILE  63  -3.368  -1.225  -7.121
  493   HD12  ILE  63          HD12      ILE  63  -4.119  -2.372  -6.011
  494   HD13  ILE  63          HD13      ILE  63  -3.713  -0.746  -5.459
  495    HA   PRO  64           HA       PRO  64  -5.558   4.421 -10.851
  496    HB2  PRO  64           HB2      PRO  64  -8.450   4.183 -10.133
  497    HB3  PRO  64           HB1      PRO  64  -7.708   4.772 -11.626
  498    HG2  PRO  64           HG2      PRO  64  -8.793   2.347 -11.529
  499    HG3  PRO  64           HG1      PRO  64  -7.283   2.628 -12.413
  500    HD2  PRO  64           HD2      PRO  64  -7.717   1.316  -9.774
  501    HD3  PRO  64           HD1      PRO  64  -6.516   0.958 -11.030
  502    H    GLY  65           H        GLY  65  -5.352   6.374  -9.874
  503    HA2  GLY  65           HA2      GLY  65  -5.146   6.378  -7.041
  504    HA3  GLY  65           HA1      GLY  65  -4.863   7.744  -8.103
  505    H    HIS  66           H        HIS  66  -7.926   6.541  -8.672
  506    HA   HIS  66           HA       HIS  66  -9.086   8.463  -6.781
  507    HB2  HIS  66           HB2      HIS  66 -11.084   8.476  -8.316
  508    HB3  HIS  66           HB1      HIS  66  -9.619   9.176  -8.988
  509    HD1  HIS  66           HD1      HIS  66  -8.801   8.241 -11.158
  510    HD2  HIS  66           HD2      HIS  66 -11.737   5.870  -9.412
  511    HE1  HIS  66           HE1      HIS  66  -9.409   6.530 -12.895
  512    HE2  HIS  66           HE2      HIS  66 -11.313   5.228 -11.883
  513    H    LEU  67           H        LEU  67  -8.390   5.437  -6.690
  514    HA   LEU  67           HA       LEU  67 -10.943   4.659  -5.428
  515    HB2  LEU  67           HB2      LEU  67  -8.823   2.782  -6.479
  516    HB3  LEU  67           HB1      LEU  67 -10.378   2.334  -5.812
  517    HG   LEU  67           HG       LEU  67  -9.877   3.730  -8.434
  518   HD11  LEU  67          HD11      LEU  67 -10.972   1.003  -7.788
  519   HD12  LEU  67          HD12      LEU  67  -9.377   1.355  -8.453
  520   HD13  LEU  67          HD13      LEU  67 -10.822   1.706  -9.400
  521   HD21  LEU  67          HD21      LEU  67 -12.293   3.576  -8.788
  522   HD22  LEU  67          HD22      LEU  67 -11.912   4.594  -7.399
  523   HD23  LEU  67          HD23      LEU  67 -12.494   2.947  -7.152
  524    H    ASN  68           H        ASN  68 -10.591   3.110  -3.554
  525    HA   ASN  68           HA       ASN  68  -7.956   3.370  -2.316
  526    HB2  ASN  68           HB2      ASN  68  -8.813   4.058  -0.182
  527    HB3  ASN  68           HB1      ASN  68  -9.399   5.189  -1.391
  528   HD21  ASN  68          HD21      ASN  68 -10.373   4.437   1.292
  529   HD22  ASN  68          HD22      ASN  68 -12.034   4.006   1.074
  530    H    SER  69           H        SER  69  -9.461   1.203  -3.614
  531    HA   SER  69           HA       SER  69  -9.065  -0.780  -1.552
  532    HB2  SER  69           HB2      SER  69 -11.417  -0.121  -1.204
  533    HB3  SER  69           HB1      SER  69 -11.764  -0.483  -2.894
  534    HG   SER  69           HG       SER  69 -10.650  -2.433  -1.184
  535    H    TYR  70           H        TYR  70  -8.607  -2.800  -2.357
  536    HA   TYR  70           HA       TYR  70  -8.983  -3.276  -5.223
  537    HB2  TYR  70           HB2      TYR  70  -6.672  -2.493  -4.970
  538    HB3  TYR  70           HB1      TYR  70  -6.379  -3.708  -3.734
  539    HD1  TYR  70           HD1      TYR  70  -7.482  -3.443  -7.294
  540    HD2  TYR  70           HD2      TYR  70  -5.395  -5.700  -4.358
  541    HE1  TYR  70           HE1      TYR  70  -6.775  -5.032  -9.030
  542    HE2  TYR  70           HE2      TYR  70  -4.683  -7.300  -6.085
  543    HH   TYR  70           HH       TYR  70  -4.897  -6.680  -9.371
  544    H    THR  71           H        THR  71  -9.462  -5.386  -5.722
  545    HA   THR  71           HA       THR  71  -9.782  -7.204  -3.443
  546    HB   THR  71           HB       THR  71 -10.891  -7.496  -6.242
  547    HG1  THR  71           HG1      THR  71 -11.591  -5.699  -4.555
  548   HG21  THR  71          HG21      THR  71 -11.607  -8.877  -3.650
  549   HG22  THR  71          HG22      THR  71 -10.723  -9.600  -4.994
  550   HG23  THR  71          HG23      THR  71 -12.406  -9.118  -5.203
  551    H    ILE  72           H        ILE  72  -7.899  -8.265  -3.137
  552    HA   ILE  72           HA       ILE  72  -6.241  -9.110  -5.351
  553    HB   ILE  72           HB       ILE  72  -5.947  -9.881  -2.441
  554   HG12  ILE  72          HG12      ILE  72  -4.670  -7.557  -3.901
  555   HG13  ILE  72          HG11      ILE  72  -5.947  -7.421  -2.697
  556   HG21  ILE  72          HG21      ILE  72  -4.703 -11.276  -4.001
  557   HG22  ILE  72          HG22      ILE  72  -3.607 -10.279  -3.046
  558   HG23  ILE  72          HG23      ILE  72  -3.968  -9.843  -4.718
  559   HD11  ILE  72          HD11      ILE  72  -3.887  -6.904  -1.631
  560   HD12  ILE  72          HD12      ILE  72  -3.126  -8.363  -2.278
  561   HD13  ILE  72          HD13      ILE  72  -4.393  -8.499  -1.062
  562    H    LYS  73           H        LYS  73  -6.725 -10.878  -6.488
  563    HA   LYS  73           HA       LYS  73  -7.984 -13.134  -5.069
  564    HB2  LYS  73           HB2      LYS  73  -8.105 -12.432  -8.011
  565    HB3  LYS  73           HB1      LYS  73  -8.822 -13.863  -7.285
  566    HG2  LYS  73           HG2      LYS  73 -10.313 -12.471  -5.961
  567    HG3  LYS  73           HG1      LYS  73  -9.575 -11.018  -6.644
  568    HD2  LYS  73           HD2      LYS  73 -10.293 -11.731  -8.886
  569    HD3  LYS  73           HD1      LYS  73 -11.061 -13.151  -8.175
  570    HE2  LYS  73           HE2      LYS  73 -11.765 -10.303  -7.486
  571    HE3  LYS  73           HE1      LYS  73 -12.628 -11.278  -8.673
  572    HZ1  LYS  73           HZ1      LYS  73 -13.154 -12.861  -6.905
  573    HZ2  LYS  73           HZ2      LYS  73 -13.762 -11.324  -6.563
  574    HZ3  LYS  73           HZ3      LYS  73 -12.376 -11.876  -5.770
  575    H    GLY  74           H        GLY  74  -6.965 -15.069  -5.069
  576    HA2  GLY  74           HA2      GLY  74  -5.486 -16.657  -6.194
  577    HA3  GLY  74           HA1      GLY  74  -4.514 -15.284  -6.708
  578    H    LEU  75           H        LEU  75  -5.795 -15.316  -3.507
  579    HA   LEU  75           HA       LEU  75  -3.109 -15.661  -2.417
  580    HB2  LEU  75           HB2      LEU  75  -5.711 -14.799  -1.148
  581    HB3  LEU  75           HB1      LEU  75  -4.208 -14.986  -0.265
  582    HG   LEU  75           HG       LEU  75  -4.670 -13.013  -2.513
  583   HD11  LEU  75          HD11      LEU  75  -4.503 -12.627   0.466
  584   HD12  LEU  75          HD12      LEU  75  -5.930 -12.413  -0.547
  585   HD13  LEU  75          HD13      LEU  75  -4.548 -11.334  -0.731
  586   HD21  LEU  75          HD21      LEU  75  -2.352 -13.745  -2.392
  587   HD22  LEU  75          HD22      LEU  75  -2.320 -13.402  -0.664
  588   HD23  LEU  75          HD23      LEU  75  -2.513 -12.085  -1.820
  589    H    LYS  76           H        LYS  76  -2.660 -17.224  -0.803
  590    HA   LYS  76           HA       LYS  76  -4.264 -19.636  -1.159
  591    HB2  LYS  76           HB2      LYS  76  -1.520 -19.296   0.063
  592    HB3  LYS  76           HB1      LYS  76  -2.315 -20.825  -0.285
  593    HG2  LYS  76           HG2      LYS  76  -2.253 -20.339  -2.665
  594    HG3  LYS  76           HG1      LYS  76  -1.508 -18.773  -2.335
  595    HD2  LYS  76           HD2      LYS  76   0.397 -19.947  -1.287
  596    HD3  LYS  76           HD1      LYS  76  -0.340 -21.487  -1.732
  597    HE2  LYS  76           HE2      LYS  76   0.494 -19.326  -3.661
  598    HE3  LYS  76           HE1      LYS  76   1.417 -20.784  -3.308
  599    HZ1  LYS  76           HZ1      LYS  76   0.141 -21.023  -5.335
  600    HZ2  LYS  76           HZ2      LYS  76  -1.295 -20.695  -4.512
  601    HZ3  LYS  76           HZ3      LYS  76  -0.425 -22.103  -4.162
  602    HA   PRO  77           HA       PRO  77  -6.026 -19.150   2.879
  603    HB2  PRO  77           HB2      PRO  77  -7.089 -21.644   3.101
  604    HB3  PRO  77           HB1      PRO  77  -7.812 -20.371   2.111
  605    HG2  PRO  77           HG2      PRO  77  -6.071 -22.659   1.281
  606    HG3  PRO  77           HG1      PRO  77  -7.527 -22.017   0.496
  607    HD2  PRO  77           HD2      PRO  77  -5.033 -21.432  -0.369
  608    HD3  PRO  77           HD1      PRO  77  -6.379 -20.283  -0.498
  609    H    GLY  78           H        GLY  78  -4.809 -19.126   4.633
  610    HA2  GLY  78           HA2      GLY  78  -3.990 -20.350   6.542
  611    HA3  GLY  78           HA1      GLY  78  -3.470 -21.624   5.448
  612    H    VAL  79           H        VAL  79  -2.660 -19.009   3.795
  613    HA   VAL  79           HA       VAL  79   0.066 -19.034   4.864
  614    HB   VAL  79           HB       VAL  79  -0.929 -18.050   2.182
  615   HG11  VAL  79          HG11      VAL  79   1.104 -16.905   2.853
  616   HG12  VAL  79          HG12      VAL  79   1.440 -18.047   1.549
  617   HG13  VAL  79          HG13      VAL  79   1.875 -18.452   3.209
  618   HG21  VAL  79          HG21      VAL  79  -1.166 -20.454   2.368
  619   HG22  VAL  79          HG22      VAL  79   0.503 -20.592   2.924
  620   HG23  VAL  79          HG23      VAL  79   0.166 -20.052   1.281
  621    H    VAL  80           H        VAL  80   1.007 -17.258   5.691
  622    HA   VAL  80           HA       VAL  80  -0.585 -14.815   5.840
  623    HB   VAL  80           HB       VAL  80   1.123 -14.055   7.500
  624   HG11  VAL  80          HG11      VAL  80  -0.147 -16.718   8.117
  625   HG12  VAL  80          HG12      VAL  80  -0.950 -15.154   8.204
  626   HG13  VAL  80          HG13      VAL  80   0.384 -15.520   9.297
  627   HG21  VAL  80          HG21      VAL  80   2.630 -15.782   8.460
  628   HG22  VAL  80          HG22      VAL  80   3.053 -15.306   6.820
  629   HG23  VAL  80          HG23      VAL  80   2.223 -16.833   7.104
  630    H    TYR  81           H        TYR  81   0.205 -12.790   5.158
  631    HA   TYR  81           HA       TYR  81   2.418 -12.950   3.210
  632    HB2  TYR  81           HB2      TYR  81  -0.304 -11.692   2.846
  633    HB3  TYR  81           HB1      TYR  81   1.051 -11.393   1.772
  634    HD1  TYR  81           HD1      TYR  81  -1.286 -14.002   2.980
  635    HD2  TYR  81           HD2      TYR  81   1.594 -12.906   0.049
  636    HE1  TYR  81           HE1      TYR  81  -1.958 -15.928   1.606
  637    HE2  TYR  81           HE2      TYR  81   0.936 -14.830  -1.328
  638    HH   TYR  81           HH       TYR  81  -0.159 -16.887  -1.219
  639    H    GLU  82           H        GLU  82   3.492 -10.995   2.751
  640    HA   GLU  82           HA       GLU  82   3.057  -8.792   4.655
  641    HB2  GLU  82           HB2      GLU  82   5.403  -9.523   2.893
  642    HB3  GLU  82           HB1      GLU  82   5.282  -7.976   3.715
  643    HG2  GLU  82           HG2      GLU  82   5.230 -10.621   5.126
  644    HG3  GLU  82           HG1      GLU  82   6.692  -9.679   4.857
  645    H    GLY  83           H        GLY  83   2.691  -6.678   3.849
  646    HA2  GLY  83           HA2      GLY  83   2.206  -6.521   0.950
  647    HA3  GLY  83           HA1      GLY  83   0.934  -6.071   2.073
  648    H    GLN  84           H        GLN  84   2.355  -4.530   0.017
  649    HA   GLN  84           HA       GLN  84   3.013  -2.235   1.731
  650    HB2  GLN  84           HB2      GLN  84   4.508  -3.130  -0.736
  651    HB3  GLN  84           HB1      GLN  84   4.681  -1.534  -0.021
  652    HG2  GLN  84           HG2      GLN  84   5.473  -2.583   2.057
  653    HG3  GLN  84           HG1      GLN  84   5.354  -4.162   1.279
  654   HE21  GLN  84          HE21      GLN  84   6.835  -4.721  -0.308
  655   HE22  GLN  84          HE22      GLN  84   8.308  -3.843  -0.548
  656    H    LEU  85           H        LEU  85   1.789  -0.542   1.278
  657    HA   LEU  85           HA       LEU  85   0.493  -0.378  -1.362
  658    HB2  LEU  85           HB2      LEU  85  -0.971  -0.536   0.668
  659    HB3  LEU  85           HB1      LEU  85  -0.288   0.971   1.232
  660    HG   LEU  85           HG       LEU  85  -2.592   1.060   0.149
  661   HD11  LEU  85          HD11      LEU  85  -2.195   3.193  -0.886
  662   HD12  LEU  85          HD12      LEU  85  -0.478   2.832  -1.060
  663   HD13  LEU  85          HD13      LEU  85  -1.177   3.045   0.546
  664   HD21  LEU  85          HD21      LEU  85  -2.076  -0.425  -1.738
  665   HD22  LEU  85          HD22      LEU  85  -0.960   0.785  -2.370
  666   HD23  LEU  85          HD23      LEU  85  -2.683   1.142  -2.267
  667    H    ILE  86           H        ILE  86   1.580   0.945  -2.681
  668    HA   ILE  86           HA       ILE  86   2.961   3.264  -1.494
  669    HB   ILE  86           HB       ILE  86   3.514   2.055  -4.211
  670   HG12  ILE  86          HG12      ILE  86   5.719   1.391  -2.940
  671   HG13  ILE  86          HG11      ILE  86   4.684   1.457  -1.519
  672   HG21  ILE  86          HG21      ILE  86   4.118   4.423  -3.934
  673   HG22  ILE  86          HG22      ILE  86   5.533   3.393  -4.153
  674   HG23  ILE  86          HG23      ILE  86   5.120   3.989  -2.544
  675   HD11  ILE  86          HD11      ILE  86   3.184  -0.187  -2.594
  676   HD12  ILE  86          HD12      ILE  86   4.813  -0.797  -2.309
  677   HD13  ILE  86          HD13      ILE  86   4.331  -0.305  -3.931
  678    H    SER  87           H        SER  87   2.023   5.171  -1.811
  679    HA   SER  87           HA       SER  87   0.154   5.488  -4.032
  680    HB2  SER  87           HB2      SER  87  -0.298   7.715  -2.850
  681    HB3  SER  87           HB1      SER  87  -0.766   6.249  -1.990
  682    HG   SER  87           HG       SER  87   0.366   7.719  -0.647
  683    H    ILE  88           H        ILE  88   0.703   6.482  -5.848
  684    HA   ILE  88           HA       ILE  88   3.174   8.085  -5.894
  685    HB   ILE  88           HB       ILE  88   1.666   6.925  -8.244
  686   HG12  ILE  88          HG12      ILE  88   2.562   5.129  -6.835
  687   HG13  ILE  88          HG11      ILE  88   3.436   5.228  -8.357
  688   HG21  ILE  88          HG21      ILE  88   3.001   8.879  -8.801
  689   HG22  ILE  88          HG22      ILE  88   3.708   7.422  -9.498
  690   HG23  ILE  88          HG23      ILE  88   4.419   8.141  -8.054
  691   HD11  ILE  88          HD11      ILE  88   4.947   4.826  -6.516
  692   HD12  ILE  88          HD12      ILE  88   4.374   6.280  -5.701
  693   HD13  ILE  88          HD13      ILE  88   5.253   6.412  -7.225
  694    H    GLN  89           H        GLN  89   2.776  10.211  -5.702
  695    HA   GLN  89           HA       GLN  89   0.206  11.268  -6.563
  696    HB2  GLN  89           HB2      GLN  89   2.490  12.637  -5.163
  697    HB3  GLN  89           HB1      GLN  89   0.923  13.354  -5.492
  698    HG2  GLN  89           HG2      GLN  89  -0.130  11.646  -4.069
  699    HG3  GLN  89           HG1      GLN  89   1.473  11.012  -3.686
  700   HE21  GLN  89          HE21      GLN  89   1.309  11.480  -1.503
  701   HE22  GLN  89          HE22      GLN  89   1.330  13.100  -0.900
  702    H    GLN  90           H        GLN  90   0.434  13.657  -7.367
  703    HA   GLN  90           HA       GLN  90   1.202  13.631 -10.019
  704    HB2  GLN  90           HB2      GLN  90  -0.395  15.207  -9.070
  705    HB3  GLN  90           HB1      GLN  90   0.882  15.974  -8.141
  706    HG2  GLN  90           HG2      GLN  90   1.947  16.710 -10.205
  707    HG3  GLN  90           HG1      GLN  90   0.671  15.931 -11.141
  708   HE21  GLN  90          HE21      GLN  90   1.505  18.592  -9.087
  709   HE22  GLN  90          HE22      GLN  90   0.064  19.511  -9.336
  710    H    TYR  91           H        TYR  91   2.985  14.880  -7.223
  711    HA   TYR  91           HA       TYR  91   5.127  15.898  -8.882
  712    HB2  TYR  91           HB2      TYR  91   4.942  15.755  -5.865
  713    HB3  TYR  91           HB1      TYR  91   6.102  16.697  -6.792
  714    HD1  TYR  91           HD1      TYR  91   2.614  16.458  -5.690
  715    HD2  TYR  91           HD2      TYR  91   5.462  18.787  -7.829
  716    HE1  TYR  91           HE1      TYR  91   1.075  18.372  -5.641
  717    HE2  TYR  91           HE2      TYR  91   3.928  20.709  -7.787
  718    HH   TYR  91           HH       TYR  91   1.122  20.767  -5.813
  719    H    GLY  92           H        GLY  92   4.487  12.880  -8.420
  720    HA2  GLY  92           HA2      GLY  92   5.760  10.954  -8.305
  721    HA3  GLY  92           HA1      GLY  92   7.198  11.969  -8.268
  722    H    HIS  93           H        HIS  93   4.782  12.681  -5.998
  723    HA   HIS  93           HA       HIS  93   6.454  12.135  -3.762
  724    HB2  HIS  93           HB2      HIS  93   4.453  13.847  -4.137
  725    HB3  HIS  93           HB1      HIS  93   3.500  12.518  -3.497
  726    HD1  HIS  93           HD1      HIS  93   3.612  12.077  -0.980
  727    HD2  HIS  93           HD2      HIS  93   6.253  15.018  -2.294
  728    HE1  HIS  93           HE1      HIS  93   4.416  13.253   1.086
  729    HE2  HIS  93           HE2      HIS  93   6.075  14.956   0.285
  730    H    GLN  94           H        GLN  94   6.714  10.192  -2.802
  731    HA   GLN  94           HA       GLN  94   4.692   8.123  -3.373
  732    HB2  GLN  94           HB2      GLN  94   7.643   7.708  -2.880
  733    HB3  GLN  94           HB1      GLN  94   6.472   6.474  -3.315
  734    HG2  GLN  94           HG2      GLN  94   6.168   7.494  -5.489
  735    HG3  GLN  94           HG1      GLN  94   7.280   8.791  -5.054
  736   HE21  GLN  94          HE21      GLN  94   6.976   5.440  -5.905
  737   HE22  GLN  94          HE22      GLN  94   8.653   5.155  -6.208
  738    H    GLU  95           H        GLU  95   3.594   7.539  -1.647
  739    HA   GLU  95           HA       GLU  95   4.983   7.443   0.947
  740    HB2  GLU  95           HB2      GLU  95   2.156   7.993   0.187
  741    HB3  GLU  95           HB1      GLU  95   2.443   7.138   1.693
  742    HG2  GLU  95           HG2      GLU  95   2.209   9.486   2.116
  743    HG3  GLU  95           HG1      GLU  95   3.862   8.985   2.454
  744    H    VAL  96           H        VAL  96   5.654   5.468   1.437
  745    HA   VAL  96           HA       VAL  96   4.206   3.172   0.340
  746    HB   VAL  96           HB       VAL  96   6.914   3.258   1.681
  747   HG11  VAL  96          HG11      VAL  96   7.183   0.986   0.769
  748   HG12  VAL  96          HG12      VAL  96   5.511   1.028   0.212
  749   HG13  VAL  96          HG13      VAL  96   5.867   1.089   1.936
  750   HG21  VAL  96          HG21      VAL  96   7.780   2.865  -0.614
  751   HG22  VAL  96          HG22      VAL  96   7.019   4.439  -0.405
  752   HG23  VAL  96          HG23      VAL  96   6.153   3.146  -1.235
  753    H    THR  97           H        THR  97   2.595   2.587   1.622
  754    HA   THR  97           HA       THR  97   2.953   2.619   4.525
  755    HB   THR  97           HB       THR  97   0.451   1.937   2.968
  756    HG1  THR  97           HG1      THR  97   1.659   4.259   3.051
  757   HG21  THR  97          HG21      THR  97   0.883   2.841   5.817
  758   HG22  THR  97          HG22      THR  97   0.461   1.207   5.305
  759   HG23  THR  97          HG23      THR  97  -0.679   2.532   5.061
  760    H    ARG  98           H        ARG  98   3.838   0.846   5.353
  761    HA   ARG  98           HA       ARG  98   3.610  -1.680   3.910
  762    HB2  ARG  98           HB2      ARG  98   5.297  -1.006   6.325
  763    HB3  ARG  98           HB1      ARG  98   5.425  -2.449   5.327
  764    HG2  ARG  98           HG2      ARG  98   6.060  -1.036   3.412
  765    HG3  ARG  98           HG1      ARG  98   6.002   0.378   4.465
  766    HD2  ARG  98           HD2      ARG  98   7.735  -0.645   5.885
  767    HD3  ARG  98           HD1      ARG  98   7.822  -2.005   4.766
  768    HE   ARG  98           HE       ARG  98   8.555   0.772   4.092
  769   HH11  ARG  98          HH11      ARG  98   8.863  -2.687   3.596
  770   HH12  ARG  98          HH12      ARG  98  10.187  -2.531   2.485
  771   HH21  ARG  98          HH21      ARG  98  10.296   0.971   2.627
  772   HH22  ARG  98          HH22      ARG  98  10.994  -0.458   1.932
  773    H    PHE  99           H        PHE  99   2.620  -3.453   4.682
  774    HA   PHE  99           HA       PHE  99   1.570  -3.534   7.380
  775    HB2  PHE  99           HB2      PHE  99  -0.762  -3.816   6.678
  776    HB3  PHE  99           HB1      PHE  99  -0.155  -2.245   6.178
  777    HD1  PHE  99           HD1      PHE  99  -1.643  -5.332   5.132
  778    HD2  PHE  99           HD2      PHE  99   0.514  -1.927   3.763
  779    HE1  PHE  99           HE1      PHE  99  -2.373  -5.801   2.830
  780    HE2  PHE  99           HE2      PHE  99  -0.212  -2.392   1.460
  781    HZ   PHE  99           HZ       PHE  99  -1.656  -4.328   0.990
  782    H    ASP 100           H        ASP 100   0.006  -5.639   7.387
  783    HA   ASP 100           HA       ASP 100   1.094  -7.683   5.608
  784    HB2  ASP 100           HB2      ASP 100   1.660  -9.215   7.332
  785    HB3  ASP 100           HB1      ASP 100   2.405  -7.692   7.798
  786    H    PHE 101           H        PHE 101  -0.243  -9.655   5.633
  787    HA   PHE 101           HA       PHE 101  -2.829  -9.443   6.866
  788    HB2  PHE 101           HB2      PHE 101  -4.109  -9.560   4.761
  789    HB3  PHE 101           HB1      PHE 101  -3.228  -8.048   4.929
  790    HD1  PHE 101           HD1      PHE 101  -1.161  -7.681   3.583
  791    HD2  PHE 101           HD2      PHE 101  -3.732 -11.013   2.945
  792    HE1  PHE 101           HE1      PHE 101  -0.183  -8.005   1.349
  793    HE2  PHE 101           HE2      PHE 101  -2.752 -11.344   0.714
  794    HZ   PHE 101           HZ       PHE 101  -0.980  -9.839  -0.087
  795    H    THR 102           H        THR 102  -4.015 -11.356   6.813
  796    HA   THR 102           HA       THR 102  -2.562 -13.673   5.750
  797    HB   THR 102           HB       THR 102  -2.121 -13.625   8.122
  798    HG1  THR 102           HG1      THR 102  -4.086 -15.557   8.239
  799   HG21  THR 102          HG21      THR 102  -5.111 -13.494   8.504
  800   HG22  THR 102          HG22      THR 102  -3.954 -12.212   8.865
  801   HG23  THR 102          HG23      THR 102  -3.924 -13.714   9.790
  802    H    THR 103           H        THR 103  -3.762 -15.115   4.682
  803    HA   THR 103           HA       THR 103  -6.668 -14.724   4.635
  804    HB   THR 103           HB       THR 103  -5.023 -16.501   2.815
  805    HG1  THR 103           HG1      THR 103  -4.856 -13.920   2.935
  806   HG21  THR 103          HG21      THR 103  -7.435 -16.973   2.873
  807   HG22  THR 103          HG22      THR 103  -6.953 -16.297   1.317
  808   HG23  THR 103          HG23      THR 103  -7.774 -15.283   2.502
  809    H    THR 104           H        THR 104  -6.703 -15.644   6.832
  810    HA   THR 104           HA       THR 104  -5.854 -18.371   7.207
  811    HB   THR 104           HB       THR 104  -7.541 -16.831   9.164
  812    HG1  THR 104           HG1      THR 104  -5.901 -15.528   9.622
  813   HG21  THR 104          HG21      THR 104  -6.165 -18.038  10.800
  814   HG22  THR 104          HG22      THR 104  -5.256 -18.786   9.488
  815   HG23  THR 104          HG23      THR 104  -6.967 -19.156   9.699
  816    H    SER 105           H        SER 105  -7.690 -18.285   5.178
  817    HA   SER 105           HA       SER 105 -10.281 -19.040   6.211
  818    HB2  SER 105           HB2      SER 105  -9.219 -19.097   3.376
  819    HB3  SER 105           HB1      SER 105 -10.910 -19.257   3.861
  820    HG   SER 105           HG       SER 105 -10.123 -17.085   3.178
  821    H    THR 106           H        THR 106  -9.250 -20.785   7.492
  822    HA   THR 106           HA       THR 106  -8.221 -23.072   6.080
  823    HB   THR 106           HB       THR 106  -8.226 -24.109   8.383
  824    HG1  THR 106           HG1      THR 106  -9.906 -22.817   9.276
  825   HG21  THR 106          HG21      THR 106  -6.388 -22.715   9.221
  826   HG22  THR 106          HG22      THR 106  -6.839 -21.440   8.089
  827   HG23  THR 106          HG23      THR 106  -6.242 -22.986   7.484
  828    H    SER 107           H        SER 107 -10.282 -23.142   4.776
  829    HA   SER 107           HA       SER 107 -12.445 -24.530   6.196
  830    HB2  SER 107           HB2      SER 107 -12.866 -22.431   4.760
  831    HB3  SER 107           HB1      SER 107 -12.570 -23.473   3.370
  832    HG   SER 107           HG       SER 107 -14.661 -23.551   5.252
  833    H    THR 108           H        THR 108  -9.710 -25.323   4.794
  834    HA   THR 108           HA       THR 108 -10.176 -27.194   2.824
  835    HB   THR 108           HB       THR 108  -8.129 -27.501   5.021
  836    HG1  THR 108           HG1      THR 108  -8.268 -25.767   2.792
  837   HG21  THR 108          HG21      THR 108  -8.099 -28.357   2.126
  838   HG22  THR 108          HG22      THR 108  -8.364 -29.425   3.503
  839   HG23  THR 108          HG23      THR 108  -6.810 -28.615   3.303
  840    HA   PRO 109           HA       PRO 109 -10.843 -30.611   6.248
  841    HB2  PRO 109           HB2      PRO 109 -11.666 -29.697   8.691
  842    HB3  PRO 109           HB1      PRO 109  -9.987 -30.079   8.296
  843    HG2  PRO 109           HG2      PRO 109 -11.364 -27.423   8.345
  844    HG3  PRO 109           HG1      PRO 109  -9.753 -27.860   8.943
  845    HD2  PRO 109           HD2      PRO 109 -10.093 -26.606   6.594
  846    HD3  PRO 109           HD1      PRO 109  -8.820 -27.819   6.831
  847    H    GLY 110           H        GLY 110 -12.696 -28.026   5.283
  848    HA2  GLY 110           HA2      GLY 110 -15.224 -28.673   6.401
  849    HA3  GLY 110           HA1      GLY 110 -14.950 -27.721   4.950
  850    H    SER 111           H        SER 111 -13.362 -30.069   3.859
  851    HA   SER 111           HA       SER 111 -15.683 -31.678   3.024
  852    HB2  SER 111           HB2      SER 111 -14.552 -30.284   1.255
  853    HB3  SER 111           HB1      SER 111 -13.098 -31.245   1.502
  854    HG   SER 111           HG       SER 111 -15.464 -31.882   0.211
  855    H    ARG 112           H        ARG 112 -13.814 -31.980   5.349
  856    HA   ARG 112           HA       ARG 112 -12.184 -34.279   4.795
  857    HB2  ARG 112           HB2      ARG 112 -11.567 -32.660   6.531
  858    HB3  ARG 112           HB1      ARG 112 -13.037 -33.040   7.417
  859    HG2  ARG 112           HG2      ARG 112 -12.232 -35.337   7.736
  860    HG3  ARG 112           HG1      ARG 112 -10.744 -34.917   6.883
  861    HD2  ARG 112           HD2      ARG 112 -10.309 -33.177   8.576
  862    HD3  ARG 112           HD1      ARG 112 -11.754 -33.687   9.445
  863    HE   ARG 112           HE       ARG 112 -10.487 -35.961   9.456
  864   HH11  ARG 112          HH11      ARG 112  -9.104 -32.768   9.852
  865   HH12  ARG 112          HH12      ARG 112  -7.773 -33.326  10.815
  866   HH21  ARG 112          HH21      ARG 112  -8.739 -36.695  10.729
  867   HH22  ARG 112          HH22      ARG 112  -7.570 -35.559  11.316
  868    H    SER 113           H        SER 113 -14.981 -33.776   6.927
  869    HA   SER 113           HA       SER 113 -15.579 -36.624   6.827
  870    HB2  SER 113           HB2      SER 113 -16.948 -34.425   8.400
  871    HB3  SER 113           HB1      SER 113 -17.131 -36.162   8.639
  872    HG   SER 113           HG       SER 113 -15.364 -36.175   9.776
  873    H    HIS 114           H        HIS 114 -17.123 -37.434   5.541
  874    HA   HIS 114           HA       HIS 114 -18.680 -35.535   3.955
  875    HB2  HIS 114           HB2      HIS 114 -18.087 -38.471   3.577
  876    HB3  HIS 114           HB1      HIS 114 -19.201 -37.573   2.551
  877    HD1  HIS 114           HD1      HIS 114 -18.201 -36.038   0.783
  878    HD2  HIS 114           HD2      HIS 114 -15.347 -37.769   3.262
  879    HE1  HIS 114           HE1      HIS 114 -15.984 -35.533  -0.285
  880    HE2  HIS 114           HE2      HIS 114 -14.284 -36.713   1.152
  881    H    HIS 115           H        HIS 115 -19.107 -36.993   6.787
  882    HA   HIS 115           HA       HIS 115 -21.654 -38.187   6.560
  883    HB2  HIS 115           HB2      HIS 115 -20.173 -38.515   8.511
  884    HB3  HIS 115           HB1      HIS 115 -20.429 -36.839   8.976
  885    HD1  HIS 115           HD1      HIS 115 -21.790 -36.993  11.050
  886    HD2  HIS 115           HD2      HIS 115 -23.209 -39.509   8.065
  887    HE1  HIS 115           HE1      HIS 115 -23.904 -37.993  11.960
  888    HE2  HIS 115           HE2      HIS 115 -24.849 -39.337  10.054
  889    H    HIS 116           H        HIS 116 -20.657 -34.848   7.289
  890    HA   HIS 116           HA       HIS 116 -23.406 -33.973   7.327
  891    HB2  HIS 116           HB2      HIS 116 -22.588 -31.743   7.661
  892    HB3  HIS 116           HB1      HIS 116 -21.622 -32.808   8.666
  893    HD1  HIS 116           HD1      HIS 116 -21.410 -30.367   5.909
  894    HD2  HIS 116           HD2      HIS 116 -18.913 -33.118   7.770
  895    HE1  HIS 116           HE1      HIS 116 -19.081 -29.756   5.192
  896    HE2  HIS 116           HE2      HIS 116 -17.604 -31.525   6.206
  897    H    HIS 117           H        HIS 117 -24.587 -33.657   5.579
  898    HA   HIS 117           HA       HIS 117 -23.440 -32.578   3.160
  899    HB2  HIS 117           HB2      HIS 117 -22.935 -35.044   3.056
  900    HB3  HIS 117           HB1      HIS 117 -24.668 -35.343   3.070
  901    HD1  HIS 117           HD1      HIS 117 -25.860 -35.252   0.856
  902    HD2  HIS 117           HD2      HIS 117 -22.029 -33.645   0.680
  903    HE1  HIS 117           HE1      HIS 117 -25.404 -34.851  -1.580
  904    HE2  HIS 117           HE2      HIS 117 -23.161 -33.714  -1.644
  905    H    HIS 118           H        HIS 118 -24.959 -31.659   1.849
  906    HA   HIS 118           HA       HIS 118 -27.787 -32.092   2.504
  907    HB2  HIS 118           HB2      HIS 118 -28.242 -29.695   2.315
  908    HB3  HIS 118           HB1      HIS 118 -27.069 -29.989   3.592
  909    HD1  HIS 118           HD1      HIS 118 -27.372 -28.511   0.145
  910    HD2  HIS 118           HD2      HIS 118 -24.567 -28.846   3.190
  911    HE1  HIS 118           HE1      HIS 118 -25.500 -26.959  -0.488
  912    HE2  HIS 118           HE2      HIS 118 -23.868 -27.094   1.427
  913    H    HIS 119           H        HIS 119 -29.241 -31.499   0.743
  914    HA   HIS 119           HA       HIS 119 -27.943 -31.840  -1.858
  915    HB2  HIS 119           HB2      HIS 119 -29.820 -33.370  -1.206
  916    HB3  HIS 119           HB1      HIS 119 -30.892 -31.976  -1.196
  917    HD1  HIS 119           HD1      HIS 119 -28.825 -34.060  -3.566
  918    HD2  HIS 119           HD2      HIS 119 -31.876 -31.241  -3.662
  919    HE1  HIS 119           HE1      HIS 119 -29.629 -34.016  -5.948
  920    HE2  HIS 119           HE2      HIS 119 -31.364 -32.192  -6.011
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   6.635  27.141  12.861
    2    H2   GLY   1           HT2      GLY   1   5.300  27.987  13.457
    3    H3   GLY   1           HT3      GLY   1   5.454  27.713  11.796
    4    HA2  GLY   1           HA1      GLY   1   5.065  25.620  13.852
    5    HA3  GLY   1           HA2      GLY   1   3.818  26.231  12.776
    6    H    SER   2           H        SER   2   5.241  23.544  13.160
    7    HA   SER   2           HA       SER   2   5.678  23.086  10.300
    8    HB2  SER   2           HB2      SER   2   7.567  21.501  10.990
    9    HB3  SER   2           HB1      SER   2   7.908  23.227  11.088
   10    HG   SER   2           HG       SER   2   8.422  22.806  13.076
   11    H    GLN   3           H        GLN   3   4.409  21.500   9.603
   12    HA   GLN   3           HA       GLN   3   3.110  19.755  11.515
   13    HB2  GLN   3           HB2      GLN   3   2.815  20.056   8.523
   14    HB3  GLN   3           HB1      GLN   3   1.948  18.849   9.457
   15    HG2  GLN   3           HG2      GLN   3   0.431  20.593   9.199
   16    HG3  GLN   3           HG1      GLN   3   1.049  20.786  10.836
   17   HE21  GLN   3          HE21      GLN   3   2.834  21.680   7.957
   18   HE22  GLN   3          HE22      GLN   3   2.769  23.388   8.219
   19    H    THR   4           H        THR   4   4.871  18.542  12.245
   20    HA   THR   4           HA       THR   4   6.611  17.066  10.599
   21    HB   THR   4           HB       THR   4   5.696  16.332  13.391
   22    HG1  THR   4           HG1      THR   4   7.761  18.098  12.504
   23   HG21  THR   4          HG21      THR   4   8.266  15.752  11.911
   24   HG22  THR   4          HG22      THR   4   6.983  14.588  12.237
   25   HG23  THR   4          HG23      THR   4   7.899  15.288  13.573
   26    H    THR   5           H        THR   5   3.473  16.318  12.045
   27    HA   THR   5           HA       THR   5   3.364  13.924  10.343
   28    HB   THR   5           HB       THR   5   3.003  13.464  12.740
   29    HG1  THR   5           HG1      THR   5   0.450  13.002  11.856
   30   HG21  THR   5          HG21      THR   5   0.585  15.251  12.450
   31   HG22  THR   5          HG22      THR   5   2.012  15.573  13.437
   32   HG23  THR   5          HG23      THR   5   0.945  14.231  13.843
   33    H    ALA   6           H        ALA   6   1.782  13.711   8.850
   34    HA   ALA   6           HA       ALA   6  -0.384  15.611   8.632
   35    HB1  ALA   6           HB1      ALA   6   0.281  16.422   6.410
   36    HB2  ALA   6           HB2      ALA   6   1.801  15.538   6.544
   37    HB3  ALA   6           HB3      ALA   6   1.460  16.878   7.639
   38    HA   PRO   7           HA       PRO   7  -2.146  12.040   6.649
   39    HB2  PRO   7           HB2      PRO   7  -4.161  13.195   5.254
   40    HB3  PRO   7           HB1      PRO   7  -4.198  13.009   7.011
   41    HG2  PRO   7           HG2      PRO   7  -3.496  15.419   5.377
   42    HG3  PRO   7           HG1      PRO   7  -4.492  15.311   6.840
   43    HD2  PRO   7           HD2      PRO   7  -1.905  16.125   6.886
   44    HD3  PRO   7           HD1      PRO   7  -2.662  15.254   8.235
   45    H    ASP   8           H        ASP   8   0.120  12.488   5.407
   46    HA   ASP   8           HA       ASP   8  -0.440  12.866   2.547
   47    HB2  ASP   8           HB2      ASP   8   1.480  14.081   3.691
   48    HB3  ASP   8           HB1      ASP   8   2.255  12.513   3.875
   49    H    ALA   9           H        ALA   9   0.569  10.552   4.936
   50    HA   ALA   9           HA       ALA   9   0.828   8.446   2.919
   51    HB1  ALA   9           HB1      ALA   9   2.625   8.658   4.582
   52    HB2  ALA   9           HB2      ALA   9   1.802   7.103   4.681
   53    HB3  ALA   9           HB3      ALA   9   1.453   8.361   5.865
   54    HA   PRO  10           HA       PRO  10  -3.307   7.021   3.924
   55    HB2  PRO  10           HB2      PRO  10  -2.330   4.478   2.779
   56    HB3  PRO  10           HB1      PRO  10  -3.702   5.474   2.289
   57    HG2  PRO  10           HG2      PRO  10  -1.476   5.340   0.809
   58    HG3  PRO  10           HG1      PRO  10  -2.406   6.844   0.957
   59    HD2  PRO  10           HD2      PRO  10   0.138   6.052   2.306
   60    HD3  PRO  10           HD1      PRO  10  -0.336   7.610   1.651
   61    HA   PRO  11           HA       PRO  11  -2.406   4.895   7.831
   62    HB2  PRO  11           HB2      PRO  11  -5.339   4.457   7.585
   63    HB3  PRO  11           HB1      PRO  11  -4.405   5.068   8.955
   64    HG2  PRO  11           HG2      PRO  11  -5.876   6.708   7.453
   65    HG3  PRO  11           HG1      PRO  11  -4.304   7.215   8.094
   66    HD2  PRO  11           HD2      PRO  11  -5.049   6.399   5.327
   67    HD3  PRO  11           HD1      PRO  11  -3.873   7.612   5.870
   68    H    ASP  12           H        ASP  12  -2.786   2.711   8.628
   69    HA   ASP  12           HA       ASP  12  -2.128   0.781   6.754
   70    HB2  ASP  12           HB2      ASP  12  -2.496  -0.880   8.527
   71    HB3  ASP  12           HB1      ASP  12  -1.600   0.513   9.115
   72    HA   PRO  13           HA       PRO  13  -6.079   0.055   4.836
   73    HB2  PRO  13           HB2      PRO  13  -4.679  -2.216   3.594
   74    HB3  PRO  13           HB1      PRO  13  -5.452  -0.823   2.836
   75    HG2  PRO  13           HG2      PRO  13  -2.784  -1.092   2.897
   76    HG3  PRO  13           HG1      PRO  13  -3.567   0.494   3.024
   77    HD2  PRO  13           HD2      PRO  13  -2.384  -1.213   5.179
   78    HD3  PRO  13           HD1      PRO  13  -2.295   0.546   4.952
   79    H    THR  14           H        THR  14  -7.746  -1.404   5.032
   80    HA   THR  14           HA       THR  14  -7.326  -3.523   7.004
   81    HB   THR  14           HB       THR  14  -9.917  -3.513   6.972
   82    HG1  THR  14           HG1      THR  14 -10.788  -1.506   6.286
   83   HG21  THR  14          HG21      THR  14  -8.588  -2.697   8.846
   84   HG22  THR  14          HG22      THR  14  -9.974  -1.642   8.569
   85   HG23  THR  14          HG23      THR  14  -8.367  -1.147   8.034
   86    H    VAL  15           H        VAL  15  -7.514  -5.596   6.522
   87    HA   VAL  15           HA       VAL  15  -8.133  -6.361   3.773
   88    HB   VAL  15           HB       VAL  15  -6.868  -7.858   6.074
   89   HG11  VAL  15          HG11      VAL  15  -6.487  -9.702   4.492
   90   HG12  VAL  15          HG12      VAL  15  -7.491  -8.871   3.304
   91   HG13  VAL  15          HG13      VAL  15  -8.201  -9.439   4.815
   92   HG21  VAL  15          HG21      VAL  15  -5.442  -6.212   4.968
   93   HG22  VAL  15          HG22      VAL  15  -5.774  -6.967   3.408
   94   HG23  VAL  15          HG23      VAL  15  -4.887  -7.856   4.647
   95    H    ASP  16           H        ASP  16 -10.109  -7.073   3.268
   96    HA   ASP  16           HA       ASP  16 -11.866  -8.012   5.411
   97    HB2  ASP  16           HB2      ASP  16 -12.487  -7.313   2.540
   98    HB3  ASP  16           HB1      ASP  16 -13.669  -7.872   3.719
   99    H    GLN  17           H        GLN  17 -13.556  -9.680   4.400
  100    HA   GLN  17           HA       GLN  17 -12.015 -11.896   3.235
  101    HB2  GLN  17           HB2      GLN  17 -13.305 -13.391   4.835
  102    HB3  GLN  17           HB1      GLN  17 -12.050 -12.409   5.540
  103    HG2  GLN  17           HG2      GLN  17 -13.847 -10.736   6.115
  104    HG3  GLN  17           HG1      GLN  17 -15.008 -11.984   5.672
  105   HE21  GLN  17          HE21      GLN  17 -14.429 -10.649   8.206
  106   HE22  GLN  17          HE22      GLN  17 -14.096 -11.914   9.342
  107    H    VAL  18           H        VAL  18 -13.185 -11.011   1.326
  108    HA   VAL  18           HA       VAL  18 -16.035 -11.434   1.220
  109    HB   VAL  18           HB       VAL  18 -14.077 -10.731  -0.977
  110   HG11  VAL  18          HG11      VAL  18 -16.048 -11.824  -1.898
  111   HG12  VAL  18          HG12      VAL  18 -16.063 -10.102  -2.279
  112   HG13  VAL  18          HG13      VAL  18 -17.095 -10.728  -0.995
  113   HG21  VAL  18          HG21      VAL  18 -15.015  -8.478  -0.758
  114   HG22  VAL  18          HG22      VAL  18 -14.255  -9.015   0.740
  115   HG23  VAL  18          HG23      VAL  18 -16.012  -9.027   0.588
  116    H    ASP  19           H        ASP  19 -13.193 -12.879  -0.374
  117    HA   ASP  19           HA       ASP  19 -14.856 -15.221  -1.014
  118    HB2  ASP  19           HB2      ASP  19 -13.463 -13.852  -2.794
  119    HB3  ASP  19           HB1      ASP  19 -12.123 -14.802  -2.157
  120    H    ASP  20           H        ASP  20 -13.019 -17.207  -1.255
  121    HA   ASP  20           HA       ASP  20 -12.282 -17.583   1.525
  122    HB2  ASP  20           HB2      ASP  20 -11.735 -19.886   0.917
  123    HB3  ASP  20           HB1      ASP  20 -13.331 -19.456   0.323
  124    H    THR  21           H        THR  21 -10.706 -17.155  -1.577
  125    HA   THR  21           HA       THR  21  -8.149 -16.844  -0.154
  126    HB   THR  21           HB       THR  21  -7.205 -17.537  -2.522
  127    HG1  THR  21           HG1      THR  21  -9.641 -19.027  -2.402
  128   HG21  THR  21          HG21      THR  21  -7.044 -19.856  -1.732
  129   HG22  THR  21          HG22      THR  21  -8.293 -19.532  -0.529
  130   HG23  THR  21          HG23      THR  21  -6.737 -18.709  -0.428
  131    H    SER  22           H        SER  22 -10.275 -14.921  -1.094
  132    HA   SER  22           HA       SER  22  -8.430 -13.096  -2.431
  133    HB2  SER  22           HB2      SER  22 -11.319 -13.390  -3.288
  134    HB3  SER  22           HB1      SER  22 -10.111 -12.324  -3.995
  135    HG   SER  22           HG       SER  22 -10.454 -14.288  -5.188
  136    H    ILE  23           H        ILE  23  -8.473 -11.094  -1.609
  137    HA   ILE  23           HA       ILE  23 -10.472 -10.562   0.503
  138    HB   ILE  23           HB       ILE  23  -8.828  -9.318   1.717
  139   HG12  ILE  23          HG12      ILE  23  -6.746  -9.889  -0.380
  140   HG13  ILE  23          HG11      ILE  23  -7.785  -8.478  -0.513
  141   HG21  ILE  23          HG21      ILE  23  -8.723 -11.733   2.041
  142   HG22  ILE  23          HG22      ILE  23  -7.121 -11.012   2.191
  143   HG23  ILE  23          HG23      ILE  23  -7.567 -11.870   0.717
  144   HD11  ILE  23          HD11      ILE  23  -5.808  -9.094   1.659
  145   HD12  ILE  23          HD12      ILE  23  -6.982  -7.779   1.739
  146   HD13  ILE  23          HD13      ILE  23  -5.754  -7.785   0.474
  147    H    VAL  24           H        VAL  24 -10.839  -8.230   0.905
  148    HA   VAL  24           HA       VAL  24 -10.196  -6.534  -1.409
  149    HB   VAL  24           HB       VAL  24 -12.570  -6.265   0.454
  150   HG11  VAL  24          HG11      VAL  24 -13.238  -4.389  -0.975
  151   HG12  VAL  24          HG12      VAL  24 -11.742  -4.557  -1.894
  152   HG13  VAL  24          HG13      VAL  24 -11.686  -4.082  -0.197
  153   HG21  VAL  24          HG21      VAL  24 -13.899  -6.670  -1.579
  154   HG22  VAL  24          HG22      VAL  24 -12.874  -8.046  -1.167
  155   HG23  VAL  24          HG23      VAL  24 -12.410  -6.961  -2.477
  156    H    VAL  25           H        VAL  25  -8.474  -5.419  -0.852
  157    HA   VAL  25           HA       VAL  25  -8.060  -4.650   1.924
  158    HB   VAL  25           HB       VAL  25  -6.114  -5.584   0.916
  159   HG11  VAL  25          HG11      VAL  25  -6.600  -5.419  -1.396
  160   HG12  VAL  25          HG12      VAL  25  -5.070  -4.586  -1.114
  161   HG13  VAL  25          HG13      VAL  25  -6.551  -3.655  -1.345
  162   HG21  VAL  25          HG21      VAL  25  -4.480  -3.758   1.009
  163   HG22  VAL  25          HG22      VAL  25  -5.627  -3.703   2.348
  164   HG23  VAL  25          HG23      VAL  25  -5.802  -2.591   0.991
  165    H    ARG  26           H        ARG  26  -8.779  -2.799   2.640
  166    HA   ARG  26           HA       ARG  26  -9.319  -0.637   0.713
  167    HB2  ARG  26           HB2      ARG  26 -10.612  -1.282   3.364
  168    HB3  ARG  26           HB1      ARG  26 -10.965   0.158   2.419
  169    HG2  ARG  26           HG2      ARG  26 -11.853  -1.171   0.629
  170    HG3  ARG  26           HG1      ARG  26 -11.362  -2.658   1.439
  171    HD2  ARG  26           HD2      ARG  26 -13.292  -0.672   2.609
  172    HD3  ARG  26           HD1      ARG  26 -13.788  -2.076   1.668
  173    HE   ARG  26           HE       ARG  26 -12.766  -3.471   3.392
  174   HH11  ARG  26          HH11      ARG  26 -13.514  -0.145   4.212
  175   HH12  ARG  26          HH12      ARG  26 -13.564  -0.448   5.920
  176   HH21  ARG  26          HH21      ARG  26 -12.830  -3.876   5.618
  177   HH22  ARG  26          HH22      ARG  26 -13.177  -2.575   6.725
  178    H    TRP  27           H        TRP  27  -8.209   1.179   0.888
  179    HA   TRP  27           HA       TRP  27  -6.793   1.715   3.418
  180    HB2  TRP  27           HB2      TRP  27  -5.074   2.884   2.000
  181    HB3  TRP  27           HB1      TRP  27  -5.148   1.141   1.766
  182    HD1  TRP  27           HD1      TRP  27  -6.172   4.419  -0.006
  183    HE1  TRP  27           HE1      TRP  27  -6.355   3.941  -2.531
  184    HE3  TRP  27           HE3      TRP  27  -5.432  -0.641   0.062
  185    HZ2  TRP  27           HZ2      TRP  27  -6.194   1.724  -4.258
  186    HZ3  TRP  27           HZ3      TRP  27  -5.458  -1.864  -2.072
  187    HH2  TRP  27           HH2      TRP  27  -5.832  -0.703  -4.186
  188    H    SER  28           H        SER  28  -6.657   3.886   4.093
  189    HA   SER  28           HA       SER  28  -8.617   5.662   2.855
  190    HB2  SER  28           HB2      SER  28  -7.118   5.865   5.477
  191    HB3  SER  28           HB1      SER  28  -8.271   7.063   4.891
  192    HG   SER  28           HG       SER  28  -8.883   5.080   6.356
  193    H    ARG  29           H        ARG  29  -7.890   6.941   1.300
  194    HA   ARG  29           HA       ARG  29  -5.067   7.578   1.180
  195    HB2  ARG  29           HB2      ARG  29  -5.537   8.432  -1.059
  196    HB3  ARG  29           HB1      ARG  29  -6.120   6.791  -0.854
  197    HG2  ARG  29           HG2      ARG  29  -7.809   7.844  -2.038
  198    HG3  ARG  29           HG1      ARG  29  -8.396   7.873  -0.375
  199    HD2  ARG  29           HD2      ARG  29  -7.657  10.151  -0.116
  200    HD3  ARG  29           HD1      ARG  29  -6.952  10.139  -1.730
  201    HE   ARG  29           HE       ARG  29  -9.670   9.494  -1.950
  202   HH11  ARG  29          HH11      ARG  29  -7.677  12.249  -1.062
  203   HH12  ARG  29          HH12      ARG  29  -8.825  13.406  -1.667
  204   HH21  ARG  29          HH21      ARG  29 -11.163  11.031  -2.729
  205   HH22  ARG  29          HH22      ARG  29 -10.790  12.722  -2.617
  206    HA   PRO  30           HA       PRO  30  -4.904  11.708   2.762
  207    HB2  PRO  30           HB2      PRO  30  -4.009  12.348  -0.025
  208    HB3  PRO  30           HB1      PRO  30  -3.333  12.879   1.519
  209    HG2  PRO  30           HG2      PRO  30  -2.193  10.910   0.129
  210    HG3  PRO  30           HG1      PRO  30  -2.265  10.865   1.900
  211    HD2  PRO  30           HD2      PRO  30  -3.763   9.267  -0.086
  212    HD3  PRO  30           HD1      PRO  30  -3.358   8.888   1.591
  213    H1   MET  31           HT1      MET  31 -15.106  28.779  -6.852
  214    H2   MET  31           HT2      MET  31 -14.142  29.879  -7.696
  215    H3   MET  31           HT3      MET  31 -13.867  29.601  -6.051
  216    HA   MET  31           HA       MET  31 -13.579  27.575  -8.179
  217    HB2  MET  31           HB2      MET  31 -11.118  27.781  -7.684
  218    HB3  MET  31           HB1      MET  31 -11.830  29.146  -8.526
  219    HG2  MET  31           HG2      MET  31 -11.913  30.398  -6.435
  220    HG3  MET  31           HG1      MET  31 -11.207  29.025  -5.584
  221    HE1  MET  31           HE1      MET  31  -8.268  31.617  -5.608
  222    HE2  MET  31           HE2      MET  31  -9.323  30.613  -4.614
  223    HE3  MET  31           HE3      MET  31  -9.985  31.997  -5.482
  224    H    ARG  32           H        ARG  32 -13.655  25.586  -7.449
  225    HA   ARG  32           HA       ARG  32 -13.828  25.208  -4.560
  226    HB2  ARG  32           HB2      ARG  32 -14.812  22.988  -5.182
  227    HB3  ARG  32           HB1      ARG  32 -15.721  24.383  -5.742
  228    HG2  ARG  32           HG2      ARG  32 -14.803  24.100  -7.979
  229    HG3  ARG  32           HG1      ARG  32 -13.847  22.727  -7.421
  230    HD2  ARG  32           HD2      ARG  32 -16.856  22.915  -7.463
  231    HD3  ARG  32           HD1      ARG  32 -15.855  21.962  -8.557
  232    HE   ARG  32           HE       ARG  32 -15.175  21.062  -6.075
  233   HH11  ARG  32          HH11      ARG  32 -18.161  21.336  -7.879
  234   HH12  ARG  32          HH12      ARG  32 -18.934  20.026  -7.045
  235   HH21  ARG  32          HH21      ARG  32 -16.184  19.319  -4.989
  236   HH22  ARG  32          HH22      ARG  32 -17.807  18.873  -5.411
  237    H    GLY  33           H        GLY  33 -11.535  25.341  -4.215
  238    HA2  GLY  33           HA2      GLY  33  -9.539  24.345  -3.690
  239    HA3  GLY  33           HA1      GLY  33 -10.369  22.808  -3.881
  240    H    SER  34           H        SER  34  -9.870  25.271  -6.351
  241    HA   SER  34           HA       SER  34  -8.275  23.299  -7.849
  242    HB2  SER  34           HB2      SER  34 -10.529  23.836  -8.810
  243    HB3  SER  34           HB1      SER  34  -9.999  25.505  -9.000
  244    HG   SER  34           HG       SER  34  -8.982  24.950 -10.745
  245    H    ASN  35           H        ASN  35  -8.107  26.158  -6.193
  246    HA   ASN  35           HA       ASN  35  -6.382  27.668  -7.890
  247    HB2  ASN  35           HB2      ASN  35  -7.676  28.742  -6.100
  248    HB3  ASN  35           HB1      ASN  35  -6.786  27.819  -4.892
  249   HD21  ASN  35          HD21      ASN  35  -5.944  29.583  -3.858
  250   HD22  ASN  35          HD22      ASN  35  -4.757  30.618  -4.569
  251    H    ALA  36           H        ALA  36  -5.699  26.055  -4.799
  252    HA   ALA  36           HA       ALA  36  -2.901  25.800  -5.628
  253    HB1  ALA  36           HB1      ALA  36  -2.432  25.420  -3.259
  254    HB2  ALA  36           HB2      ALA  36  -4.157  25.521  -2.899
  255    HB3  ALA  36           HB3      ALA  36  -3.298  26.937  -3.509
  256    HA   PRO  37           HA       PRO  37  -3.568  21.431  -6.207
  257    HB2  PRO  37           HB2      PRO  37  -0.968  20.722  -6.481
  258    HB3  PRO  37           HB1      PRO  37  -1.874  21.539  -7.759
  259    HG2  PRO  37           HG2      PRO  37   0.058  22.675  -5.780
  260    HG3  PRO  37           HG1      PRO  37  -0.109  23.028  -7.509
  261    HD2  PRO  37           HD2      PRO  37  -1.107  24.640  -5.562
  262    HD3  PRO  37           HD1      PRO  37  -1.847  24.492  -7.169
  263    H    GLN  38           H        GLN  38  -4.290  21.432  -3.909
  264    HA   GLN  38           HA       GLN  38  -2.566  21.013  -1.749
  265    HB2  GLN  38           HB2      GLN  38  -4.553  20.060  -0.609
  266    HB3  GLN  38           HB1      GLN  38  -4.869  21.606  -1.379
  267    HG2  GLN  38           HG2      GLN  38  -5.924  20.442  -3.257
  268    HG3  GLN  38           HG1      GLN  38  -5.620  18.899  -2.460
  269   HE21  GLN  38          HE21      GLN  38  -6.185  20.034   0.199
  270   HE22  GLN  38          HE22      GLN  38  -7.906  20.177   0.280
  271    HA   PRO  39           HA       PRO  39  -1.096  16.914  -2.480
  272    HB2  PRO  39           HB2      PRO  39  -0.100  16.388  -0.019
  273    HB3  PRO  39           HB1      PRO  39   0.675  17.512  -1.140
  274    HG2  PRO  39           HG2      PRO  39  -1.105  18.088   1.192
  275    HG3  PRO  39           HG1      PRO  39   0.381  18.914   0.686
  276    HD2  PRO  39           HD2      PRO  39  -2.112  19.871   0.156
  277    HD3  PRO  39           HD1      PRO  39  -0.711  20.177  -0.890
  278    H    SER  40           H        SER  40  -3.642  16.603  -2.497
  279    HA   SER  40           HA       SER  40  -3.984  14.179  -0.933
  280    HB2  SER  40           HB2      SER  40  -6.411  14.851  -0.492
  281    HB3  SER  40           HB1      SER  40  -5.186  15.667   0.475
  282    HG   SER  40           HG       SER  40  -6.823  16.659  -1.553
  283    H    HIS  41           H        HIS  41  -3.230  14.339  -3.501
  284    HA   HIS  41           HA       HIS  41  -5.545  13.261  -4.916
  285    HB2  HIS  41           HB2      HIS  41  -5.237  15.734  -5.484
  286    HB3  HIS  41           HB1      HIS  41  -3.724  15.269  -6.250
  287    HD1  HIS  41           HD1      HIS  41  -5.661  16.549  -8.065
  288    HD2  HIS  41           HD2      HIS  41  -5.771  12.460  -7.310
  289    HE1  HIS  41           HE1      HIS  41  -6.865  15.529 -10.024
  290    HE2  HIS  41           HE2      HIS  41  -6.931  13.057  -9.543
  291    H    ILE  42           H        ILE  42  -4.817  11.245  -5.103
  292    HA   ILE  42           HA       ILE  42  -2.001  10.743  -5.650
  293    HB   ILE  42           HB       ILE  42  -4.236   8.814  -4.981
  294   HG12  ILE  42          HG12      ILE  42  -2.822   8.555  -2.847
  295   HG13  ILE  42          HG11      ILE  42  -2.037  10.053  -3.325
  296   HG21  ILE  42          HG21      ILE  42  -2.538   7.734  -6.333
  297   HG22  ILE  42          HG22      ILE  42  -2.457   7.153  -4.669
  298   HG23  ILE  42          HG23      ILE  42  -1.275   8.326  -5.254
  299   HD11  ILE  42          HD11      ILE  42  -4.195  11.200  -3.241
  300   HD12  ILE  42          HD12      ILE  42  -3.777  10.464  -1.696
  301   HD13  ILE  42          HD13      ILE  42  -4.968   9.695  -2.745
  302    H    SER  43           H        SER  43  -1.240   9.813  -7.499
  303    HA   SER  43           HA       SER  43  -3.004   9.952  -9.797
  304    HB2  SER  43           HB2      SER  43  -0.708  10.934  -9.837
  305    HB3  SER  43           HB1      SER  43  -0.048   9.307  -9.683
  306    HG   SER  43           HG       SER  43  -1.639  10.320 -11.808
  307    H    LYS  44           H        LYS  44  -1.285   7.555  -7.903
  308    HA   LYS  44           HA       LYS  44  -2.976   5.467  -8.833
  309    HB2  LYS  44           HB2      LYS  44  -1.156   4.033  -9.771
  310    HB3  LYS  44           HB1      LYS  44  -1.547   5.430 -10.762
  311    HG2  LYS  44           HG2      LYS  44   0.411   6.604  -9.788
  312    HG3  LYS  44           HG1      LYS  44   0.826   5.110  -8.938
  313    HD2  LYS  44           HD2      LYS  44   1.142   3.946 -11.003
  314    HD3  LYS  44           HD1      LYS  44   0.510   5.310 -11.926
  315    HE2  LYS  44           HE2      LYS  44   2.402   6.674 -11.241
  316    HE3  LYS  44           HE1      LYS  44   3.020   5.350 -10.255
  317    HZ1  LYS  44           HZ1      LYS  44   4.115   5.562 -12.443
  318    HZ2  LYS  44           HZ2      LYS  44   2.644   5.200 -13.196
  319    HZ3  LYS  44           HZ3      LYS  44   3.394   4.052 -12.207
  320    H    TYR  45           H        TYR  45  -2.899   3.675  -7.531
  321    HA   TYR  45           HA       TYR  45  -1.117   3.869  -5.190
  322    HB2  TYR  45           HB2      TYR  45  -3.689   2.286  -5.417
  323    HB3  TYR  45           HB1      TYR  45  -2.769   2.616  -3.957
  324    HD1  TYR  45           HD1      TYR  45  -5.104   3.989  -6.417
  325    HD2  TYR  45           HD2      TYR  45  -2.940   4.765  -2.839
  326    HE1  TYR  45           HE1      TYR  45  -6.503   5.966  -6.010
  327    HE2  TYR  45           HE2      TYR  45  -4.335   6.749  -2.422
  328    HH   TYR  45           HH       TYR  45  -7.217   7.348  -4.037
  329    H    ILE  46           H        ILE  46   0.451   2.373  -5.064
  330    HA   ILE  46           HA       ILE  46   0.247   0.048  -6.840
  331    HB   ILE  46           HB       ILE  46   2.618   1.407  -5.575
  332   HG12  ILE  46          HG12      ILE  46   3.408   1.356  -7.981
  333   HG13  ILE  46          HG11      ILE  46   1.808   0.774  -8.418
  334   HG21  ILE  46          HG21      ILE  46   2.628  -1.267  -6.967
  335   HG22  ILE  46          HG22      ILE  46   2.933  -0.984  -5.252
  336   HG23  ILE  46          HG23      ILE  46   4.052  -0.357  -6.461
  337   HD11  ILE  46          HD11      ILE  46   0.832   2.836  -7.527
  338   HD12  ILE  46          HD12      ILE  46   2.000   3.152  -8.811
  339   HD13  ILE  46          HD13      ILE  46   2.448   3.412  -7.127
  340    H    LEU  47           H        LEU  47  -0.310  -1.818  -6.014
  341    HA   LEU  47           HA       LEU  47   0.022  -2.282  -3.124
  342    HB2  LEU  47           HB2      LEU  47  -2.266  -2.402  -4.422
  343    HB3  LEU  47           HB1      LEU  47  -1.678  -3.964  -4.941
  344    HG   LEU  47           HG       LEU  47  -3.170  -4.271  -3.090
  345   HD11  LEU  47          HD11      LEU  47  -1.357  -5.816  -3.098
  346   HD12  LEU  47          HD12      LEU  47  -1.711  -5.372  -1.429
  347   HD13  LEU  47          HD13      LEU  47  -0.313  -4.677  -2.250
  348   HD21  LEU  47          HD21      LEU  47  -2.781  -3.300  -0.890
  349   HD22  LEU  47          HD22      LEU  47  -3.033  -2.052  -2.112
  350   HD23  LEU  47          HD23      LEU  47  -1.405  -2.397  -1.526
  351    H    ARG  48           H        ARG  48   1.777  -3.463  -2.672
  352    HA   ARG  48           HA       ARG  48   2.506  -5.642  -4.530
  353    HB2  ARG  48           HB2      ARG  48   4.396  -4.144  -2.707
  354    HB3  ARG  48           HB1      ARG  48   4.825  -5.356  -3.902
  355    HG2  ARG  48           HG2      ARG  48   4.070  -3.848  -5.684
  356    HG3  ARG  48           HG1      ARG  48   3.690  -2.629  -4.466
  357    HD2  ARG  48           HD2      ARG  48   6.404  -3.784  -5.085
  358    HD3  ARG  48           HD1      ARG  48   5.845  -2.149  -5.435
  359    HE   ARG  48           HE       ARG  48   5.552  -2.238  -2.791
  360   HH11  ARG  48          HH11      ARG  48   8.214  -3.207  -4.829
  361   HH12  ARG  48          HH12      ARG  48   9.425  -2.915  -3.622
  362   HH21  ARG  48          HH21      ARG  48   7.158  -1.850  -1.172
  363   HH22  ARG  48          HH22      ARG  48   8.825  -2.139  -1.552
  364    H    TRP  49           H        TRP  49   2.521  -7.657  -3.663
  365    HA   TRP  49           HA       TRP  49   2.805  -7.859  -0.755
  366    HB2  TRP  49           HB2      TRP  49   1.027  -9.490  -0.567
  367    HB3  TRP  49           HB1      TRP  49   0.400  -8.005  -1.262
  368    HD1  TRP  49           HD1      TRP  49   0.699 -11.684  -1.905
  369    HE1  TRP  49           HE1      TRP  49  -0.450 -12.276  -4.128
  370    HE3  TRP  49           HE3      TRP  49   0.006  -6.965  -3.732
  371    HZ2  TRP  49           HZ2      TRP  49  -1.505 -10.916  -6.369
  372    HZ3  TRP  49           HZ3      TRP  49  -1.086  -6.694  -5.920
  373    HH2  TRP  49           HH2      TRP  49  -1.825  -8.627  -7.208
  374    H    ARG  50           H        ARG  50   3.977  -9.504  -0.017
  375    HA   ARG  50           HA       ARG  50   5.024 -11.424  -1.993
  376    HB2  ARG  50           HB2      ARG  50   6.726  -9.745  -1.391
  377    HB3  ARG  50           HB1      ARG  50   6.517 -10.145   0.307
  378    HG2  ARG  50           HG2      ARG  50   7.279 -12.445  -0.177
  379    HG3  ARG  50           HG1      ARG  50   7.581 -11.959  -1.847
  380    HD2  ARG  50           HD2      ARG  50   9.651 -11.866  -0.646
  381    HD3  ARG  50           HD1      ARG  50   9.134 -10.216  -0.993
  382    HE   ARG  50           HE       ARG  50   8.227 -11.040   1.569
  383   HH11  ARG  50          HH11      ARG  50  11.080  -9.947  -0.141
  384   HH12  ARG  50          HH12      ARG  50  11.860  -9.351   1.285
  385   HH21  ARG  50          HH21      ARG  50   9.246 -10.260   3.456
  386   HH22  ARG  50          HH22      ARG  50  10.822  -9.524   3.329
  387    HA   PRO  51           HA       PRO  51   3.480 -14.375   1.048
  388    HB2  PRO  51           HB2      PRO  51   4.865 -16.308  -0.678
  389    HB3  PRO  51           HB1      PRO  51   3.154 -16.219  -0.255
  390    HG2  PRO  51           HG2      PRO  51   4.069 -15.636  -2.729
  391    HG3  PRO  51           HG1      PRO  51   2.653 -14.840  -2.023
  392    HD2  PRO  51           HD2      PRO  51   5.444 -13.829  -2.327
  393    HD3  PRO  51           HD1      PRO  51   3.901 -12.962  -2.483
  394    H    LYS  52           H        LYS  52   4.529 -15.207   2.804
  395    HA   LYS  52           HA       LYS  52   7.247 -14.602   3.217
  396    HB2  LYS  52           HB2      LYS  52   5.129 -15.978   4.742
  397    HB3  LYS  52           HB1      LYS  52   6.779 -16.402   5.174
  398    HG2  LYS  52           HG2      LYS  52   5.725 -13.585   5.072
  399    HG3  LYS  52           HG1      LYS  52   5.832 -14.565   6.536
  400    HD2  LYS  52           HD2      LYS  52   8.262 -14.777   6.192
  401    HD3  LYS  52           HD1      LYS  52   8.137 -13.754   4.761
  402    HE2  LYS  52           HE2      LYS  52   8.892 -12.435   6.630
  403    HE3  LYS  52           HE1      LYS  52   7.264 -11.937   6.175
  404    HZ1  LYS  52           HZ1      LYS  52   7.949 -13.733   8.437
  405    HZ2  LYS  52           HZ2      LYS  52   6.390 -13.243   8.006
  406    HZ3  LYS  52           HZ3      LYS  52   7.506 -12.106   8.566
  407    H    ASN  53           H        ASN  53   5.742 -17.319   1.774
  408    HA   ASN  53           HA       ASN  53   7.989 -19.086   2.084
  409    HB2  ASN  53           HB2      ASN  53   6.807 -20.480   0.377
  410    HB3  ASN  53           HB1      ASN  53   5.821 -20.093   1.782
  411   HD21  ASN  53          HD21      ASN  53   6.300 -19.568  -1.619
  412   HD22  ASN  53          HD22      ASN  53   4.778 -18.793  -1.910
  413    H    SER  54           H        SER  54   7.398 -16.367   0.244
  414    HA   SER  54           HA       SER  54   9.338 -17.152  -1.820
  415    HB2  SER  54           HB2      SER  54   7.545 -14.709  -1.730
  416    HB3  SER  54           HB1      SER  54   8.519 -15.253  -3.096
  417    HG   SER  54           HG       SER  54   6.829 -17.182  -2.151
  418    H    VAL  55           H        VAL  55  11.358 -16.341  -1.699
  419    HA   VAL  55           HA       VAL  55  12.003 -14.757   0.618
  420    HB   VAL  55           HB       VAL  55  14.357 -15.032  -0.062
  421   HG11  VAL  55          HG11      VAL  55  14.473 -17.445   0.287
  422   HG12  VAL  55          HG12      VAL  55  12.755 -17.584  -0.083
  423   HG13  VAL  55          HG13      VAL  55  13.279 -16.700   1.350
  424   HG21  VAL  55          HG21      VAL  55  14.096 -15.046  -2.479
  425   HG22  VAL  55          HG22      VAL  55  13.211 -16.569  -2.390
  426   HG23  VAL  55          HG23      VAL  55  14.914 -16.512  -1.941
  427    H    GLY  56           H        GLY  56  11.838 -14.198  -2.866
  428    HA2  GLY  56           HA2      GLY  56  12.370 -11.367  -2.336
  429    HA3  GLY  56           HA1      GLY  56  13.448 -12.200  -3.435
  430    H    ARG  57           H        ARG  57  10.190 -13.240  -3.554
  431    HA   ARG  57           HA       ARG  57   9.865 -11.668  -6.009
  432    HB2  ARG  57           HB2      ARG  57   8.597 -14.280  -5.221
  433    HB3  ARG  57           HB1      ARG  57   8.106 -13.312  -6.609
  434    HG2  ARG  57           HG2      ARG  57  10.867 -14.437  -6.196
  435    HG3  ARG  57           HG1      ARG  57   9.616 -15.166  -7.207
  436    HD2  ARG  57           HD2      ARG  57   9.542 -13.078  -8.536
  437    HD3  ARG  57           HD1      ARG  57  10.880 -12.454  -7.575
  438    HE   ARG  57           HE       ARG  57  11.739 -14.875  -8.568
  439   HH11  ARG  57          HH11      ARG  57  10.606 -11.845  -9.897
  440   HH12  ARG  57          HH12      ARG  57  11.561 -11.965 -11.341
  441   HH21  ARG  57          HH21      ARG  57  12.989 -15.056 -10.479
  442   HH22  ARG  57          HH22      ARG  57  12.917 -13.797 -11.670
  443    H    TRP  58           H        TRP  58   8.745  -9.976  -5.762
  444    HA   TRP  58           HA       TRP  58   6.464  -9.880  -3.934
  445    HB2  TRP  58           HB2      TRP  58   7.947  -7.708  -5.424
  446    HB3  TRP  58           HB1      TRP  58   6.472  -7.418  -4.509
  447    HD1  TRP  58           HD1      TRP  58  10.170  -8.313  -4.013
  448    HE1  TRP  58           HE1      TRP  58  10.803  -7.842  -1.562
  449    HE3  TRP  58           HE3      TRP  58   5.525  -7.213  -2.182
  450    HZ2  TRP  58           HZ2      TRP  58   9.494  -7.109   0.832
  451    HZ3  TRP  58           HZ3      TRP  58   5.301  -6.641   0.200
  452    HH2  TRP  58           HH2      TRP  58   7.247  -6.591   1.674
  453    H    LYS  59           H        LYS  59   4.393  -9.807  -4.662
  454    HA   LYS  59           HA       LYS  59   3.990  -9.782  -7.566
  455    HB2  LYS  59           HB2      LYS  59   1.986 -10.359  -5.374
  456    HB3  LYS  59           HB1      LYS  59   1.755 -10.608  -7.101
  457    HG2  LYS  59           HG2      LYS  59   3.585 -12.273  -7.063
  458    HG3  LYS  59           HG1      LYS  59   3.684 -12.075  -5.313
  459    HD2  LYS  59           HD2      LYS  59   2.371 -14.029  -5.812
  460    HD3  LYS  59           HD1      LYS  59   1.315 -12.784  -5.148
  461    HE2  LYS  59           HE2      LYS  59   0.486 -12.237  -7.324
  462    HE3  LYS  59           HE1      LYS  59   1.677 -13.283  -8.094
  463    HZ1  LYS  59           HZ1      LYS  59   0.610 -15.190  -7.106
  464    HZ2  LYS  59           HZ2      LYS  59  -0.517 -14.299  -7.996
  465    HZ3  LYS  59           HZ3      LYS  59  -0.507 -14.202  -6.309
  466    H    GLU  60           H        GLU  60   3.021  -8.081  -8.580
  467    HA   GLU  60           HA       GLU  60   2.448  -5.775  -6.836
  468    HB2  GLU  60           HB2      GLU  60   3.872  -5.710  -9.498
  469    HB3  GLU  60           HB1      GLU  60   3.593  -4.346  -8.423
  470    HG2  GLU  60           HG2      GLU  60   5.054  -5.291  -6.764
  471    HG3  GLU  60           HG1      GLU  60   5.248  -6.758  -7.721
  472    H    ALA  61           H        ALA  61   0.720  -4.569  -7.271
  473    HA   ALA  61           HA       ALA  61  -0.613  -4.860  -9.874
  474    HB1  ALA  61           HB1      ALA  61  -1.855  -6.211  -8.278
  475    HB2  ALA  61           HB2      ALA  61  -2.796  -4.790  -8.737
  476    HB3  ALA  61           HB3      ALA  61  -1.971  -4.837  -7.178
  477    H    THR  62           H        THR  62  -1.370  -2.965 -10.735
  478    HA   THR  62           HA       THR  62  -0.813  -0.531  -9.188
  479    HB   THR  62           HB       THR  62  -1.179  -0.806 -12.179
  480    HG1  THR  62           HG1      THR  62   0.767  -1.791 -11.166
  481   HG21  THR  62          HG21      THR  62  -1.732   1.425 -11.319
  482   HG22  THR  62          HG22      THR  62  -0.244   1.458 -12.265
  483   HG23  THR  62          HG23      THR  62  -0.170   1.499 -10.504
  484    H    ILE  63           H        ILE  63  -2.459   0.583  -8.426
  485    HA   ILE  63           HA       ILE  63  -5.142   0.080  -9.528
  486    HB   ILE  63           HB       ILE  63  -4.311   0.986  -6.764
  487   HG12  ILE  63          HG12      ILE  63  -5.671  -1.173  -6.204
  488   HG13  ILE  63          HG11      ILE  63  -5.346  -1.600  -7.878
  489   HG21  ILE  63          HG21      ILE  63  -6.667   0.936  -6.166
  490   HG22  ILE  63          HG22      ILE  63  -7.089   0.537  -7.830
  491   HG23  ILE  63          HG23      ILE  63  -6.369   2.102  -7.456
  492   HD11  ILE  63          HD11      ILE  63  -3.731  -2.612  -6.383
  493   HD12  ILE  63          HD12      ILE  63  -3.282  -1.021  -5.767
  494   HD13  ILE  63          HD13      ILE  63  -2.949  -1.443  -7.447
  495    HA   PRO  64           HA       PRO  64  -5.108   4.225 -11.234
  496    HB2  PRO  64           HB2      PRO  64  -8.033   3.847 -10.729
  497    HB3  PRO  64           HB1      PRO  64  -7.209   4.433 -12.182
  498    HG2  PRO  64           HG2      PRO  64  -8.148   1.957 -12.092
  499    HG3  PRO  64           HG1      PRO  64  -6.571   2.289 -12.835
  500    HD2  PRO  64           HD2      PRO  64  -7.202   1.073 -10.186
  501    HD3  PRO  64           HD1      PRO  64  -5.878   0.710 -11.309
  502    H    GLY  65           H        GLY  65  -5.311   6.307 -10.471
  503    HA2  GLY  65           HA2      GLY  65  -5.202   6.488  -7.612
  504    HA3  GLY  65           HA1      GLY  65  -4.902   7.785  -8.753
  505    H    HIS  66           H        HIS  66  -7.819   5.819  -8.243
  506    HA   HIS  66           HA       HIS  66  -9.099   8.003  -6.846
  507    HB2  HIS  66           HB2      HIS  66 -10.932   8.338  -8.322
  508    HB3  HIS  66           HB1      HIS  66  -9.484   8.464  -9.306
  509    HD1  HIS  66           HD1      HIS  66 -12.687   7.350  -9.736
  510    HD2  HIS  66           HD2      HIS  66  -9.034   5.450 -10.268
  511    HE1  HIS  66           HE1      HIS  66 -13.121   5.496 -11.376
  512    HE2  HIS  66           HE2      HIS  66 -10.873   4.434 -11.772
  513    H    LEU  67           H        LEU  67  -8.264   5.107  -6.632
  514    HA   LEU  67           HA       LEU  67 -10.869   4.029  -5.779
  515    HB2  LEU  67           HB2      LEU  67  -8.458   2.431  -6.644
  516    HB3  LEU  67           HB1      LEU  67 -10.037   1.798  -6.233
  517    HG   LEU  67           HG       LEU  67  -9.304   3.421  -8.669
  518   HD11  LEU  67          HD11      LEU  67 -10.038   1.427  -9.876
  519   HD12  LEU  67          HD12      LEU  67 -10.323   0.607  -8.341
  520   HD13  LEU  67          HD13      LEU  67  -8.690   1.083  -8.796
  521   HD21  LEU  67          HD21      LEU  67 -12.024   2.457  -7.798
  522   HD22  LEU  67          HD22      LEU  67 -11.634   3.201  -9.351
  523   HD23  LEU  67          HD23      LEU  67 -11.483   4.135  -7.866
  524    H    ASN  68           H        ASN  68 -10.909   2.900  -3.791
  525    HA   ASN  68           HA       ASN  68  -8.511   3.296  -2.124
  526    HB2  ASN  68           HB2      ASN  68  -9.917   3.838  -0.217
  527    HB3  ASN  68           HB1      ASN  68 -10.260   4.943  -1.541
  528   HD21  ASN  68          HD21      ASN  68 -11.869   4.153   0.780
  529   HD22  ASN  68          HD22      ASN  68 -13.361   3.562   0.139
  530    H    SER  69           H        SER  69  -9.987   1.002  -3.626
  531    HA   SER  69           HA       SER  69  -9.454  -0.960  -1.564
  532    HB2  SER  69           HB2      SER  69 -11.667  -2.096  -1.992
  533    HB3  SER  69           HB1      SER  69 -11.776  -0.562  -1.131
  534    HG   SER  69           HG       SER  69 -13.155  -0.080  -2.636
  535    H    TYR  70           H        TYR  70  -8.771  -2.895  -2.370
  536    HA   TYR  70           HA       TYR  70  -9.119  -3.418  -5.231
  537    HB2  TYR  70           HB2      TYR  70  -6.906  -2.373  -4.996
  538    HB3  TYR  70           HB1      TYR  70  -6.463  -3.568  -3.782
  539    HD1  TYR  70           HD1      TYR  70  -5.284  -5.447  -4.457
  540    HD2  TYR  70           HD2      TYR  70  -7.644  -3.366  -7.320
  541    HE1  TYR  70           HE1      TYR  70  -4.446  -6.940  -6.223
  542    HE2  TYR  70           HE2      TYR  70  -6.810  -4.850  -9.092
  543    HH   TYR  70           HH       TYR  70  -4.864  -6.289  -9.527
  544    H    THR  71           H        THR  71  -9.275  -5.578  -5.756
  545    HA   THR  71           HA       THR  71  -9.616  -7.382  -3.483
  546    HB   THR  71           HB       THR  71 -10.374  -7.811  -6.380
  547    HG1  THR  71           HG1      THR  71 -11.439  -6.056  -4.983
  548   HG21  THR  71          HG21      THR  71 -11.825  -9.581  -5.478
  549   HG22  THR  71          HG22      THR  71 -11.190  -9.272  -3.861
  550   HG23  THR  71          HG23      THR  71 -10.126  -9.894  -5.123
  551    H    ILE  72           H        ILE  72  -7.652  -8.191  -2.940
  552    HA   ILE  72           HA       ILE  72  -5.797  -9.093  -4.981
  553    HB   ILE  72           HB       ILE  72  -5.581  -9.525  -1.998
  554   HG12  ILE  72          HG12      ILE  72  -4.469  -7.250  -3.657
  555   HG13  ILE  72          HG11      ILE  72  -5.782  -7.116  -2.491
  556   HG21  ILE  72          HG21      ILE  72  -4.146 -10.953  -3.340
  557   HG22  ILE  72          HG22      ILE  72  -3.185  -9.748  -2.482
  558   HG23  ILE  72          HG23      ILE  72  -3.522  -9.545  -4.201
  559   HD11  ILE  72          HD11      ILE  72  -4.179  -7.875  -0.733
  560   HD12  ILE  72          HD12      ILE  72  -3.802  -6.312  -1.454
  561   HD13  ILE  72          HD13      ILE  72  -2.897  -7.749  -1.937
  562    H    LYS  73           H        LYS  73  -5.789 -11.075  -5.798
  563    HA   LYS  73           HA       LYS  73  -7.418 -13.125  -4.462
  564    HB2  LYS  73           HB2      LYS  73  -6.555 -12.937  -7.359
  565    HB3  LYS  73           HB1      LYS  73  -7.596 -14.178  -6.675
  566    HG2  LYS  73           HG2      LYS  73  -9.299 -12.540  -6.184
  567    HG3  LYS  73           HG1      LYS  73  -8.245 -11.238  -6.736
  568    HD2  LYS  73           HD2      LYS  73  -8.255 -12.181  -8.990
  569    HD3  LYS  73           HD1      LYS  73  -9.295 -13.495  -8.438
  570    HE2  LYS  73           HE2      LYS  73 -11.031 -11.874  -7.850
  571    HE3  LYS  73           HE1      LYS  73  -9.990 -10.559  -8.395
  572    HZ1  LYS  73           HZ1      LYS  73 -11.615 -11.158 -10.073
  573    HZ2  LYS  73           HZ2      LYS  73 -11.047 -12.750 -10.100
  574    HZ3  LYS  73           HZ3      LYS  73 -10.050 -11.489 -10.625
  575    H    GLY  74           H        GLY  74  -6.595 -15.251  -4.280
  576    HA2  GLY  74           HA2      GLY  74  -4.942 -16.916  -4.439
  577    HA3  GLY  74           HA1      GLY  74  -3.810 -15.708  -5.031
  578    H    LEU  75           H        LEU  75  -5.648 -14.907  -2.229
  579    HA   LEU  75           HA       LEU  75  -3.220 -15.175  -0.606
  580    HB2  LEU  75           HB2      LEU  75  -5.799 -13.727   0.005
  581    HB3  LEU  75           HB1      LEU  75  -4.383 -13.753   1.036
  582    HG   LEU  75           HG       LEU  75  -4.741 -12.363  -1.604
  583   HD11  LEU  75          HD11      LEU  75  -5.438 -11.199   0.424
  584   HD12  LEU  75          HD12      LEU  75  -4.049 -10.420  -0.329
  585   HD13  LEU  75          HD13      LEU  75  -3.829 -11.421   1.106
  586   HD21  LEU  75          HD21      LEU  75  -2.144 -12.860  -0.147
  587   HD22  LEU  75          HD22      LEU  75  -2.360 -11.774  -1.518
  588   HD23  LEU  75          HD23      LEU  75  -2.594 -13.509  -1.723
  589    H    LYS  76           H        LYS  76  -3.025 -16.777   0.802
  590    HA   LYS  76           HA       LYS  76  -5.359 -18.493   1.235
  591    HB2  LYS  76           HB2      LYS  76  -2.427 -19.113   1.627
  592    HB3  LYS  76           HB1      LYS  76  -3.759 -20.259   1.733
  593    HG2  LYS  76           HG2      LYS  76  -4.235 -19.940  -0.634
  594    HG3  LYS  76           HG1      LYS  76  -2.917 -18.769  -0.745
  595    HD2  LYS  76           HD2      LYS  76  -1.334 -20.523  -0.056
  596    HD3  LYS  76           HD1      LYS  76  -2.661 -21.683  -0.015
  597    HE2  LYS  76           HE2      LYS  76  -3.065 -21.250  -2.410
  598    HE3  LYS  76           HE1      LYS  76  -1.669 -20.174  -2.425
  599    HZ1  LYS  76           HZ1      LYS  76  -0.289 -22.056  -1.762
  600    HZ2  LYS  76           HZ2      LYS  76  -1.066 -22.346  -3.232
  601    HZ3  LYS  76           HZ3      LYS  76  -1.634 -23.078  -1.817
  602    HA   PRO  77           HA       PRO  77  -5.338 -17.059   5.499
  603    HB2  PRO  77           HB2      PRO  77  -7.236 -19.281   5.858
  604    HB3  PRO  77           HB1      PRO  77  -7.455 -17.559   6.176
  605    HG2  PRO  77           HG2      PRO  77  -8.663 -18.788   4.115
  606    HG3  PRO  77           HG1      PRO  77  -8.109 -17.108   4.015
  607    HD2  PRO  77           HD2      PRO  77  -6.865 -19.586   2.901
  608    HD3  PRO  77           HD1      PRO  77  -6.976 -17.962   2.194
  609    H    GLY  78           H        GLY  78  -3.706 -17.650   6.742
  610    HA2  GLY  78           HA2      GLY  78  -2.868 -19.319   8.341
  611    HA3  GLY  78           HA1      GLY  78  -3.161 -20.535   7.100
  612    H    VAL  79           H        VAL  79  -2.218 -18.505   5.078
  613    HA   VAL  79           HA       VAL  79   0.659 -18.977   5.409
  614    HB   VAL  79           HB       VAL  79  -0.886 -18.121   2.946
  615   HG11  VAL  79          HG11      VAL  79   1.424 -17.356   2.888
  616   HG12  VAL  79          HG12      VAL  79   1.160 -18.656   1.724
  617   HG13  VAL  79          HG13      VAL  79   1.982 -18.993   3.246
  618   HG21  VAL  79          HG21      VAL  79  -1.457 -20.397   3.585
  619   HG22  VAL  79          HG22      VAL  79   0.255 -20.813   3.669
  620   HG23  VAL  79          HG23      VAL  79  -0.471 -20.385   2.121
  621    H    VAL  80           H        VAL  80   2.087 -17.272   5.532
  622    HA   VAL  80           HA       VAL  80   0.857 -14.741   6.239
  623    HB   VAL  80           HB       VAL  80   3.769 -15.531   6.401
  624   HG11  VAL  80          HG11      VAL  80   2.233 -13.240   7.621
  625   HG12  VAL  80          HG12      VAL  80   3.485 -13.136   6.381
  626   HG13  VAL  80          HG13      VAL  80   3.900 -13.660   8.013
  627   HG21  VAL  80          HG21      VAL  80   3.354 -15.928   8.776
  628   HG22  VAL  80          HG22      VAL  80   2.367 -16.993   7.775
  629   HG23  VAL  80          HG23      VAL  80   1.641 -15.581   8.541
  630    H    TYR  81           H        TYR  81   0.773 -13.032   4.993
  631    HA   TYR  81           HA       TYR  81   2.592 -12.839   2.680
  632    HB2  TYR  81           HB2      TYR  81  -0.320 -12.086   2.918
  633    HB3  TYR  81           HB1      TYR  81   0.712 -11.448   1.647
  634    HD1  TYR  81           HD1      TYR  81   1.225 -12.728  -0.266
  635    HD2  TYR  81           HD2      TYR  81  -0.775 -14.557   3.011
  636    HE1  TYR  81           HE1      TYR  81   0.732 -14.682  -1.666
  637    HE2  TYR  81           HE2      TYR  81  -1.264 -16.524   1.619
  638    HH   TYR  81           HH       TYR  81  -1.530 -16.902  -1.003
  639    H    GLU  82           H        GLU  82   3.681 -10.967   2.442
  640    HA   GLU  82           HA       GLU  82   3.144  -8.820   4.386
  641    HB2  GLU  82           HB2      GLU  82   5.577  -9.293   2.654
  642    HB3  GLU  82           HB1      GLU  82   5.406  -8.036   3.869
  643    HG2  GLU  82           HG2      GLU  82   5.209  -9.767   5.601
  644    HG3  GLU  82           HG1      GLU  82   5.454 -11.001   4.365
  645    H    GLY  83           H        GLY  83   2.222  -6.971   3.662
  646    HA2  GLY  83           HA2      GLY  83   2.299  -6.527   0.746
  647    HA3  GLY  83           HA1      GLY  83   0.820  -6.324   1.673
  648    H    GLN  84           H        GLN  84   2.268  -4.443  -0.014
  649    HA   GLN  84           HA       GLN  84   2.540  -2.290   1.955
  650    HB2  GLN  84           HB2      GLN  84   4.483  -2.812  -0.302
  651    HB3  GLN  84           HB1      GLN  84   4.500  -1.400   0.747
  652    HG2  GLN  84           HG2      GLN  84   4.899  -2.858   2.673
  653    HG3  GLN  84           HG1      GLN  84   4.919  -4.252   1.601
  654   HE21  GLN  84          HE21      GLN  84   6.991  -4.772   2.201
  655   HE22  GLN  84          HE22      GLN  84   8.372  -3.877   1.654
  656    H    LEU  85           H        LEU  85   1.452  -0.537   1.406
  657    HA   LEU  85           HA       LEU  85   0.471  -0.294  -1.358
  658    HB2  LEU  85           HB2      LEU  85  -1.205  -0.471   0.505
  659    HB3  LEU  85           HB1      LEU  85  -0.579   1.027   1.154
  660    HG   LEU  85           HG       LEU  85  -2.751   1.137  -0.180
  661   HD11  LEU  85          HD11      LEU  85  -0.467   2.914  -1.016
  662   HD12  LEU  85          HD12      LEU  85  -1.491   3.130   0.404
  663   HD13  LEU  85          HD13      LEU  85  -2.183   3.274  -1.211
  664   HD21  LEU  85          HD21      LEU  85  -2.602   1.219  -2.575
  665   HD22  LEU  85          HD22      LEU  85  -1.983  -0.333  -2.014
  666   HD23  LEU  85          HD23      LEU  85  -0.864   0.932  -2.518
  667    H    ILE  86           H        ILE  86   1.575   1.102  -2.553
  668    HA   ILE  86           HA       ILE  86   2.877   3.379  -1.212
  669    HB   ILE  86           HB       ILE  86   3.512   2.372  -3.993
  670   HG12  ILE  86          HG12      ILE  86   5.686   1.604  -2.726
  671   HG13  ILE  86          HG11      ILE  86   4.619   1.554  -1.329
  672   HG21  ILE  86          HG21      ILE  86   4.093   4.715  -3.467
  673   HG22  ILE  86          HG22      ILE  86   5.510   3.715  -3.775
  674   HG23  ILE  86          HG23      ILE  86   5.078   4.143  -2.119
  675   HD11  ILE  86          HD11      ILE  86   3.163  -0.016  -2.538
  676   HD12  ILE  86          HD12      ILE  86   4.798  -0.631  -2.305
  677   HD13  ILE  86          HD13      ILE  86   4.308  -0.006  -3.880
  678    H    SER  87           H        SER  87   1.746   5.192  -1.363
  679    HA   SER  87           HA       SER  87  -0.112   5.569  -3.574
  680    HB2  SER  87           HB2      SER  87  -0.753   7.627  -2.236
  681    HB3  SER  87           HB1      SER  87  -1.020   6.084  -1.426
  682    HG   SER  87           HG       SER  87   1.050   7.965  -0.996
  683    H    ILE  88           H        ILE  88   0.780   6.337  -5.398
  684    HA   ILE  88           HA       ILE  88   2.966   8.269  -5.233
  685    HB   ILE  88           HB       ILE  88   1.692   7.237  -7.763
  686   HG12  ILE  88          HG12      ILE  88   2.426   5.312  -6.419
  687   HG13  ILE  88          HG11      ILE  88   3.432   5.516  -7.849
  688   HG21  ILE  88          HG21      ILE  88   4.413   8.409  -7.168
  689   HG22  ILE  88          HG22      ILE  88   3.092   9.206  -8.021
  690   HG23  ILE  88          HG23      ILE  88   3.887   7.802  -8.738
  691   HD11  ILE  88          HD11      ILE  88   4.156   6.368  -5.057
  692   HD12  ILE  88          HD12      ILE  88   5.170   6.529  -6.491
  693   HD13  ILE  88          HD13      ILE  88   4.744   4.928  -5.888
  694    H    GLN  89           H        GLN  89   2.195  10.236  -4.712
  695    HA   GLN  89           HA       GLN  89  -0.241  11.252  -5.870
  696    HB2  GLN  89           HB2      GLN  89   1.841  12.416  -4.049
  697    HB3  GLN  89           HB1      GLN  89   0.558  13.408  -4.728
  698    HG2  GLN  89           HG2      GLN  89  -1.092  11.854  -3.715
  699    HG3  GLN  89           HG1      GLN  89   0.247  11.019  -2.927
  700   HE21  GLN  89          HE21      GLN  89   1.271  11.981  -1.197
  701   HE22  GLN  89          HE22      GLN  89   0.664  13.399  -0.412
  702    H    GLN  90           H        GLN  90  -0.315  13.264  -7.041
  703    HA   GLN  90           HA       GLN  90   1.220  13.067  -9.412
  704    HB2  GLN  90           HB2      GLN  90  -0.534  15.352  -8.514
  705    HB3  GLN  90           HB1      GLN  90  -0.071  14.971 -10.166
  706    HG2  GLN  90           HG2      GLN  90  -1.337  12.907 -10.071
  707    HG3  GLN  90           HG1      GLN  90  -1.761  13.224  -8.392
  708   HE21  GLN  90          HE21      GLN  90  -2.118  16.105  -8.913
  709   HE22  GLN  90          HE22      GLN  90  -3.622  16.242  -9.744
  710    H    TYR  91           H        TYR  91   2.014  14.394  -6.500
  711    HA   TYR  91           HA       TYR  91   3.670  16.527  -7.656
  712    HB2  TYR  91           HB2      TYR  91   3.192  16.166  -4.711
  713    HB3  TYR  91           HB1      TYR  91   3.550  17.644  -5.603
  714    HD1  TYR  91           HD1      TYR  91   1.724  18.498  -7.223
  715    HD2  TYR  91           HD2      TYR  91   0.990  15.640  -4.159
  716    HE1  TYR  91           HE1      TYR  91  -0.681  18.993  -7.343
  717    HE2  TYR  91           HE2      TYR  91  -1.416  16.131  -4.269
  718    HH   TYR  91           HH       TYR  91  -2.871  18.039  -4.977
  719    H    GLY  92           H        GLY  92   4.054  13.502  -7.416
  720    HA2  GLY  92           HA2      GLY  92   5.927  12.176  -7.337
  721    HA3  GLY  92           HA1      GLY  92   6.869  13.598  -6.897
  722    H    HIS  93           H        HIS  93   4.306  13.379  -4.819
  723    HA   HIS  93           HA       HIS  93   5.892  12.488  -2.624
  724    HB2  HIS  93           HB2      HIS  93   3.086  13.406  -3.009
  725    HB3  HIS  93           HB1      HIS  93   3.426  12.439  -1.584
  726    HD1  HIS  93           HD1      HIS  93   3.327  14.151   0.225
  727    HD2  HIS  93           HD2      HIS  93   5.701  15.351  -2.978
  728    HE1  HIS  93           HE1      HIS  93   4.435  16.289   0.959
  729    HE2  HIS  93           HE2      HIS  93   5.933  16.950  -0.960
  730    H    GLN  94           H        GLN  94   6.306  10.452  -2.117
  731    HA   GLN  94           HA       GLN  94   4.344   8.389  -2.866
  732    HB2  GLN  94           HB2      GLN  94   7.349   8.057  -2.821
  733    HB3  GLN  94           HB1      GLN  94   6.169   6.849  -3.306
  734    HG2  GLN  94           HG2      GLN  94   5.558   8.172  -5.233
  735    HG3  GLN  94           HG1      GLN  94   6.650   9.454  -4.725
  736   HE21  GLN  94          HE21      GLN  94   6.619   7.908  -7.195
  737   HE22  GLN  94          HE22      GLN  94   8.174   7.161  -7.311
  738    H    GLU  95           H        GLU  95   3.547   7.425  -1.127
  739    HA   GLU  95           HA       GLU  95   5.292   7.146   1.220
  740    HB2  GLU  95           HB2      GLU  95   2.328   7.683   1.109
  741    HB3  GLU  95           HB1      GLU  95   3.142   7.117   2.562
  742    HG2  GLU  95           HG2      GLU  95   3.703   9.682   1.093
  743    HG3  GLU  95           HG1      GLU  95   2.836   9.517   2.619
  744    H    VAL  96           H        VAL  96   5.599   5.167   1.958
  745    HA   VAL  96           HA       VAL  96   4.072   2.992   0.700
  746    HB   VAL  96           HB       VAL  96   6.799   2.857   1.995
  747   HG11  VAL  96          HG11      VAL  96   5.637   0.743   2.102
  748   HG12  VAL  96          HG12      VAL  96   6.939   0.653   0.916
  749   HG13  VAL  96          HG13      VAL  96   5.268   0.828   0.382
  750   HG21  VAL  96          HG21      VAL  96   7.615   2.570  -0.351
  751   HG22  VAL  96          HG22      VAL  96   6.999   4.179   0.022
  752   HG23  VAL  96          HG23      VAL  96   6.010   3.052  -0.906
  753    H    THR  97           H        THR  97   2.526   2.266   1.999
  754    HA   THR  97           HA       THR  97   3.017   2.168   4.890
  755    HB   THR  97           HB       THR  97   0.419   1.830   3.377
  756    HG1  THR  97           HG1      THR  97   0.074   3.973   4.461
  757   HG21  THR  97          HG21      THR  97   0.970   2.139   6.333
  758   HG22  THR  97          HG22      THR  97   0.392   0.677   5.532
  759   HG23  THR  97          HG23      THR  97  -0.628   2.115   5.588
  760    H    ARG  98           H        ARG  98   3.740   0.323   5.661
  761    HA   ARG  98           HA       ARG  98   3.419  -2.128   4.117
  762    HB2  ARG  98           HB2      ARG  98   5.055  -1.588   6.602
  763    HB3  ARG  98           HB1      ARG  98   5.108  -3.052   5.633
  764    HG2  ARG  98           HG2      ARG  98   5.998  -1.810   3.750
  765    HG3  ARG  98           HG1      ARG  98   5.877  -0.307   4.663
  766    HD2  ARG  98           HD2      ARG  98   7.560  -2.680   5.453
  767    HD3  ARG  98           HD1      ARG  98   8.165  -1.247   4.625
  768    HE   ARG  98           HE       ARG  98   6.865  -0.373   6.915
  769   HH11  ARG  98          HH11      ARG  98   9.640  -2.345   6.107
  770   HH12  ARG  98          HH12      ARG  98  10.510  -1.943   7.553
  771   HH21  ARG  98          HH21      ARG  98   8.000   0.161   8.824
  772   HH22  ARG  98          HH22      ARG  98   9.573  -0.515   9.104
  773    H    PHE  99           H        PHE  99   2.070  -3.703   4.644
  774    HA   PHE  99           HA       PHE  99   1.085  -3.897   7.399
  775    HB2  PHE  99           HB2      PHE  99  -1.195  -4.409   6.539
  776    HB3  PHE  99           HB1      PHE  99  -0.689  -2.759   6.204
  777    HD1  PHE  99           HD1      PHE  99  -1.499  -6.012   4.758
  778    HD2  PHE  99           HD2      PHE  99  -0.243  -2.029   3.935
  779    HE1  PHE  99           HE1      PHE  99  -2.035  -6.339   2.380
  780    HE2  PHE  99           HE2      PHE  99  -0.780  -2.349   1.555
  781    HZ   PHE  99           HZ       PHE  99  -1.676  -4.506   0.775
  782    H    ASP 100           H        ASP 100  -0.265  -6.103   7.496
  783    HA   ASP 100           HA       ASP 100   1.212  -8.140   5.988
  784    HB2  ASP 100           HB2      ASP 100   1.773  -9.394   7.920
  785    HB3  ASP 100           HB1      ASP 100   2.226  -7.734   8.291
  786    H    PHE 101           H        PHE 101   0.190 -10.171   5.854
  787    HA   PHE 101           HA       PHE 101  -2.583 -10.311   6.804
  788    HB2  PHE 101           HB2      PHE 101  -2.869  -9.711   4.513
  789    HB3  PHE 101           HB1      PHE 101  -1.601 -10.814   3.991
  790    HD1  PHE 101           HD1      PHE 101  -4.999 -10.708   5.474
  791    HD2  PHE 101           HD2      PHE 101  -2.119 -12.992   3.336
  792    HE1  PHE 101           HE1      PHE 101  -6.689 -12.449   5.057
  793    HE2  PHE 101           HE2      PHE 101  -3.799 -14.736   2.918
  794    HZ   PHE 101           HZ       PHE 101  -6.088 -14.466   3.778
  795    H    THR 102           H        THR 102  -3.267 -12.350   7.389
  796    HA   THR 102           HA       THR 102  -1.542 -14.640   6.830
  797    HB   THR 102           HB       THR 102  -2.507 -14.033   9.634
  798    HG1  THR 102           HG1      THR 102  -0.251 -13.249   8.251
  799   HG21  THR 102          HG21      THR 102  -0.611 -16.129   8.561
  800   HG22  THR 102          HG22      THR 102  -2.246 -16.418   9.154
  801   HG23  THR 102          HG23      THR 102  -0.988 -15.865  10.262
  802    H    THR 103           H        THR 103  -4.461 -13.590   8.556
  803    HA   THR 103           HA       THR 103  -6.166 -15.064   6.827
  804    HB   THR 103           HB       THR 103  -5.498 -16.966   8.185
  805    HG1  THR 103           HG1      THR 103  -7.830 -16.986   9.374
  806   HG21  THR 103          HG21      THR 103  -5.914 -17.052  10.594
  807   HG22  THR 103          HG22      THR 103  -6.435 -15.368  10.572
  808   HG23  THR 103          HG23      THR 103  -4.761 -15.779  10.196
  809    H    THR 104           H        THR 104  -8.129 -14.135   6.812
  810    HA   THR 104           HA       THR 104  -8.404 -11.725   8.369
  811    HB   THR 104           HB       THR 104 -10.428 -12.800   6.419
  812    HG1  THR 104           HG1      THR 104  -8.877 -11.156   5.119
  813   HG21  THR 104          HG21      THR 104 -10.787 -10.399   5.980
  814   HG22  THR 104          HG22      THR 104  -9.578 -10.010   7.203
  815   HG23  THR 104          HG23      THR 104 -11.074 -10.817   7.667
  816    H    SER 105           H        SER 105  -9.216 -14.894   8.924
  817    HA   SER 105           HA       SER 105 -11.878 -14.708   9.835
  818    HB2  SER 105           HB2      SER 105 -11.324 -16.857  11.044
  819    HB3  SER 105           HB1      SER 105 -11.005 -16.868   9.310
  820    HG   SER 105           HG       SER 105  -9.327 -17.526  11.146
  821    H    THR 106           H        THR 106  -8.772 -14.343  11.500
  822    HA   THR 106           HA       THR 106 -10.184 -13.929  14.021
  823    HB   THR 106           HB       THR 106  -7.816 -13.890  14.963
  824    HG1  THR 106           HG1      THR 106  -6.415 -13.665  13.356
  825   HG21  THR 106          HG21      THR 106  -9.290 -15.845  15.116
  826   HG22  THR 106          HG22      THR 106  -7.610 -16.327  14.878
  827   HG23  THR 106          HG23      THR 106  -8.744 -16.382  13.527
  828    H    SER 107           H        SER 107  -9.406 -12.002  11.528
  829    HA   SER 107           HA       SER 107  -8.003  -9.881  12.779
  830    HB2  SER 107           HB2      SER 107  -9.756  -9.823  10.316
  831    HB3  SER 107           HB1      SER 107  -8.594  -8.584  10.784
  832    HG   SER 107           HG       SER 107  -6.940  -9.981  10.407
  833    H    THR 108           H        THR 108 -11.392  -9.886  11.637
  834    HA   THR 108           HA       THR 108 -11.991  -7.925  13.747
  835    HB   THR 108           HB       THR 108 -13.698  -8.493  11.325
  836    HG1  THR 108           HG1      THR 108 -11.732  -7.807  10.510
  837   HG21  THR 108          HG21      THR 108 -13.462  -6.095  13.147
  838   HG22  THR 108          HG22      THR 108 -14.769  -7.279  13.162
  839   HG23  THR 108          HG23      THR 108 -14.543  -6.233  11.761
  840    HA   PRO 109           HA       PRO 109 -14.371 -11.309  15.576
  841    HB2  PRO 109           HB2      PRO 109 -15.068  -9.307  17.601
  842    HB3  PRO 109           HB1      PRO 109 -14.193 -10.827  17.788
  843    HG2  PRO 109           HG2      PRO 109 -12.974  -8.434  18.012
  844    HG3  PRO 109           HG1      PRO 109 -12.149  -9.859  17.352
  845    HD2  PRO 109           HD2      PRO 109 -13.373  -7.537  15.903
  846    HD3  PRO 109           HD1      PRO 109 -11.841  -8.382  15.592
  847    H    GLY 110           H        GLY 110 -15.759 -10.725  13.570
  848    HA2  GLY 110           HA2      GLY 110 -18.227  -9.346  14.401
  849    HA3  GLY 110           HA1      GLY 110 -17.761  -9.689  12.742
  850    H    SER 111           H        SER 111 -18.129 -11.723  11.874
  851    HA   SER 111           HA       SER 111 -20.160 -13.318  13.109
  852    HB2  SER 111           HB2      SER 111 -18.435 -13.975  10.704
  853    HB3  SER 111           HB1      SER 111 -19.964 -14.736  11.139
  854    HG   SER 111           HG       SER 111 -19.611 -12.627   9.618
  855    H    ARG 112           H        ARG 112 -16.694 -13.458  12.717
  856    HA   ARG 112           HA       ARG 112 -16.465 -16.007  14.080
  857    HB2  ARG 112           HB2      ARG 112 -14.906 -15.419  12.253
  858    HB3  ARG 112           HB1      ARG 112 -14.340 -14.043  13.188
  859    HG2  ARG 112           HG2      ARG 112 -12.734 -15.771  13.413
  860    HG3  ARG 112           HG1      ARG 112 -13.593 -15.650  14.949
  861    HD2  ARG 112           HD2      ARG 112 -15.006 -17.550  14.281
  862    HD3  ARG 112           HD1      ARG 112 -14.099 -17.679  12.777
  863    HE   ARG 112           HE       ARG 112 -12.480 -17.826  15.159
  864   HH11  ARG 112          HH11      ARG 112 -14.359 -19.621  12.815
  865   HH12  ARG 112          HH12      ARG 112 -13.569 -21.130  13.141
  866   HH21  ARG 112          HH21      ARG 112 -11.429 -19.824  15.599
  867   HH22  ARG 112          HH22      ARG 112 -11.904 -21.245  14.724
  868    H    SER 113           H        SER 113 -16.037 -16.253  16.198
  869    HA   SER 113           HA       SER 113 -15.785 -15.795  18.396
  870    HB2  SER 113           HB2      SER 113 -13.616 -14.788  17.586
  871    HB3  SER 113           HB1      SER 113 -14.430 -13.225  17.540
  872    HG   SER 113           HG       SER 113 -13.534 -13.275  19.511
  873    H    HIS 114           H        HIS 114 -18.187 -15.519  17.921
  874    HA   HIS 114           HA       HIS 114 -19.054 -12.792  18.608
  875    HB2  HIS 114           HB2      HIS 114 -21.285 -13.464  17.758
  876    HB3  HIS 114           HB1      HIS 114 -20.034 -13.577  16.527
  877    HD1  HIS 114           HD1      HIS 114 -19.608 -15.854  15.492
  878    HD2  HIS 114           HD2      HIS 114 -22.280 -15.977  18.678
  879    HE1  HIS 114           HE1      HIS 114 -20.577 -18.171  15.475
  880    HE2  HIS 114           HE2      HIS 114 -22.071 -18.270  17.498
  881    H    HIS 115           H        HIS 115 -18.210 -15.420  20.156
  882    HA   HIS 115           HA       HIS 115 -20.498 -15.743  21.904
  883    HB2  HIS 115           HB2      HIS 115 -18.982 -17.655  21.271
  884    HB3  HIS 115           HB1      HIS 115 -17.715 -16.893  22.222
  885    HD1  HIS 115           HD1      HIS 115 -17.649 -17.473  24.654
  886    HD2  HIS 115           HD2      HIS 115 -21.281 -18.462  22.898
  887    HE1  HIS 115           HE1      HIS 115 -18.924 -18.741  26.410
  888    HE2  HIS 115           HE2      HIS 115 -21.172 -19.208  25.368
  889    H    HIS 116           H        HIS 116 -20.151 -13.242  22.140
  890    HA   HIS 116           HA       HIS 116 -18.420 -12.788  24.482
  891    HB2  HIS 116           HB2      HIS 116 -17.794 -11.523  22.416
  892    HB3  HIS 116           HB1      HIS 116 -19.361 -10.726  22.477
  893    HD1  HIS 116           HD1      HIS 116 -19.075  -8.429  23.328
  894    HD2  HIS 116           HD2      HIS 116 -16.546 -11.114  25.246
  895    HE1  HIS 116           HE1      HIS 116 -17.808  -7.074  25.025
  896    HE2  HIS 116           HE2      HIS 116 -16.423  -8.754  26.291
  897    H    HIS 117           H        HIS 117 -21.610 -12.901  23.348
  898    HA   HIS 117           HA       HIS 117 -22.645 -11.033  25.305
  899    HB2  HIS 117           HB2      HIS 117 -24.869 -11.610  24.404
  900    HB3  HIS 117           HB1      HIS 117 -23.759 -11.090  23.147
  901    HD1  HIS 117           HD1      HIS 117 -25.842 -13.945  24.240
  902    HD2  HIS 117           HD2      HIS 117 -22.948 -13.167  21.362
  903    HE1  HIS 117           HE1      HIS 117 -25.995 -15.841  22.597
  904    HE2  HIS 117           HE2      HIS 117 -24.352 -15.255  20.782
  905    H    HIS 118           H        HIS 118 -23.309 -11.521  27.270
  906    HA   HIS 118           HA       HIS 118 -23.404 -14.360  28.022
  907    HB2  HIS 118           HB2      HIS 118 -23.005 -11.878  29.704
  908    HB3  HIS 118           HB1      HIS 118 -23.195 -13.493  30.372
  909    HD1  HIS 118           HD1      HIS 118 -21.110 -14.839  30.629
  910    HD2  HIS 118           HD2      HIS 118 -20.599 -11.612  28.061
  911    HE1  HIS 118           HE1      HIS 118 -18.651 -14.770  30.113
  912    HE2  HIS 118           HE2      HIS 118 -18.377 -12.862  28.489
  913    H    HIS 119           H        HIS 119 -25.036 -14.980  29.639
  914    HA   HIS 119           HA       HIS 119 -27.511 -13.423  29.322
  915    HB2  HIS 119           HB2      HIS 119 -28.760 -15.566  29.520
  916    HB3  HIS 119           HB1      HIS 119 -27.753 -15.483  28.084
  917    HD1  HIS 119           HD1      HIS 119 -25.832 -17.162  27.888
  918    HD2  HIS 119           HD2      HIS 119 -27.951 -17.477  31.446
  919    HE1  HIS 119           HE1      HIS 119 -25.098 -19.330  28.917
  920    HE2  HIS 119           HE2      HIS 119 -26.269 -19.419  31.144
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   9.292  16.415  11.149
    2    H2   GLY   1           HT2      GLY   1   7.731  17.038  11.338
    3    H3   GLY   1           HT3      GLY   1   9.003  17.653  12.264
    4    HA2  GLY   1           HA1      GLY   1  10.066  18.537  10.305
    5    HA3  GLY   1           HA2      GLY   1   8.775  17.872   9.318
    6    H    SER   2           H        SER   2   9.273  20.507   9.092
    7    HA   SER   2           HA       SER   2   7.771  22.095  10.934
    8    HB2  SER   2           HB2      SER   2   8.641  22.873   8.148
    9    HB3  SER   2           HB1      SER   2   8.321  23.940   9.515
   10    HG   SER   2           HG       SER   2  10.556  22.404   8.935
   11    H    GLN   3           H        GLN   3   7.124  20.496   7.895
   12    HA   GLN   3           HA       GLN   3   4.640  21.820   7.406
   13    HB2  GLN   3           HB2      GLN   3   5.738  19.222   6.317
   14    HB3  GLN   3           HB1      GLN   3   4.277  20.010   5.741
   15    HG2  GLN   3           HG2      GLN   3   7.075  21.107   5.609
   16    HG3  GLN   3           HG1      GLN   3   6.121  20.485   4.263
   17   HE21  GLN   3          HE21      GLN   3   4.398  21.707   3.473
   18   HE22  GLN   3          HE22      GLN   3   4.232  23.390   3.836
   19    H    THR   4           H        THR   4   2.566  21.069   7.755
   20    HA   THR   4           HA       THR   4   2.211  18.687   9.389
   21    HB   THR   4           HB       THR   4   2.579  20.508  11.012
   22    HG1  THR   4           HG1      THR   4   0.170  20.347  11.831
   23   HG21  THR   4          HG21      THR   4   1.827  22.397   9.671
   24   HG22  THR   4          HG22      THR   4   0.950  22.340  11.200
   25   HG23  THR   4          HG23      THR   4   0.172  21.790   9.716
   26    H    THR   5           H        THR   5  -0.201  18.387   9.808
   27    HA   THR   5           HA       THR   5  -2.270  17.953   9.043
   28    HB   THR   5           HB       THR   5  -3.569  19.738   8.003
   29    HG1  THR   5           HG1      THR   5  -1.099  20.624   7.241
   30   HG21  THR   5          HG21      THR   5  -3.272  21.458   9.737
   31   HG22  THR   5          HG22      THR   5  -1.731  20.727  10.183
   32   HG23  THR   5          HG23      THR   5  -3.230  19.828  10.406
   33    H    ALA   6           H        ALA   6  -3.717  18.003   6.955
   34    HA   ALA   6           HA       ALA   6  -4.113  17.052   4.941
   35    HB1  ALA   6           HB1      ALA   6  -3.098  19.126   4.135
   36    HB2  ALA   6           HB2      ALA   6  -2.745  17.771   3.062
   37    HB3  ALA   6           HB3      ALA   6  -1.509  18.362   4.172
   38    HA   PRO   7           HA       PRO   7  -1.449  13.406   5.878
   39    HB2  PRO   7           HB2      PRO   7  -3.966  11.967   5.406
   40    HB3  PRO   7           HB1      PRO   7  -2.896  11.920   6.809
   41    HG2  PRO   7           HG2      PRO   7  -5.313  13.100   6.900
   42    HG3  PRO   7           HG1      PRO   7  -3.930  13.710   7.824
   43    HD2  PRO   7           HD2      PRO   7  -5.088  14.724   5.257
   44    HD3  PRO   7           HD1      PRO   7  -4.481  15.634   6.656
   45    H    ASP   8           H        ASP   8  -0.400  13.736   3.857
   46    HA   ASP   8           HA       ASP   8  -1.676  12.958   1.405
   47    HB2  ASP   8           HB2      ASP   8   0.504  13.332   0.367
   48    HB3  ASP   8           HB1      ASP   8   0.097  14.672   1.432
   49    H    ALA   9           H        ALA   9   0.119  11.405   3.885
   50    HA   ALA   9           HA       ALA   9   0.523   9.004   2.284
   51    HB1  ALA   9           HB1      ALA   9   1.264   9.559   5.152
   52    HB2  ALA   9           HB2      ALA   9   2.334   9.722   3.759
   53    HB3  ALA   9           HB3      ALA   9   1.714   8.136   4.213
   54    HA   PRO  10           HA       PRO  10  -3.490   7.454   3.613
   55    HB2  PRO  10           HB2      PRO  10  -2.295   4.955   2.544
   56    HB3  PRO  10           HB1      PRO  10  -3.843   5.713   2.160
   57    HG2  PRO  10           HG2      PRO  10  -1.811   5.812   0.441
   58    HG3  PRO  10           HG1      PRO  10  -2.894   7.200   0.660
   59    HD2  PRO  10           HD2      PRO  10  -0.125   6.785   1.696
   60    HD3  PRO  10           HD1      PRO  10  -0.883   8.248   1.092
   61    HA   PRO  11           HA       PRO  11  -2.121   5.637   7.502
   62    HB2  PRO  11           HB2      PRO  11  -5.005   5.083   7.808
   63    HB3  PRO  11           HB1      PRO  11  -3.920   5.995   8.860
   64    HG2  PRO  11           HG2      PRO  11  -5.760   7.230   7.364
   65    HG3  PRO  11           HG1      PRO  11  -4.160   7.946   7.636
   66    HD2  PRO  11           HD2      PRO  11  -5.200   6.485   5.236
   67    HD3  PRO  11           HD1      PRO  11  -4.197   7.949   5.317
   68    H    ASP  12           H        ASP  12  -3.093   3.563   8.736
   69    HA   ASP  12           HA       ASP  12  -2.130   1.365   7.339
   70    HB2  ASP  12           HB2      ASP  12  -3.995   1.428   9.715
   71    HB3  ASP  12           HB1      ASP  12  -3.187  -0.020   9.126
   72    HA   PRO  13           HA       PRO  13  -5.677   0.358   4.764
   73    HB2  PRO  13           HB2      PRO  13  -4.001  -1.947   4.035
   74    HB3  PRO  13           HB1      PRO  13  -4.674  -0.683   3.002
   75    HG2  PRO  13           HG2      PRO  13  -2.045  -0.818   3.543
   76    HG3  PRO  13           HG1      PRO  13  -2.883   0.733   3.342
   77    HD2  PRO  13           HD2      PRO  13  -2.055  -0.662   5.863
   78    HD3  PRO  13           HD1      PRO  13  -1.961   1.062   5.443
   79    H    THR  14           H        THR  14  -7.316  -1.073   5.045
   80    HA   THR  14           HA       THR  14  -6.972  -3.080   7.174
   81    HB   THR  14           HB       THR  14  -9.573  -1.934   6.149
   82    HG1  THR  14           HG1      THR  14  -7.675  -0.883   7.882
   83   HG21  THR  14          HG21      THR  14  -9.764  -4.052   7.365
   84   HG22  THR  14          HG22      THR  14 -10.454  -2.724   8.299
   85   HG23  THR  14          HG23      THR  14  -8.866  -3.363   8.717
   86    H    VAL  15           H        VAL  15  -7.362  -5.199   6.742
   87    HA   VAL  15           HA       VAL  15  -8.128  -5.833   3.978
   88    HB   VAL  15           HB       VAL  15  -6.400  -7.344   5.935
   89   HG11  VAL  15          HG11      VAL  15  -7.558  -8.276   3.315
   90   HG12  VAL  15          HG12      VAL  15  -7.787  -9.000   4.906
   91   HG13  VAL  15          HG13      VAL  15  -6.205  -9.060   4.126
   92   HG21  VAL  15          HG21      VAL  15  -4.706  -7.137   4.206
   93   HG22  VAL  15          HG22      VAL  15  -5.331  -5.544   4.636
   94   HG23  VAL  15          HG23      VAL  15  -5.858  -6.327   3.145
   95    H    ASP  16           H        ASP  16 -10.124  -6.539   3.751
   96    HA   ASP  16           HA       ASP  16 -11.303  -8.176   5.897
   97    HB2  ASP  16           HB2      ASP  16 -12.618  -6.184   5.385
   98    HB3  ASP  16           HB1      ASP  16 -12.655  -6.620   3.679
   99    H    GLN  17           H        GLN  17 -11.723 -10.269   5.513
  100    HA   GLN  17           HA       GLN  17 -10.919 -11.329   2.931
  101    HB2  GLN  17           HB2      GLN  17 -11.786 -12.829   5.402
  102    HB3  GLN  17           HB1      GLN  17 -11.064 -13.526   3.983
  103    HG2  GLN  17           HG2      GLN  17  -9.265 -13.454   5.382
  104    HG3  GLN  17           HG1      GLN  17  -9.086 -11.913   4.546
  105   HE21  GLN  17          HE21      GLN  17  -9.408 -10.011   5.675
  106   HE22  GLN  17          HE22      GLN  17  -9.590  -9.957   7.394
  107    H    VAL  18           H        VAL  18 -12.394 -11.391   1.381
  108    HA   VAL  18           HA       VAL  18 -15.198 -11.828   2.068
  109    HB   VAL  18           HB       VAL  18 -15.637 -11.352  -0.343
  110   HG11  VAL  18          HG11      VAL  18 -15.162  -8.951  -0.193
  111   HG12  VAL  18          HG12      VAL  18 -14.069  -9.258   1.156
  112   HG13  VAL  18          HG13      VAL  18 -15.792  -9.591   1.324
  113   HG21  VAL  18          HG21      VAL  18 -13.479 -12.055  -1.252
  114   HG22  VAL  18          HG22      VAL  18 -12.685 -10.720  -0.419
  115   HG23  VAL  18          HG23      VAL  18 -13.844 -10.391  -1.706
  116    H    ASP  19           H        ASP  19 -12.473 -13.434   0.747
  117    HA   ASP  19           HA       ASP  19 -14.060 -15.879   0.502
  118    HB2  ASP  19           HB2      ASP  19 -12.128 -14.817  -1.562
  119    HB3  ASP  19           HB1      ASP  19 -12.596 -16.508  -1.487
  120    H    ASP  20           H        ASP  20 -12.219 -17.730   0.032
  121    HA   ASP  20           HA       ASP  20 -10.459 -17.580   2.316
  122    HB2  ASP  20           HB2      ASP  20 -10.715 -19.705   0.170
  123    HB3  ASP  20           HB1      ASP  20  -9.718 -19.847   1.612
  124    H    THR  21           H        THR  21 -10.225 -17.488  -1.178
  125    HA   THR  21           HA       THR  21  -7.330 -17.066  -0.970
  126    HB   THR  21           HB       THR  21  -7.378 -17.592  -3.462
  127    HG1  THR  21           HG1      THR  21  -9.232 -18.121  -4.340
  128   HG21  THR  21          HG21      THR  21  -8.205 -19.719  -1.485
  129   HG22  THR  21          HG22      THR  21  -6.558 -19.195  -1.841
  130   HG23  THR  21          HG23      THR  21  -7.506 -20.026  -3.073
  131    H    SER  22           H        SER  22  -9.766 -15.088  -0.869
  132    HA   SER  22           HA       SER  22  -8.422 -13.076  -2.484
  133    HB2  SER  22           HB2      SER  22 -11.384 -13.580  -2.825
  134    HB3  SER  22           HB1      SER  22 -10.417 -12.365  -3.654
  135    HG   SER  22           HG       SER  22  -9.325 -14.806  -3.967
  136    H    ILE  23           H        ILE  23  -8.459 -11.112  -1.592
  137    HA   ILE  23           HA       ILE  23 -10.236 -10.666   0.727
  138    HB   ILE  23           HB       ILE  23  -8.482  -9.390   1.804
  139   HG12  ILE  23          HG12      ILE  23  -6.567 -10.198  -0.374
  140   HG13  ILE  23          HG11      ILE  23  -7.496  -8.709  -0.494
  141   HG21  ILE  23          HG21      ILE  23  -8.528 -11.780   2.246
  142   HG22  ILE  23          HG22      ILE  23  -6.870 -11.178   2.271
  143   HG23  ILE  23          HG23      ILE  23  -7.464 -12.068   0.870
  144   HD11  ILE  23          HD11      ILE  23  -5.359  -8.162   0.363
  145   HD12  ILE  23          HD12      ILE  23  -5.452  -9.431   1.585
  146   HD13  ILE  23          HD13      ILE  23  -6.505  -8.021   1.694
  147    H    VAL  24           H        VAL  24 -10.673  -8.390   1.169
  148    HA   VAL  24           HA       VAL  24 -10.191  -6.633  -1.145
  149    HB   VAL  24           HB       VAL  24 -12.334  -6.349   0.980
  150   HG11  VAL  24          HG11      VAL  24 -13.174  -4.514  -0.404
  151   HG12  VAL  24          HG12      VAL  24 -11.817  -4.721  -1.511
  152   HG13  VAL  24          HG13      VAL  24 -11.530  -4.192   0.147
  153   HG21  VAL  24          HG21      VAL  24 -12.815  -8.187  -0.546
  154   HG22  VAL  24          HG22      VAL  24 -12.561  -7.123  -1.929
  155   HG23  VAL  24          HG23      VAL  24 -13.912  -6.838  -0.833
  156    H    VAL  25           H        VAL  25  -8.378  -5.590  -0.727
  157    HA   VAL  25           HA       VAL  25  -7.767  -4.725   1.989
  158    HB   VAL  25           HB       VAL  25  -5.897  -5.749   0.937
  159   HG11  VAL  25          HG11      VAL  25  -6.515  -5.747  -1.341
  160   HG12  VAL  25          HG12      VAL  25  -4.969  -4.909  -1.221
  161   HG13  VAL  25          HG13      VAL  25  -6.457  -3.986  -1.426
  162   HG21  VAL  25          HG21      VAL  25  -5.523  -2.766   0.773
  163   HG22  VAL  25          HG22      VAL  25  -4.224  -3.962   0.774
  164   HG23  VAL  25          HG23      VAL  25  -5.266  -3.787   2.190
  165    H    ARG  26           H        ARG  26  -8.382  -2.802   2.648
  166    HA   ARG  26           HA       ARG  26  -9.043  -0.773   0.611
  167    HB2  ARG  26           HB2      ARG  26 -10.295  -1.150   3.337
  168    HB3  ARG  26           HB1      ARG  26 -10.775   0.029   2.125
  169    HG2  ARG  26           HG2      ARG  26 -11.423  -1.810   0.625
  170    HG3  ARG  26           HG1      ARG  26 -10.996  -2.965   1.889
  171    HD2  ARG  26           HD2      ARG  26 -13.397  -2.541   1.856
  172    HD3  ARG  26           HD1      ARG  26 -12.672  -1.980   3.362
  173    HE   ARG  26           HE       ARG  26 -13.011  -0.011   1.239
  174   HH11  ARG  26          HH11      ARG  26 -14.243  -1.388   4.207
  175   HH12  ARG  26          HH12      ARG  26 -15.166   0.018   4.625
  176   HH21  ARG  26          HH21      ARG  26 -14.239   1.825   1.763
  177   HH22  ARG  26          HH22      ARG  26 -15.161   1.856   3.232
  178    H    TRP  27           H        TRP  27  -8.348   1.281   0.886
  179    HA   TRP  27           HA       TRP  27  -6.961   1.959   3.378
  180    HB2  TRP  27           HB2      TRP  27  -5.261   3.201   1.946
  181    HB3  TRP  27           HB1      TRP  27  -5.142   1.446   1.935
  182    HD1  TRP  27           HD1      TRP  27  -6.186   4.383  -0.307
  183    HE1  TRP  27           HE1      TRP  27  -6.203   3.577  -2.749
  184    HE3  TRP  27           HE3      TRP  27  -5.347  -0.598   0.473
  185    HZ2  TRP  27           HZ2      TRP  27  -5.893   1.157  -4.161
  186    HZ3  TRP  27           HZ3      TRP  27  -5.218  -2.090  -1.480
  187    HH2  TRP  27           HH2      TRP  27  -5.486  -1.228  -3.747
  188    H    SER  28           H        SER  28  -7.362   3.993   4.100
  189    HA   SER  28           HA       SER  28  -9.538   5.383   2.871
  190    HB2  SER  28           HB2      SER  28  -9.186   6.986   4.789
  191    HB3  SER  28           HB1      SER  28  -9.466   5.312   5.267
  192    HG   SER  28           HG       SER  28  -6.881   6.418   4.940
  193    H    ARG  29           H        ARG  29  -9.244   6.610   1.148
  194    HA   ARG  29           HA       ARG  29  -6.728   7.936   0.669
  195    HB2  ARG  29           HB2      ARG  29  -7.472   7.174  -1.316
  196    HB3  ARG  29           HB1      ARG  29  -9.170   7.352  -0.906
  197    HG2  ARG  29           HG2      ARG  29  -8.749   8.836  -2.685
  198    HG3  ARG  29           HG1      ARG  29  -8.834   9.842  -1.239
  199    HD2  ARG  29           HD2      ARG  29  -6.586  10.308  -1.268
  200    HD3  ARG  29           HD1      ARG  29  -6.177   8.817  -2.115
  201    HE   ARG  29           HE       ARG  29  -7.035   9.851  -4.148
  202   HH11  ARG  29          HH11      ARG  29  -6.399  12.012  -1.457
  203   HH12  ARG  29          HH12      ARG  29  -6.131  13.394  -2.473
  204   HH21  ARG  29          HH21      ARG  29  -6.681  11.673  -5.473
  205   HH22  ARG  29          HH22      ARG  29  -6.326  13.211  -4.747
  206    HA   PRO  30           HA       PRO  30  -7.733  11.605   2.870
  207    HB2  PRO  30           HB2      PRO  30  -5.922  13.189   1.494
  208    HB3  PRO  30           HB1      PRO  30  -5.538  12.187   2.895
  209    HG2  PRO  30           HG2      PRO  30  -5.157  11.609  -0.013
  210    HG3  PRO  30           HG1      PRO  30  -4.091  11.235   1.355
  211    HD2  PRO  30           HD2      PRO  30  -5.624   9.342   0.234
  212    HD3  PRO  30           HD1      PRO  30  -5.355   9.391   1.990
  213    H1   MET  31           HT1      MET  31  -3.284  32.477  -6.522
  214    H2   MET  31           HT2      MET  31  -4.017  30.973  -6.728
  215    H3   MET  31           HT3      MET  31  -2.952  31.560  -7.903
  216    HA   MET  31           HA       MET  31  -1.872  29.880  -6.600
  217    HB2  MET  31           HB2      MET  31  -0.472  31.686  -7.408
  218    HB3  MET  31           HB1      MET  31  -0.905  32.688  -6.034
  219    HG2  MET  31           HG2      MET  31   1.332  31.731  -5.816
  220    HG3  MET  31           HG1      MET  31   0.251  31.192  -4.531
  221    HE1  MET  31           HE1      MET  31   2.029  30.234  -7.886
  222    HE2  MET  31           HE2      MET  31   0.342  29.900  -8.272
  223    HE3  MET  31           HE3      MET  31   1.492  28.572  -8.125
  224    H    ARG  32           H        ARG  32  -2.317  32.696  -4.438
  225    HA   ARG  32           HA       ARG  32  -2.825  30.774  -2.265
  226    HB2  ARG  32           HB2      ARG  32  -0.561  31.934  -2.212
  227    HB3  ARG  32           HB1      ARG  32  -1.427  33.436  -1.947
  228    HG2  ARG  32           HG2      ARG  32  -1.758  31.078  -0.123
  229    HG3  ARG  32           HG1      ARG  32  -0.458  32.251   0.085
  230    HD2  ARG  32           HD2      ARG  32  -2.091  34.040   0.305
  231    HD3  ARG  32           HD1      ARG  32  -3.403  32.893   0.043
  232    HE   ARG  32           HE       ARG  32  -1.700  32.207   2.254
  233   HH11  ARG  32          HH11      ARG  32  -4.463  34.104   1.251
  234   HH12  ARG  32          HH12      ARG  32  -5.152  34.179   2.842
  235   HH21  ARG  32          HH21      ARG  32  -2.592  32.329   4.365
  236   HH22  ARG  32          HH22      ARG  32  -4.089  33.176   4.607
  237    H    GLY  33           H        GLY  33  -4.909  30.914  -1.798
  238    HA2  GLY  33           HA2      GLY  33  -6.034  33.400  -0.903
  239    HA3  GLY  33           HA1      GLY  33  -6.727  32.850  -2.423
  240    H    SER  34           H        SER  34  -8.492  31.647  -2.240
  241    HA   SER  34           HA       SER  34  -9.239  30.496   0.291
  242    HB2  SER  34           HB2      SER  34 -11.253  29.725  -1.030
  243    HB3  SER  34           HB1      SER  34 -10.994  31.469  -1.034
  244    HG   SER  34           HG       SER  34 -11.125  31.205  -3.122
  245    H    ASN  35           H        ASN  35  -7.902  29.467  -2.739
  246    HA   ASN  35           HA       ASN  35  -8.197  26.653  -2.195
  247    HB2  ASN  35           HB2      ASN  35  -8.235  27.403  -4.508
  248    HB3  ASN  35           HB1      ASN  35  -6.649  28.144  -4.328
  249   HD21  ASN  35          HD21      ASN  35  -4.828  26.870  -4.374
  250   HD22  ASN  35          HD22      ASN  35  -4.860  25.209  -4.854
  251    H    ALA  36           H        ALA  36  -7.078  25.910  -0.520
  252    HA   ALA  36           HA       ALA  36  -4.255  26.662  -0.236
  253    HB1  ALA  36           HB1      ALA  36  -6.068  25.196   1.684
  254    HB2  ALA  36           HB2      ALA  36  -5.638  26.904   1.769
  255    HB3  ALA  36           HB3      ALA  36  -4.398  25.671   1.995
  256    HA   PRO  37           HA       PRO  37  -3.738  22.846  -2.599
  257    HB2  PRO  37           HB2      PRO  37  -0.886  23.548  -2.222
  258    HB3  PRO  37           HB1      PRO  37  -1.775  23.202  -3.709
  259    HG2  PRO  37           HG2      PRO  37  -1.046  25.690  -3.091
  260    HG3  PRO  37           HG1      PRO  37  -2.603  25.356  -3.871
  261    HD2  PRO  37           HD2      PRO  37  -2.012  25.988  -1.007
  262    HD3  PRO  37           HD1      PRO  37  -3.365  26.523  -2.026
  263    H    GLN  38           H        GLN  38  -4.007  21.024  -1.516
  264    HA   GLN  38           HA       GLN  38  -2.239  20.417   0.743
  265    HB2  GLN  38           HB2      GLN  38  -3.802  18.566   1.220
  266    HB3  GLN  38           HB1      GLN  38  -4.623  20.120   1.192
  267    HG2  GLN  38           HG2      GLN  38  -5.505  19.657  -1.007
  268    HG3  GLN  38           HG1      GLN  38  -4.599  18.146  -1.083
  269   HE21  GLN  38          HE21      GLN  38  -7.319  19.794   0.301
  270   HE22  GLN  38          HE22      GLN  38  -8.100  18.392   0.943
  271    HA   PRO  39           HA       PRO  39   0.195  17.910  -1.960
  272    HB2  PRO  39           HB2      PRO  39   1.406  16.327  -0.096
  273    HB3  PRO  39           HB1      PRO  39   1.874  18.004  -0.403
  274    HG2  PRO  39           HG2      PRO  39   0.131  16.886   1.756
  275    HG3  PRO  39           HG1      PRO  39   1.385  18.135   1.864
  276    HD2  PRO  39           HD2      PRO  39  -1.245  18.734   1.783
  277    HD3  PRO  39           HD1      PRO  39  -0.013  19.785   1.056
  278    H    SER  40           H        SER  40  -2.316  16.738  -0.026
  279    HA   SER  40           HA       SER  40  -2.019  13.940  -0.484
  280    HB2  SER  40           HB2      SER  40  -4.559  15.366   0.300
  281    HB3  SER  40           HB1      SER  40  -4.066  13.720   0.696
  282    HG   SER  40           HG       SER  40  -2.462  14.564   2.041
  283    H    HIS  41           H        HIS  41  -1.722  14.304  -2.900
  284    HA   HIS  41           HA       HIS  41  -4.340  13.876  -4.175
  285    HB2  HIS  41           HB2      HIS  41  -2.116  15.652  -5.169
  286    HB3  HIS  41           HB1      HIS  41  -3.302  14.963  -6.268
  287    HD1  HIS  41           HD1      HIS  41  -5.641  16.002  -6.284
  288    HD2  HIS  41           HD2      HIS  41  -3.118  17.632  -3.416
  289    HE1  HIS  41           HE1      HIS  41  -6.815  18.057  -5.443
  290    HE2  HIS  41           HE2      HIS  41  -5.188  19.119  -3.842
  291    H    ILE  42           H        ILE  42  -3.952  11.657  -4.018
  292    HA   ILE  42           HA       ILE  42  -1.571  10.463  -5.077
  293    HB   ILE  42           HB       ILE  42  -4.191   9.224  -4.209
  294   HG12  ILE  42          HG12      ILE  42  -2.704   8.298  -2.360
  295   HG13  ILE  42          HG11      ILE  42  -1.477   9.435  -2.895
  296   HG21  ILE  42          HG21      ILE  42  -3.040   7.064  -4.322
  297   HG22  ILE  42          HG22      ILE  42  -1.632   7.859  -5.027
  298   HG23  ILE  42          HG23      ILE  42  -3.161   7.831  -5.906
  299   HD11  ILE  42          HD11      ILE  42  -2.976  11.291  -2.381
  300   HD12  ILE  42          HD12      ILE  42  -2.687  10.272  -0.970
  301   HD13  ILE  42          HD13      ILE  42  -4.208  10.144  -1.852
  302    H    SER  43           H        SER  43  -1.214   9.651  -7.067
  303    HA   SER  43           HA       SER  43  -3.308   9.997  -9.078
  304    HB2  SER  43           HB2      SER  43  -0.356   9.405  -9.413
  305    HB3  SER  43           HB1      SER  43  -1.490   9.780 -10.711
  306    HG   SER  43           HG       SER  43  -1.812  11.829  -9.705
  307    H    LYS  44           H        LYS  44  -1.277   7.534  -7.591
  308    HA   LYS  44           HA       LYS  44  -3.096   5.468  -8.369
  309    HB2  LYS  44           HB2      LYS  44  -1.501   4.113  -9.656
  310    HB3  LYS  44           HB1      LYS  44  -1.837   5.641 -10.455
  311    HG2  LYS  44           HG2      LYS  44   0.291   6.517  -9.442
  312    HG3  LYS  44           HG1      LYS  44   0.641   4.858  -8.939
  313    HD2  LYS  44           HD2      LYS  44   0.603   4.118 -11.239
  314    HD3  LYS  44           HD1      LYS  44   0.124   5.728 -11.783
  315    HE2  LYS  44           HE2      LYS  44   2.248   6.619 -10.881
  316    HE3  LYS  44           HE1      LYS  44   2.726   4.976 -10.454
  317    HZ1  LYS  44           HZ1      LYS  44   2.131   5.924 -13.203
  318    HZ2  LYS  44           HZ2      LYS  44   2.651   4.373 -12.776
  319    HZ3  LYS  44           HZ3      LYS  44   3.679   5.697 -12.563
  320    H    TYR  45           H        TYR  45  -2.720   3.506  -7.293
  321    HA   TYR  45           HA       TYR  45  -0.734   3.662  -5.114
  322    HB2  TYR  45           HB2      TYR  45  -3.178   1.886  -5.163
  323    HB3  TYR  45           HB1      TYR  45  -2.157   2.278  -3.788
  324    HD1  TYR  45           HD1      TYR  45  -4.895   3.380  -5.912
  325    HD2  TYR  45           HD2      TYR  45  -2.390   4.430  -2.642
  326    HE1  TYR  45           HE1      TYR  45  -6.457   5.168  -5.303
  327    HE2  TYR  45           HE2      TYR  45  -3.949   6.232  -2.023
  328    HH   TYR  45           HH       TYR  45  -7.080   6.501  -3.451
  329    H    ILE  46           H        ILE  46   0.784   2.096  -5.021
  330    HA   ILE  46           HA       ILE  46   0.492  -0.163  -6.882
  331    HB   ILE  46           HB       ILE  46   2.972   1.128  -5.748
  332   HG12  ILE  46          HG12      ILE  46   3.570   1.185  -8.223
  333   HG13  ILE  46          HG11      ILE  46   1.907   0.711  -8.542
  334   HG21  ILE  46          HG21      ILE  46   2.767  -1.484  -7.234
  335   HG22  ILE  46          HG22      ILE  46   3.324  -1.246  -5.575
  336   HG23  ILE  46          HG23      ILE  46   4.272  -0.616  -6.922
  337   HD11  ILE  46          HD11      ILE  46   1.135   2.757  -7.421
  338   HD12  ILE  46          HD12      ILE  46   2.168   3.093  -8.810
  339   HD13  ILE  46          HD13      ILE  46   2.815   3.232  -7.174
  340    H    LEU  47           H        LEU  47  -0.268  -1.877  -5.930
  341    HA   LEU  47           HA       LEU  47   0.234  -2.352  -3.083
  342    HB2  LEU  47           HB2      LEU  47  -2.089  -2.413  -4.319
  343    HB3  LEU  47           HB1      LEU  47  -1.566  -3.989  -4.863
  344    HG   LEU  47           HG       LEU  47  -3.052  -4.240  -2.986
  345   HD11  LEU  47          HD11      LEU  47  -1.332  -5.883  -3.067
  346   HD12  LEU  47          HD12      LEU  47  -1.627  -5.456  -1.383
  347   HD13  LEU  47          HD13      LEU  47  -0.206  -4.825  -2.218
  348   HD21  LEU  47          HD21      LEU  47  -2.534  -3.337  -0.776
  349   HD22  LEU  47          HD22      LEU  47  -2.783  -2.063  -1.971
  350   HD23  LEU  47          HD23      LEU  47  -1.149  -2.479  -1.453
  351    H    ARG  48           H        ARG  48   1.923  -3.610  -2.620
  352    HA   ARG  48           HA       ARG  48   2.517  -5.853  -4.439
  353    HB2  ARG  48           HB2      ARG  48   4.525  -4.242  -2.850
  354    HB3  ARG  48           HB1      ARG  48   4.891  -5.614  -3.885
  355    HG2  ARG  48           HG2      ARG  48   4.006  -4.330  -5.813
  356    HG3  ARG  48           HG1      ARG  48   3.810  -2.943  -4.744
  357    HD2  ARG  48           HD2      ARG  48   6.392  -4.340  -5.425
  358    HD3  ARG  48           HD1      ARG  48   5.873  -2.749  -5.983
  359    HE   ARG  48           HE       ARG  48   5.883  -2.749  -3.190
  360   HH11  ARG  48          HH11      ARG  48   8.116  -2.906  -5.869
  361   HH12  ARG  48          HH12      ARG  48   9.412  -2.136  -5.010
  362   HH21  ARG  48          HH21      ARG  48   7.605  -1.723  -2.039
  363   HH22  ARG  48          HH22      ARG  48   9.114  -1.449  -2.841
  364    H    TRP  49           H        TRP  49   2.448  -7.793  -3.532
  365    HA   TRP  49           HA       TRP  49   2.711  -7.963  -0.612
  366    HB2  TRP  49           HB2      TRP  49   0.915  -9.617  -0.528
  367    HB3  TRP  49           HB1      TRP  49   0.334  -8.094  -1.185
  368    HD1  TRP  49           HD1      TRP  49   0.581 -11.755  -1.963
  369    HE1  TRP  49           HE1      TRP  49  -0.486 -12.229  -4.262
  370    HE3  TRP  49           HE3      TRP  49   0.080  -6.954  -3.633
  371    HZ2  TRP  49           HZ2      TRP  49  -1.412 -10.759  -6.481
  372    HZ3  TRP  49           HZ3      TRP  49  -0.911  -6.571  -5.850
  373    HH2  TRP  49           HH2      TRP  49  -1.640  -8.434  -7.246
  374    H    ARG  50           H        ARG  50   3.736  -9.723   0.202
  375    HA   ARG  50           HA       ARG  50   4.720 -11.736  -1.699
  376    HB2  ARG  50           HB2      ARG  50   6.501 -10.049  -1.266
  377    HB3  ARG  50           HB1      ARG  50   6.401 -10.430   0.449
  378    HG2  ARG  50           HG2      ARG  50   6.981 -12.800  -0.142
  379    HG3  ARG  50           HG1      ARG  50   7.303 -12.233  -1.780
  380    HD2  ARG  50           HD2      ARG  50   9.376 -12.341  -0.570
  381    HD3  ARG  50           HD1      ARG  50   8.969 -10.650  -0.856
  382    HE   ARG  50           HE       ARG  50   8.217 -10.557   1.480
  383   HH11  ARG  50          HH11      ARG  50  10.326 -13.193   0.552
  384   HH12  ARG  50          HH12      ARG  50  10.943 -13.432   2.151
  385   HH21  ARG  50          HH21      ARG  50   9.019 -10.864   3.583
  386   HH22  ARG  50          HH22      ARG  50  10.214 -12.099   3.876
  387    HA   PRO  51           HA       PRO  51   3.272 -14.434   1.593
  388    HB2  PRO  51           HB2      PRO  51   4.739 -16.529   0.156
  389    HB3  PRO  51           HB1      PRO  51   3.009 -16.404   0.482
  390    HG2  PRO  51           HG2      PRO  51   4.052 -16.091  -1.993
  391    HG3  PRO  51           HG1      PRO  51   2.595 -15.239  -1.455
  392    HD2  PRO  51           HD2      PRO  51   5.395 -14.231  -1.716
  393    HD3  PRO  51           HD1      PRO  51   3.859 -13.410  -2.062
  394    H    LYS  52           H        LYS  52   4.246 -14.770   3.489
  395    HA   LYS  52           HA       LYS  52   6.995 -14.292   3.908
  396    HB2  LYS  52           HB2      LYS  52   4.827 -15.483   5.617
  397    HB3  LYS  52           HB1      LYS  52   6.478 -15.339   6.200
  398    HG2  LYS  52           HG2      LYS  52   4.803 -13.037   5.220
  399    HG3  LYS  52           HG1      LYS  52   4.994 -13.490   6.914
  400    HD2  LYS  52           HD2      LYS  52   7.288 -12.771   5.092
  401    HD3  LYS  52           HD1      LYS  52   6.480 -11.624   6.157
  402    HE2  LYS  52           HE2      LYS  52   7.833 -14.156   7.080
  403    HE3  LYS  52           HE1      LYS  52   8.576 -12.560   7.100
  404    HZ1  LYS  52           HZ1      LYS  52   7.671 -13.112   9.255
  405    HZ2  LYS  52           HZ2      LYS  52   6.138 -13.363   8.593
  406    HZ3  LYS  52           HZ3      LYS  52   6.814 -11.814   8.593
  407    H    ASN  53           H        ASN  53   5.229 -17.127   3.129
  408    HA   ASN  53           HA       ASN  53   7.241 -19.003   3.936
  409    HB2  ASN  53           HB2      ASN  53   4.963 -19.749   3.899
  410    HB3  ASN  53           HB1      ASN  53   4.755 -19.227   2.234
  411   HD21  ASN  53          HD21      ASN  53   5.391 -20.532   0.597
  412   HD22  ASN  53          HD22      ASN  53   5.979 -22.140   0.828
  413    H    SER  54           H        SER  54   6.811 -16.912   1.301
  414    HA   SER  54           HA       SER  54   8.524 -18.514  -0.456
  415    HB2  SER  54           HB2      SER  54   6.882 -16.037  -1.042
  416    HB3  SER  54           HB1      SER  54   7.809 -16.957  -2.226
  417    HG   SER  54           HG       SER  54   5.647 -17.600  -2.272
  418    H    VAL  55           H        VAL  55  10.311 -17.443  -1.544
  419    HA   VAL  55           HA       VAL  55  11.436 -15.221   0.036
  420    HB   VAL  55           HB       VAL  55  13.689 -16.227  -0.306
  421   HG11  VAL  55          HG11      VAL  55  11.705 -17.939   1.186
  422   HG12  VAL  55          HG12      VAL  55  12.543 -16.519   1.813
  423   HG13  VAL  55          HG13      VAL  55  13.454 -17.974   1.409
  424   HG21  VAL  55          HG21      VAL  55  12.127 -18.631  -1.249
  425   HG22  VAL  55          HG22      VAL  55  13.864 -18.584  -0.941
  426   HG23  VAL  55          HG23      VAL  55  13.172 -17.620  -2.247
  427    H    GLY  56           H        GLY  56  10.043 -15.543  -2.655
  428    HA2  GLY  56           HA2      GLY  56  12.175 -14.774  -4.497
  429    HA3  GLY  56           HA1      GLY  56  10.521 -15.180  -4.931
  430    H    ARG  57           H        ARG  57   9.477 -13.529  -5.742
  431    HA   ARG  57           HA       ARG  57  10.307 -10.814  -5.001
  432    HB2  ARG  57           HB2      ARG  57   8.898 -11.873  -7.443
  433    HB3  ARG  57           HB1      ARG  57   9.187 -10.166  -7.133
  434    HG2  ARG  57           HG2      ARG  57  11.582 -10.551  -7.140
  435    HG3  ARG  57           HG1      ARG  57  11.312 -12.274  -7.405
  436    HD2  ARG  57           HD2      ARG  57  11.851 -11.191  -9.490
  437    HD3  ARG  57           HD1      ARG  57  10.183 -11.754  -9.512
  438    HE   ARG  57           HE       ARG  57  10.335  -9.050  -8.660
  439   HH11  ARG  57          HH11      ARG  57  10.544 -11.058 -11.522
  440   HH12  ARG  57          HH12      ARG  57   9.992  -9.809 -12.589
  441   HH21  ARG  57          HH21      ARG  57   9.623  -7.406 -10.064
  442   HH22  ARG  57          HH22      ARG  57   9.475  -7.727 -11.762
  443    H    TRP  58           H        TRP  58   8.572  -9.157  -5.162
  444    HA   TRP  58           HA       TRP  58   6.167 -10.022  -3.754
  445    HB2  TRP  58           HB2      TRP  58   7.122  -7.246  -4.507
  446    HB3  TRP  58           HB1      TRP  58   5.717  -7.604  -3.518
  447    HD1  TRP  58           HD1      TRP  58   9.492  -8.544  -3.311
  448    HE1  TRP  58           HE1      TRP  58  10.245  -8.211  -0.874
  449    HE3  TRP  58           HE3      TRP  58   5.059  -6.981  -1.309
  450    HZ2  TRP  58           HZ2      TRP  58   9.106  -7.382   1.572
  451    HZ3  TRP  58           HZ3      TRP  58   4.977  -6.434   1.087
  452    HH2  TRP  58           HH2      TRP  58   6.962  -6.631   2.496
  453    H    LYS  59           H        LYS  59   4.159 -10.027  -4.680
  454    HA   LYS  59           HA       LYS  59   4.030  -9.719  -7.554
  455    HB2  LYS  59           HB2      LYS  59   1.779 -10.362  -5.637
  456    HB3  LYS  59           HB1      LYS  59   1.801 -10.631  -7.376
  457    HG2  LYS  59           HG2      LYS  59   3.678 -12.225  -7.050
  458    HG3  LYS  59           HG1      LYS  59   3.487 -12.027  -5.309
  459    HD2  LYS  59           HD2      LYS  59   2.333 -14.016  -5.931
  460    HD3  LYS  59           HD1      LYS  59   1.113 -12.793  -5.576
  461    HE2  LYS  59           HE2      LYS  59   0.705 -12.418  -7.892
  462    HE3  LYS  59           HE1      LYS  59   2.103 -13.385  -8.357
  463    HZ1  LYS  59           HZ1      LYS  59  -0.371 -14.395  -7.063
  464    HZ2  LYS  59           HZ2      LYS  59   0.980 -15.338  -7.432
  465    HZ3  LYS  59           HZ3      LYS  59   0.080 -14.628  -8.676
  466    H    GLU  60           H        GLU  60   2.745  -8.170  -8.654
  467    HA   GLU  60           HA       GLU  60   2.412  -5.740  -7.020
  468    HB2  GLU  60           HB2      GLU  60   3.479  -5.924  -9.837
  469    HB3  GLU  60           HB1      GLU  60   3.332  -4.463  -8.873
  470    HG2  GLU  60           HG2      GLU  60   5.040  -5.152  -7.394
  471    HG3  GLU  60           HG1      GLU  60   5.038  -6.790  -8.048
  472    H    ALA  61           H        ALA  61   0.558  -4.680  -7.195
  473    HA   ALA  61           HA       ALA  61  -0.963  -4.865  -9.709
  474    HB1  ALA  61           HB1      ALA  61  -3.058  -4.865  -8.451
  475    HB2  ALA  61           HB2      ALA  61  -2.158  -4.891  -6.935
  476    HB3  ALA  61           HB3      ALA  61  -2.077  -6.269  -8.033
  477    H    THR  62           H        THR  62  -1.561  -2.913 -10.510
  478    HA   THR  62           HA       THR  62  -0.977  -0.563  -8.844
  479    HB   THR  62           HB       THR  62  -1.288  -0.658 -11.851
  480    HG1  THR  62           HG1      THR  62   0.540  -1.881 -11.063
  481   HG21  THR  62          HG21      THR  62  -0.155   1.517 -11.774
  482   HG22  THR  62          HG22      THR  62  -0.111   1.434 -10.013
  483   HG23  THR  62          HG23      THR  62  -1.658   1.552 -10.852
  484    H    ILE  63           H        ILE  63  -2.599   0.605  -8.100
  485    HA   ILE  63           HA       ILE  63  -5.283   0.216  -9.267
  486    HB   ILE  63           HB       ILE  63  -4.570   1.093  -6.457
  487   HG12  ILE  63          HG12      ILE  63  -5.769  -1.199  -5.981
  488   HG13  ILE  63          HG11      ILE  63  -5.247  -1.585  -7.615
  489   HG21  ILE  63          HG21      ILE  63  -6.701   1.993  -7.262
  490   HG22  ILE  63          HG22      ILE  63  -6.932   0.821  -5.964
  491   HG23  ILE  63          HG23      ILE  63  -7.242   0.357  -7.635
  492   HD11  ILE  63          HD11      ILE  63  -2.929  -1.160  -6.963
  493   HD12  ILE  63          HD12      ILE  63  -3.674  -2.417  -5.975
  494   HD13  ILE  63          HD13      ILE  63  -3.464  -0.792  -5.323
  495    HA   PRO  64           HA       PRO  64  -5.206   4.544 -10.501
  496    HB2  PRO  64           HB2      PRO  64  -8.151   4.290 -10.099
  497    HB3  PRO  64           HB1      PRO  64  -7.246   4.860 -11.509
  498    HG2  PRO  64           HG2      PRO  64  -8.398   2.457 -11.504
  499    HG3  PRO  64           HG1      PRO  64  -6.825   2.723 -12.280
  500    HD2  PRO  64           HD2      PRO  64  -7.458   1.422  -9.668
  501    HD3  PRO  64           HD1      PRO  64  -6.215   1.009 -10.864
  502    H    GLY  65           H        GLY  65  -5.116   6.419  -9.376
  503    HA2  GLY  65           HA2      GLY  65  -5.347   6.417  -6.559
  504    HA3  GLY  65           HA1      GLY  65  -5.110   7.836  -7.569
  505    H    HIS  66           H        HIS  66  -7.694   6.738  -8.929
  506    HA   HIS  66           HA       HIS  66  -9.569   8.339  -7.496
  507    HB2  HIS  66           HB2      HIS  66  -9.798   8.245  -9.855
  508    HB3  HIS  66           HB1      HIS  66  -9.737   6.490  -9.869
  509    HD1  HIS  66           HD1      HIS  66 -12.066   9.290  -8.793
  510    HD2  HIS  66           HD2      HIS  66 -12.138   5.272  -9.858
  511    HE1  HIS  66           HE1      HIS  66 -14.501   8.671  -8.919
  512    HE2  HIS  66           HE2      HIS  66 -14.525   6.209  -9.460
  513    H    LEU  67           H        LEU  67  -8.534   5.080  -7.228
  514    HA   LEU  67           HA       LEU  67 -11.039   4.251  -5.946
  515    HB2  LEU  67           HB2      LEU  67  -8.605   2.610  -6.649
  516    HB3  LEU  67           HB1      LEU  67 -10.105   1.985  -6.001
  517    HG   LEU  67           HG       LEU  67  -9.633   3.160  -8.731
  518   HD11  LEU  67          HD11      LEU  67 -10.410   0.985  -9.497
  519   HD12  LEU  67          HD12      LEU  67 -10.602   0.460  -7.825
  520   HD13  LEU  67          HD13      LEU  67  -8.998   0.832  -8.453
  521   HD21  LEU  67          HD21      LEU  67 -12.254   2.385  -7.463
  522   HD22  LEU  67          HD22      LEU  67 -12.017   2.804  -9.158
  523   HD23  LEU  67          HD23      LEU  67 -11.753   4.016  -7.905
  524    H    ASN  68           H        ASN  68 -10.606   2.690  -4.003
  525    HA   ASN  68           HA       ASN  68  -8.370   3.555  -2.349
  526    HB2  ASN  68           HB2      ASN  68  -9.719   4.239  -0.477
  527    HB3  ASN  68           HB1      ASN  68 -10.231   5.157  -1.885
  528   HD21  ASN  68          HD21      ASN  68 -11.645   4.578   0.584
  529   HD22  ASN  68          HD22      ASN  68 -13.115   3.793   0.124
  530    H    SER  69           H        SER  69  -9.556   1.078  -3.673
  531    HA   SER  69           HA       SER  69  -8.836  -0.730  -1.588
  532    HB2  SER  69           HB2      SER  69 -11.040  -1.966  -1.611
  533    HB3  SER  69           HB1      SER  69 -11.079  -0.395  -0.809
  534    HG   SER  69           HG       SER  69 -11.637   0.075  -3.320
  535    H    TYR  70           H        TYR  70  -8.583  -2.882  -2.329
  536    HA   TYR  70           HA       TYR  70  -9.177  -3.413  -5.139
  537    HB2  TYR  70           HB2      TYR  70  -6.881  -2.557  -5.157
  538    HB3  TYR  70           HB1      TYR  70  -6.414  -3.727  -3.930
  539    HD1  TYR  70           HD1      TYR  70  -7.846  -3.559  -7.379
  540    HD2  TYR  70           HD2      TYR  70  -5.496  -5.748  -4.592
  541    HE1  TYR  70           HE1      TYR  70  -7.277  -5.181  -9.140
  542    HE2  TYR  70           HE2      TYR  70  -4.920  -7.375  -6.343
  543    HH   TYR  70           HH       TYR  70  -5.474  -6.820  -9.626
  544    H    THR  71           H        THR  71  -9.572  -5.560  -5.582
  545    HA   THR  71           HA       THR  71  -9.733  -7.322  -3.249
  546    HB   THR  71           HB       THR  71 -10.876  -7.787  -6.008
  547    HG1  THR  71           HG1      THR  71 -11.594  -5.966  -4.223
  548   HG21  THR  71          HG21      THR  71 -10.673  -9.796  -4.618
  549   HG22  THR  71          HG22      THR  71 -12.365  -9.346  -4.839
  550   HG23  THR  71          HG23      THR  71 -11.549  -8.987  -3.318
  551    H    ILE  72           H        ILE  72  -7.771  -8.263  -2.965
  552    HA   ILE  72           HA       ILE  72  -6.149  -9.082  -5.205
  553    HB   ILE  72           HB       ILE  72  -5.735  -9.728  -2.280
  554   HG12  ILE  72          HG12      ILE  72  -4.615  -7.443  -3.922
  555   HG13  ILE  72          HG11      ILE  72  -5.828  -7.291  -2.656
  556   HG21  ILE  72          HG21      ILE  72  -4.484 -11.169  -3.794
  557   HG22  ILE  72          HG22      ILE  72  -3.397 -10.068  -2.945
  558   HG23  ILE  72          HG23      ILE  72  -3.836  -9.755  -4.625
  559   HD11  ILE  72          HD11      ILE  72  -2.938  -8.047  -2.367
  560   HD12  ILE  72          HD12      ILE  72  -4.116  -8.244  -1.074
  561   HD13  ILE  72          HD13      ILE  72  -3.767  -6.631  -1.709
  562    H    LYS  73           H        LYS  73  -6.808 -10.782  -6.341
  563    HA   LYS  73           HA       LYS  73  -7.942 -13.098  -4.945
  564    HB2  LYS  73           HB2      LYS  73  -7.858 -12.412  -7.893
  565    HB3  LYS  73           HB1      LYS  73  -8.609 -13.848  -7.212
  566    HG2  LYS  73           HG2      LYS  73 -10.228 -12.491  -6.037
  567    HG3  LYS  73           HG1      LYS  73  -9.435 -11.017  -6.600
  568    HD2  LYS  73           HD2      LYS  73  -9.962 -11.596  -8.905
  569    HD3  LYS  73           HD1      LYS  73 -10.706 -13.103  -8.372
  570    HE2  LYS  73           HE2      LYS  73 -11.636 -10.348  -7.576
  571    HE3  LYS  73           HE1      LYS  73 -12.347 -11.313  -8.869
  572    HZ1  LYS  73           HZ1      LYS  73 -13.628 -11.563  -6.875
  573    HZ2  LYS  73           HZ2      LYS  73 -12.269 -12.014  -5.984
  574    HZ3  LYS  73           HZ3      LYS  73 -12.854 -13.027  -7.202
  575    H    GLY  74           H        GLY  74  -6.660 -14.781  -4.536
  576    HA2  GLY  74           HA2      GLY  74  -5.206 -16.476  -5.644
  577    HA3  GLY  74           HA1      GLY  74  -4.250 -15.117  -6.215
  578    H    LEU  75           H        LEU  75  -5.626 -15.257  -3.004
  579    HA   LEU  75           HA       LEU  75  -2.907 -15.476  -1.925
  580    HB2  LEU  75           HB2      LEU  75  -5.444 -14.455  -0.642
  581    HB3  LEU  75           HB1      LEU  75  -3.897 -14.584   0.173
  582    HG   LEU  75           HG       LEU  75  -4.552 -12.765  -2.152
  583   HD11  LEU  75          HD11      LEU  75  -4.135 -10.983  -0.550
  584   HD12  LEU  75          HD12      LEU  75  -3.861 -12.179   0.718
  585   HD13  LEU  75          HD13      LEU  75  -5.456 -12.025  -0.019
  586   HD21  LEU  75          HD21      LEU  75  -2.275 -11.889  -1.836
  587   HD22  LEU  75          HD22      LEU  75  -2.281 -13.568  -2.374
  588   HD23  LEU  75          HD23      LEU  75  -1.953 -13.185  -0.684
  589    H    LYS  76           H        LYS  76  -2.312 -17.314  -1.048
  590    HA   LYS  76           HA       LYS  76  -4.066 -19.538  -0.828
  591    HB2  LYS  76           HB2      LYS  76  -1.276 -19.206   0.278
  592    HB3  LYS  76           HB1      LYS  76  -2.118 -20.727   0.023
  593    HG2  LYS  76           HG2      LYS  76  -2.084 -20.387  -2.365
  594    HG3  LYS  76           HG1      LYS  76  -1.342 -18.800  -2.152
  595    HD2  LYS  76           HD2      LYS  76   0.619 -19.835  -1.151
  596    HD3  LYS  76           HD1      LYS  76  -0.124 -21.428  -1.306
  597    HE2  LYS  76           HE2      LYS  76   0.579 -19.580  -3.581
  598    HE3  LYS  76           HE1      LYS  76   1.499 -21.000  -3.086
  599    HZ1  LYS  76           HZ1      LYS  76  -1.282 -20.994  -4.125
  600    HZ2  LYS  76           HZ2      LYS  76  -0.453 -22.362  -3.584
  601    HZ3  LYS  76           HZ3      LYS  76   0.093 -21.530  -4.948
  602    HA   PRO  77           HA       PRO  77  -5.440 -18.846   3.397
  603    HB2  PRO  77           HB2      PRO  77  -6.303 -21.647   3.281
  604    HB3  PRO  77           HB1      PRO  77  -7.271 -20.188   3.505
  605    HG2  PRO  77           HG2      PRO  77  -7.365 -21.613   1.229
  606    HG3  PRO  77           HG1      PRO  77  -7.524 -19.846   1.237
  607    HD2  PRO  77           HD2      PRO  77  -5.135 -21.532   0.574
  608    HD3  PRO  77           HD1      PRO  77  -5.755 -20.083  -0.246
  609    H    GLY  78           H        GLY  78  -4.306 -19.074   5.234
  610    HA2  GLY  78           HA2      GLY  78  -3.202 -20.304   6.918
  611    HA3  GLY  78           HA1      GLY  78  -2.884 -21.579   5.750
  612    H    VAL  79           H        VAL  79  -2.239 -18.525   4.506
  613    HA   VAL  79           HA       VAL  79   0.632 -18.826   5.091
  614    HB   VAL  79           HB       VAL  79  -0.620 -17.783   2.536
  615   HG11  VAL  79          HG11      VAL  79   1.648 -17.793   1.647
  616   HG12  VAL  79          HG12      VAL  79   2.268 -18.284   3.223
  617   HG13  VAL  79          HG13      VAL  79   1.510 -16.703   3.029
  618   HG21  VAL  79          HG21      VAL  79  -0.893 -20.183   2.706
  619   HG22  VAL  79          HG22      VAL  79   0.820 -20.368   3.089
  620   HG23  VAL  79          HG23      VAL  79   0.332 -19.795   1.493
  621    H    VAL  80           H        VAL  80   1.747 -17.003   5.668
  622    HA   VAL  80           HA       VAL  80   0.162 -14.608   6.218
  623    HB   VAL  80           HB       VAL  80   3.020 -15.198   7.021
  624   HG11  VAL  80          HG11      VAL  80   1.059 -13.129   8.004
  625   HG12  VAL  80          HG12      VAL  80   2.497 -12.829   7.029
  626   HG13  VAL  80          HG13      VAL  80   2.659 -13.425   8.681
  627   HG21  VAL  80          HG21      VAL  80   2.090 -15.718   9.246
  628   HG22  VAL  80          HG22      VAL  80   1.569 -16.856   8.006
  629   HG23  VAL  80          HG23      VAL  80   0.465 -15.603   8.571
  630    H    TYR  81           H        TYR  81   0.626 -12.605   5.317
  631    HA   TYR  81           HA       TYR  81   2.640 -12.607   3.160
  632    HB2  TYR  81           HB2      TYR  81  -0.161 -11.477   3.069
  633    HB3  TYR  81           HB1      TYR  81   1.066 -11.165   1.851
  634    HD1  TYR  81           HD1      TYR  81  -0.873 -13.892   3.457
  635    HD2  TYR  81           HD2      TYR  81   1.359 -12.641   0.062
  636    HE1  TYR  81           HE1      TYR  81  -1.560 -15.923   2.266
  637    HE2  TYR  81           HE2      TYR  81   0.678 -14.675  -1.138
  638    HH   TYR  81           HH       TYR  81  -1.627 -16.938   0.289
  639    H    GLU  82           H        GLU  82   3.678 -10.685   2.737
  640    HA   GLU  82           HA       GLU  82   3.259  -8.494   4.657
  641    HB2  GLU  82           HB2      GLU  82   5.527  -8.940   2.702
  642    HB3  GLU  82           HB1      GLU  82   5.431  -7.651   3.892
  643    HG2  GLU  82           HG2      GLU  82   5.456  -9.367   5.671
  644    HG3  GLU  82           HG1      GLU  82   5.695 -10.595   4.429
  645    H    GLY  83           H        GLY  83   2.613  -6.479   3.934
  646    HA2  GLY  83           HA2      GLY  83   2.115  -6.272   1.033
  647    HA3  GLY  83           HA1      GLY  83   0.900  -5.810   2.215
  648    H    GLN  84           H        GLN  84   2.520  -4.389   0.068
  649    HA   GLN  84           HA       GLN  84   3.216  -2.073   1.755
  650    HB2  GLN  84           HB2      GLN  84   4.521  -2.936  -0.833
  651    HB3  GLN  84           HB1      GLN  84   4.831  -1.410  -0.023
  652    HG2  GLN  84           HG2      GLN  84   5.719  -2.617   1.904
  653    HG3  GLN  84           HG1      GLN  84   5.408  -4.147   1.081
  654   HE21  GLN  84          HE21      GLN  84   6.668  -4.721  -0.692
  655   HE22  GLN  84          HE22      GLN  84   8.189  -3.968  -1.025
  656    H    LEU  85           H        LEU  85   1.799  -0.476   1.447
  657    HA   LEU  85           HA       LEU  85   0.497  -0.218  -1.171
  658    HB2  LEU  85           HB2      LEU  85  -0.857  -0.269   0.976
  659    HB3  LEU  85           HB1      LEU  85  -0.135   1.271   1.384
  660    HG   LEU  85           HG       LEU  85  -2.474   1.351   0.423
  661   HD11  LEU  85          HD11      LEU  85  -0.371   2.880  -1.096
  662   HD12  LEU  85          HD12      LEU  85  -1.015   3.320   0.487
  663   HD13  LEU  85          HD13      LEU  85  -2.071   3.316  -0.924
  664   HD21  LEU  85          HD21      LEU  85  -2.144  -0.365  -1.297
  665   HD22  LEU  85          HD22      LEU  85  -1.039   0.713  -2.148
  666   HD23  LEU  85          HD23      LEU  85  -2.738   1.150  -1.971
  667    H    ILE  86           H        ILE  86   1.792   0.887  -2.500
  668    HA   ILE  86           HA       ILE  86   3.258   3.217  -1.461
  669    HB   ILE  86           HB       ILE  86   3.608   1.949  -4.170
  670   HG12  ILE  86          HG12      ILE  86   5.435   1.363  -1.872
  671   HG13  ILE  86          HG11      ILE  86   3.949   0.436  -2.050
  672   HG21  ILE  86          HG21      ILE  86   5.808   3.019  -4.080
  673   HG22  ILE  86          HG22      ILE  86   5.436   3.660  -2.479
  674   HG23  ILE  86          HG23      ILE  86   4.519   4.209  -3.882
  675   HD11  ILE  86          HD11      ILE  86   6.066   0.700  -4.166
  676   HD12  ILE  86          HD12      ILE  86   4.629  -0.326  -4.222
  677   HD13  ILE  86          HD13      ILE  86   5.906  -0.657  -3.051
  678    H    SER  87           H        SER  87   2.095   5.031  -1.651
  679    HA   SER  87           HA       SER  87   0.311   5.368  -3.932
  680    HB2  SER  87           HB2      SER  87   0.788   7.167  -1.548
  681    HB3  SER  87           HB1      SER  87  -0.486   7.359  -2.754
  682    HG   SER  87           HG       SER  87  -0.272   4.915  -1.420
  683    H    ILE  88           H        ILE  88   1.019   6.271  -5.731
  684    HA   ILE  88           HA       ILE  88   3.303   8.104  -5.666
  685    HB   ILE  88           HB       ILE  88   1.754   7.143  -8.081
  686   HG12  ILE  88          HG12      ILE  88   2.751   5.228  -6.928
  687   HG13  ILE  88          HG11      ILE  88   3.580   5.540  -8.448
  688   HG21  ILE  88          HG21      ILE  88   3.006   9.194  -8.457
  689   HG22  ILE  88          HG22      ILE  88   3.744   7.851  -9.331
  690   HG23  ILE  88          HG23      ILE  88   4.470   8.434  -7.834
  691   HD11  ILE  88          HD11      ILE  88   5.162   4.975  -6.721
  692   HD12  ILE  88          HD12      ILE  88   4.553   6.276  -5.699
  693   HD13  ILE  88          HD13      ILE  88   5.380   6.655  -7.209
  694    H    GLN  89           H        GLN  89   2.800  10.157  -5.223
  695    HA   GLN  89           HA       GLN  89   0.105  11.079  -5.845
  696    HB2  GLN  89           HB2      GLN  89   2.245  12.249  -4.074
  697    HB3  GLN  89           HB1      GLN  89   0.662  12.972  -4.334
  698    HG2  GLN  89           HG2      GLN  89  -0.390  10.950  -3.433
  699    HG3  GLN  89           HG1      GLN  89   1.208  10.275  -3.121
  700   HE21  GLN  89          HE21      GLN  89   2.422  11.068  -1.438
  701   HE22  GLN  89          HE22      GLN  89   1.762  12.089  -0.208
  702    H    GLN  90           H        GLN  90  -0.199  13.312  -6.558
  703    HA   GLN  90           HA       GLN  90   0.753  13.753  -9.079
  704    HB2  GLN  90           HB2      GLN  90  -1.188  14.896  -8.157
  705    HB3  GLN  90           HB1      GLN  90  -0.160  15.812  -7.064
  706    HG2  GLN  90           HG2      GLN  90   0.961  16.761  -9.113
  707    HG3  GLN  90           HG1      GLN  90  -0.340  16.032 -10.052
  708   HE21  GLN  90          HE21      GLN  90  -2.306  16.521  -7.918
  709   HE22  GLN  90          HE22      GLN  90  -2.662  18.211  -7.993
  710    H    TYR  91           H        TYR  91   2.080  15.074  -6.081
  711    HA   TYR  91           HA       TYR  91   3.966  16.734  -7.484
  712    HB2  TYR  91           HB2      TYR  91   3.741  16.149  -4.525
  713    HB3  TYR  91           HB1      TYR  91   4.667  17.453  -5.260
  714    HD1  TYR  91           HD1      TYR  91   3.564  19.444  -6.099
  715    HD2  TYR  91           HD2      TYR  91   1.298  16.257  -4.417
  716    HE1  TYR  91           HE1      TYR  91   1.602  20.921  -5.952
  717    HE2  TYR  91           HE2      TYR  91  -0.664  17.724  -4.266
  718    HH   TYR  91           HH       TYR  91  -0.890  20.683  -5.846
  719    H    GLY  92           H        GLY  92   3.983  13.552  -7.209
  720    HA2  GLY  92           HA2      GLY  92   5.750  12.120  -7.723
  721    HA3  GLY  92           HA1      GLY  92   6.880  13.420  -7.362
  722    H    HIS  93           H        HIS  93   4.733  13.260  -4.875
  723    HA   HIS  93           HA       HIS  93   6.627  12.186  -3.039
  724    HB2  HIS  93           HB2      HIS  93   4.245  13.692  -2.896
  725    HB3  HIS  93           HB1      HIS  93   3.925  12.212  -2.005
  726    HD1  HIS  93           HD1      HIS  93   5.232  11.845   0.210
  727    HD2  HIS  93           HD2      HIS  93   6.102  15.422  -1.733
  728    HE1  HIS  93           HE1      HIS  93   6.455  13.257   1.888
  729    HE2  HIS  93           HE2      HIS  93   6.788  15.478   0.755
  730    H    GLN  94           H        GLN  94   7.025  10.070  -2.721
  731    HA   GLN  94           HA       GLN  94   4.901   8.140  -3.368
  732    HB2  GLN  94           HB2      GLN  94   7.863   7.680  -2.960
  733    HB3  GLN  94           HB1      GLN  94   6.690   6.444  -3.384
  734    HG2  GLN  94           HG2      GLN  94   6.265   7.552  -5.502
  735    HG3  GLN  94           HG1      GLN  94   7.403   8.822  -5.073
  736   HE21  GLN  94          HE21      GLN  94   7.457   7.011  -7.339
  737   HE22  GLN  94          HE22      GLN  94   8.952   6.147  -7.234
  738    H    GLU  95           H        GLU  95   3.810   7.322  -1.725
  739    HA   GLU  95           HA       GLU  95   5.092   7.331   0.925
  740    HB2  GLU  95           HB2      GLU  95   2.150   7.512   0.251
  741    HB3  GLU  95           HB1      GLU  95   2.828   7.492   1.874
  742    HG2  GLU  95           HG2      GLU  95   3.147   9.624  -0.220
  743    HG3  GLU  95           HG1      GLU  95   2.305   9.743   1.326
  744    H    VAL  96           H        VAL  96   5.685   5.375   1.541
  745    HA   VAL  96           HA       VAL  96   4.163   3.063   0.565
  746    HB   VAL  96           HB       VAL  96   6.826   3.049   1.996
  747   HG11  VAL  96          HG11      VAL  96   5.390   0.927   0.401
  748   HG12  VAL  96          HG12      VAL  96   5.630   0.940   2.149
  749   HG13  VAL  96          HG13      VAL  96   7.015   0.775   1.069
  750   HG21  VAL  96          HG21      VAL  96   6.250   2.990  -0.964
  751   HG22  VAL  96          HG22      VAL  96   7.823   2.673  -0.232
  752   HG23  VAL  96          HG23      VAL  96   7.082   4.265  -0.074
  753    H    THR  97           H        THR  97   2.507   2.686   1.891
  754    HA   THR  97           HA       THR  97   2.986   2.712   4.785
  755    HB   THR  97           HB       THR  97   0.354   2.450   3.310
  756    HG1  THR  97           HG1      THR  97   0.172   4.711   4.164
  757   HG21  THR  97          HG21      THR  97   0.985   3.040   6.206
  758   HG22  THR  97          HG22      THR  97   0.307   1.537   5.578
  759   HG23  THR  97          HG23      THR  97  -0.626   3.032   5.490
  760    H    ARG  98           H        ARG  98   3.624   0.822   5.591
  761    HA   ARG  98           HA       ARG  98   3.155  -1.595   4.079
  762    HB2  ARG  98           HB2      ARG  98   4.741  -1.056   6.582
  763    HB3  ARG  98           HB1      ARG  98   4.537  -2.663   5.903
  764    HG2  ARG  98           HG2      ARG  98   5.515  -1.724   3.758
  765    HG3  ARG  98           HG1      ARG  98   5.963  -0.309   4.711
  766    HD2  ARG  98           HD2      ARG  98   7.315  -1.633   6.174
  767    HD3  ARG  98           HD1      ARG  98   6.736  -3.127   5.440
  768    HE   ARG  98           HE       ARG  98   8.175  -1.233   3.741
  769   HH11  ARG  98          HH11      ARG  98   8.171  -4.251   5.529
  770   HH12  ARG  98          HH12      ARG  98   9.575  -4.873   4.721
  771   HH21  ARG  98          HH21      ARG  98  10.020  -2.069   2.672
  772   HH22  ARG  98          HH22      ARG  98  10.623  -3.640   3.107
  773    H    PHE  99           H        PHE  99   2.112  -3.397   4.774
  774    HA   PHE  99           HA       PHE  99   0.762  -3.372   7.343
  775    HB2  PHE  99           HB2      PHE  99  -1.410  -3.998   6.359
  776    HB3  PHE  99           HB1      PHE  99  -0.913  -2.391   5.857
  777    HD1  PHE  99           HD1      PHE  99  -1.659  -5.779   4.792
  778    HD2  PHE  99           HD2      PHE  99  -0.199  -1.979   3.546
  779    HE1  PHE  99           HE1      PHE  99  -2.028  -6.412   2.444
  780    HE2  PHE  99           HE2      PHE  99  -0.561  -2.609   1.196
  781    HZ   PHE  99           HZ       PHE  99  -1.477  -4.825   0.642
  782    H    ASP 100           H        ASP 100  -0.296  -5.553   7.709
  783    HA   ASP 100           HA       ASP 100   1.248  -7.670   6.361
  784    HB2  ASP 100           HB2      ASP 100   0.457  -7.525   9.283
  785    HB3  ASP 100           HB1      ASP 100   1.180  -8.932   8.513
  786    H    PHE 101           H        PHE 101   0.142  -9.649   6.038
  787    HA   PHE 101           HA       PHE 101  -2.738  -9.521   6.599
  788    HB2  PHE 101           HB2      PHE 101  -2.622  -9.057   4.273
  789    HB3  PHE 101           HB1      PHE 101  -1.410 -10.307   4.008
  790    HD1  PHE 101           HD1      PHE 101  -4.874 -10.002   5.364
  791    HD2  PHE 101           HD2      PHE 101  -2.123 -12.260   3.037
  792    HE1  PHE 101           HE1      PHE 101  -6.650 -11.621   4.842
  793    HE2  PHE 101           HE2      PHE 101  -3.893 -13.884   2.510
  794    HZ   PHE 101           HZ       PHE 101  -6.160 -13.566   3.412
  795    H    THR 102           H        THR 102  -3.614 -11.246   7.427
  796    HA   THR 102           HA       THR 102  -2.234 -13.826   7.296
  797    HB   THR 102           HB       THR 102  -3.206 -14.129   9.704
  798    HG1  THR 102           HG1      THR 102  -3.961 -12.368  10.609
  799   HG21  THR 102          HG21      THR 102  -0.803 -12.364   9.206
  800   HG22  THR 102          HG22      THR 102  -0.813 -14.127   9.185
  801   HG23  THR 102          HG23      THR 102  -1.129 -13.262  10.687
  802    H    THR 103           H        THR 103  -3.616 -15.575   7.076
  803    HA   THR 103           HA       THR 103  -6.243 -14.918   6.099
  804    HB   THR 103           HB       THR 103  -6.369 -17.384   5.633
  805    HG1  THR 103           HG1      THR 103  -4.981 -18.220   7.169
  806   HG21  THR 103          HG21      THR 103  -4.024 -15.783   4.614
  807   HG22  THR 103          HG22      THR 103  -5.621 -15.943   3.880
  808   HG23  THR 103          HG23      THR 103  -4.522 -17.320   3.916
  809    H    THR 104           H        THR 104  -4.926 -15.777   9.069
  810    HA   THR 104           HA       THR 104  -7.478 -15.539  10.296
  811    HB   THR 104           HB       THR 104  -7.636 -17.915   9.788
  812    HG1  THR 104           HG1      THR 104  -8.537 -18.107  11.679
  813   HG21  THR 104          HG21      THR 104  -6.074 -19.534  10.763
  814   HG22  THR 104          HG22      THR 104  -5.077 -18.209  11.361
  815   HG23  THR 104          HG23      THR 104  -5.262 -18.458   9.625
  816    H    SER 105           H        SER 105  -7.232 -14.541  12.175
  817    HA   SER 105           HA       SER 105  -4.637 -14.739  13.546
  818    HB2  SER 105           HB2      SER 105  -6.379 -12.286  13.201
  819    HB3  SER 105           HB1      SER 105  -4.953 -12.362  14.238
  820    HG   SER 105           HG       SER 105  -3.697 -12.776  12.414
  821    H    THR 106           H        THR 106  -7.388 -16.018  13.812
  822    HA   THR 106           HA       THR 106  -7.573 -15.663  16.701
  823    HB   THR 106           HB       THR 106  -9.240 -14.121  15.669
  824    HG1  THR 106           HG1      THR 106 -10.990 -15.856  16.803
  825   HG21  THR 106          HG21      THR 106  -9.771 -15.406  13.670
  826   HG22  THR 106          HG22      THR 106 -11.232 -15.071  14.599
  827   HG23  THR 106          HG23      THR 106 -10.498 -16.672  14.659
  828    H    SER 107           H        SER 107  -6.798 -17.692  14.533
  829    HA   SER 107           HA       SER 107  -8.620 -19.872  14.776
  830    HB2  SER 107           HB2      SER 107  -7.030 -19.622  12.877
  831    HB3  SER 107           HB1      SER 107  -5.690 -19.901  13.988
  832    HG   SER 107           HG       SER 107  -6.254 -21.820  12.932
  833    H    THR 108           H        THR 108  -5.442 -19.165  16.184
  834    HA   THR 108           HA       THR 108  -6.063 -21.035  18.369
  835    HB   THR 108           HB       THR 108  -3.341 -19.961  17.601
  836    HG1  THR 108           HG1      THR 108  -4.760 -22.287  16.809
  837   HG21  THR 108          HG21      THR 108  -4.165 -22.259  19.385
  838   HG22  THR 108          HG22      THR 108  -3.546 -20.701  19.934
  839   HG23  THR 108          HG23      THR 108  -2.509 -21.786  19.008
  840    HA   PRO 109           HA       PRO 109  -6.516 -17.056  20.463
  841    HB2  PRO 109           HB2      PRO 109  -7.907 -17.987  22.576
  842    HB3  PRO 109           HB1      PRO 109  -8.647 -17.734  20.992
  843    HG2  PRO 109           HG2      PRO 109  -7.701 -20.267  22.261
  844    HG3  PRO 109           HG1      PRO 109  -9.158 -19.972  21.298
  845    HD2  PRO 109           HD2      PRO 109  -6.878 -21.125  20.308
  846    HD3  PRO 109           HD1      PRO 109  -8.045 -20.230  19.315
  847    H    GLY 110           H        GLY 110  -4.019 -17.754  20.645
  848    HA2  GLY 110           HA2      GLY 110  -3.212 -18.606  23.269
  849    HA3  GLY 110           HA1      GLY 110  -2.169 -17.939  22.022
  850    H    SER 111           H        SER 111  -3.800 -15.553  21.687
  851    HA   SER 111           HA       SER 111  -3.742 -14.231  24.268
  852    HB2  SER 111           HB2      SER 111  -1.445 -13.918  23.437
  853    HB3  SER 111           HB1      SER 111  -2.076 -13.260  21.928
  854    HG   SER 111           HG       SER 111  -1.897 -12.099  24.449
  855    H    ARG 112           H        ARG 112  -4.995 -12.355  24.326
  856    HA   ARG 112           HA       ARG 112  -6.970 -12.175  22.203
  857    HB2  ARG 112           HB2      ARG 112  -6.765 -10.798  24.885
  858    HB3  ARG 112           HB1      ARG 112  -8.094 -10.574  23.757
  859    HG2  ARG 112           HG2      ARG 112  -8.735 -12.880  23.970
  860    HG3  ARG 112           HG1      ARG 112  -7.318 -13.217  24.968
  861    HD2  ARG 112           HD2      ARG 112  -9.559 -11.329  25.678
  862    HD3  ARG 112           HD1      ARG 112  -9.350 -12.957  26.322
  863    HE   ARG 112           HE       ARG 112  -7.099 -12.009  27.123
  864   HH11  ARG 112          HH11      ARG 112 -10.086 -10.190  26.933
  865   HH12  ARG 112          HH12      ARG 112  -9.646  -9.097  28.207
  866   HH21  ARG 112          HH21      ARG 112  -6.515 -10.559  28.790
  867   HH22  ARG 112          HH22      ARG 112  -7.611  -9.298  29.250
  868    H    SER 113           H        SER 113  -4.015 -10.864  22.782
  869    HA   SER 113           HA       SER 113  -4.499  -8.160  21.965
  870    HB2  SER 113           HB2      SER 113  -1.910  -9.730  21.997
  871    HB3  SER 113           HB1      SER 113  -2.065  -7.977  21.894
  872    HG   SER 113           HG       SER 113  -3.352  -9.179  24.033
  873    H    HIS 114           H        HIS 114  -4.061  -7.231  19.962
  874    HA   HIS 114           HA       HIS 114  -4.036  -7.070  17.709
  875    HB2  HIS 114           HB2      HIS 114  -2.259  -9.481  18.052
  876    HB3  HIS 114           HB1      HIS 114  -2.585  -8.772  16.474
  877    HD1  HIS 114           HD1      HIS 114  -1.065  -6.936  15.772
  878    HD2  HIS 114           HD2      HIS 114  -0.984  -7.534  19.886
  879    HE1  HIS 114           HE1      HIS 114   0.748  -5.427  16.640
  880    HE2  HIS 114           HE2      HIS 114   0.867  -5.898  19.108
  881    H    HIS 115           H        HIS 115  -6.358  -7.972  18.546
  882    HA   HIS 115           HA       HIS 115  -7.065 -10.114  16.658
  883    HB2  HIS 115           HB2      HIS 115  -8.270  -9.214  19.234
  884    HB3  HIS 115           HB1      HIS 115  -9.348  -9.854  17.999
  885    HD1  HIS 115           HD1      HIS 115  -8.986 -11.345  20.650
  886    HD2  HIS 115           HD2      HIS 115  -6.779 -12.129  17.215
  887    HE1  HIS 115           HE1      HIS 115  -8.181 -13.715  20.889
  888    HE2  HIS 115           HE2      HIS 115  -6.789 -14.143  18.832
  889    H    HIS 116           H        HIS 116  -6.567  -7.143  16.301
  890    HA   HIS 116           HA       HIS 116  -8.973  -5.871  15.591
  891    HB2  HIS 116           HB2      HIS 116  -6.863  -4.646  15.883
  892    HB3  HIS 116           HB1      HIS 116  -6.178  -5.470  14.489
  893    HD1  HIS 116           HD1      HIS 116  -6.520  -4.388  12.260
  894    HD2  HIS 116           HD2      HIS 116  -9.047  -2.841  15.177
  895    HE1  HIS 116           HE1      HIS 116  -7.666  -2.428  11.190
  896    HE2  HIS 116           HE2      HIS 116  -9.085  -1.425  13.012
  897    H    HIS 117           H        HIS 117  -6.807  -8.008  13.882
  898    HA   HIS 117           HA       HIS 117  -8.306  -7.828  11.412
  899    HB2  HIS 117           HB2      HIS 117  -5.845  -8.072  11.401
  900    HB3  HIS 117           HB1      HIS 117  -6.006  -9.633  12.193
  901    HD1  HIS 117           HD1      HIS 117  -6.204  -7.970   8.890
  902    HD2  HIS 117           HD2      HIS 117  -7.016 -11.703  10.529
  903    HE1  HIS 117           HE1      HIS 117  -6.451  -9.529   6.936
  904    HE2  HIS 117           HE2      HIS 117  -6.697 -11.815   7.971
  905    H    HIS 118           H        HIS 118 -10.283  -8.673  11.644
  906    HA   HIS 118           HA       HIS 118 -11.932 -10.214  11.735
  907    HB2  HIS 118           HB2      HIS 118 -10.320 -11.584  10.386
  908    HB3  HIS 118           HB1      HIS 118  -9.756 -12.308  11.887
  909    HD1  HIS 118           HD1      HIS 118 -12.124 -12.823   9.231
  910    HD2  HIS 118           HD2      HIS 118 -12.012 -13.685  13.294
  911    HE1  HIS 118           HE1      HIS 118 -13.836 -14.623   9.588
  912    HE2  HIS 118           HE2      HIS 118 -13.843 -15.036  12.070
  913    H    HIS 119           H        HIS 119 -12.715  -9.549  13.685
  914    HA   HIS 119           HA       HIS 119 -11.694 -10.531  16.181
  915    HB2  HIS 119           HB2      HIS 119 -14.237  -9.050  15.479
  916    HB3  HIS 119           HB1      HIS 119 -13.783  -9.483  17.121
  917    HD1  HIS 119           HD1      HIS 119 -12.835  -7.182  14.310
  918    HD2  HIS 119           HD2      HIS 119 -11.851  -7.858  18.289
  919    HE1  HIS 119           HE1      HIS 119 -11.457  -5.204  15.008
  920    HE2  HIS 119           HE2      HIS 119 -11.044  -5.539  17.468
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   6.971  13.771  21.860
    2    H2   GLY   1           HT2      GLY   1   7.106  14.494  20.339
    3    H3   GLY   1           HT3      GLY   1   8.212  13.305  20.811
    4    HA2  GLY   1           HA1      GLY   1   6.452  11.649  20.862
    5    HA3  GLY   1           HA2      GLY   1   5.314  12.883  20.347
    6    H    SER   2           H        SER   2   4.956  11.291  18.578
    7    HA   SER   2           HA       SER   2   7.047  10.958  16.629
    8    HB2  SER   2           HB2      SER   2   4.089  10.342  16.430
    9    HB3  SER   2           HB1      SER   2   5.347   9.759  15.341
   10    HG   SER   2           HG       SER   2   6.267   8.982  17.539
   11    H    GLN   3           H        GLN   3   7.635  12.532  15.291
   12    HA   GLN   3           HA       GLN   3   5.928  14.813  14.844
   13    HB2  GLN   3           HB2      GLN   3   8.680  14.157  13.779
   14    HB3  GLN   3           HB1      GLN   3   7.854  15.690  13.547
   15    HG2  GLN   3           HG2      GLN   3   7.834  16.041  15.970
   16    HG3  GLN   3           HG1      GLN   3   8.685  14.514  16.189
   17   HE21  GLN   3          HE21      GLN   3  10.847  14.362  15.587
   18   HE22  GLN   3          HE22      GLN   3  11.822  15.764  15.315
   19    H    THR   4           H        THR   4   4.327  13.260  13.833
   20    HA   THR   4           HA       THR   4   3.121  12.623  12.024
   21    HB   THR   4           HB       THR   4   4.913  14.461  10.423
   22    HG1  THR   4           HG1      THR   4   3.474  15.089  12.529
   23   HG21  THR   4          HG21      THR   4   2.918  14.766   9.036
   24   HG22  THR   4          HG22      THR   4   2.023  13.649  10.064
   25   HG23  THR   4          HG23      THR   4   3.379  13.065   9.101
   26    H    THR   5           H        THR   5   4.126  10.518  12.326
   27    HA   THR   5           HA       THR   5   6.412   9.663  10.933
   28    HB   THR   5           HB       THR   5   4.055   7.958  11.756
   29    HG1  THR   5           HG1      THR   5   4.918   7.947  13.783
   30   HG21  THR   5          HG21      THR   5   5.740   6.200  11.995
   31   HG22  THR   5          HG22      THR   5   6.996   7.319  11.466
   32   HG23  THR   5          HG23      THR   5   5.724   6.829  10.347
   33    H    ALA   6           H        ALA   6   2.981   9.612  10.108
   34    HA   ALA   6           HA       ALA   6   3.683   8.811   7.360
   35    HB1  ALA   6           HB1      ALA   6   2.132   7.283   8.463
   36    HB2  ALA   6           HB2      ALA   6   1.333   8.125   7.135
   37    HB3  ALA   6           HB3      ALA   6   1.037   8.621   8.801
   38    HA   PRO   7           HA       PRO   7   2.872  13.274   6.940
   39    HB2  PRO   7           HB2      PRO   7   4.005  12.788   4.259
   40    HB3  PRO   7           HB1      PRO   7   4.510  13.939   5.499
   41    HG2  PRO   7           HG2      PRO   7   5.968  11.763   4.937
   42    HG3  PRO   7           HG1      PRO   7   5.830  12.390   6.590
   43    HD2  PRO   7           HD2      PRO   7   4.433  10.063   5.323
   44    HD3  PRO   7           HD1      PRO   7   5.129  10.210   6.952
   45    H    ASP   8           H        ASP   8   2.705  11.650   3.779
   46    HA   ASP   8           HA       ASP   8  -0.130  12.458   3.655
   47    HB2  ASP   8           HB2      ASP   8   1.887  12.246   1.414
   48    HB3  ASP   8           HB1      ASP   8   0.166  12.531   1.175
   49    H    ALA   9           H        ALA   9   1.673   9.917   4.237
   50    HA   ALA   9           HA       ALA   9   0.696   7.939   2.445
   51    HB1  ALA   9           HB1      ALA   9   1.714   6.346   3.937
   52    HB2  ALA   9           HB2      ALA   9   1.835   7.561   5.209
   53    HB3  ALA   9           HB3      ALA   9   2.795   7.726   3.740
   54    HA   PRO  10           HA       PRO  10  -3.420   7.299   4.105
   55    HB2  PRO  10           HB2      PRO  10  -2.894   4.558   3.062
   56    HB3  PRO  10           HB1      PRO  10  -4.276   5.620   2.774
   57    HG2  PRO  10           HG2      PRO  10  -2.434   5.266   0.889
   58    HG3  PRO  10           HG1      PRO  10  -3.151   6.865   1.166
   59    HD2  PRO  10           HD2      PRO  10  -0.469   5.836   1.964
   60    HD3  PRO  10           HD1      PRO  10  -0.927   7.433   1.404
   61    HA   PRO  11           HA       PRO  11  -2.007   6.050   8.127
   62    HB2  PRO  11           HB2      PRO  11  -4.622   5.224   8.918
   63    HB3  PRO  11           HB1      PRO  11  -3.796   6.735   9.300
   64    HG2  PRO  11           HG2      PRO  11  -5.796   6.157   7.201
   65    HG3  PRO  11           HG1      PRO  11  -5.424   7.686   8.014
   66    HD2  PRO  11           HD2      PRO  11  -4.722   7.228   5.467
   67    HD3  PRO  11           HD1      PRO  11  -3.692   8.180   6.557
   68    H    ASP  12           H        ASP  12  -4.675   3.839   7.183
   69    HA   ASP  12           HA       ASP  12  -2.826   1.598   7.325
   70    HB2  ASP  12           HB2      ASP  12  -3.489   1.824   9.637
   71    HB3  ASP  12           HB1      ASP  12  -5.189   1.871   9.183
   72    HA   PRO  13           HA       PRO  13  -5.830   0.168   4.282
   73    HB2  PRO  13           HB2      PRO  13  -3.966  -1.956   3.700
   74    HB3  PRO  13           HB1      PRO  13  -4.390  -0.568   2.697
   75    HG2  PRO  13           HG2      PRO  13  -1.929  -0.918   3.837
   76    HG3  PRO  13           HG1      PRO  13  -2.610   0.667   3.428
   77    HD2  PRO  13           HD2      PRO  13  -2.505  -0.724   6.083
   78    HD3  PRO  13           HD1      PRO  13  -2.218   0.984   5.691
   79    H    THR  14           H        THR  14  -7.459  -1.158   4.727
   80    HA   THR  14           HA       THR  14  -7.078  -3.200   6.799
   81    HB   THR  14           HB       THR  14  -9.705  -2.204   5.700
   82    HG1  THR  14           HG1      THR  14  -7.883  -0.904   7.277
   83   HG21  THR  14          HG21      THR  14 -10.567  -2.956   7.864
   84   HG22  THR  14          HG22      THR  14  -8.949  -3.470   8.337
   85   HG23  THR  14          HG23      THR  14  -9.777  -4.279   7.005
   86    H    VAL  15           H        VAL  15  -7.490  -5.335   6.427
   87    HA   VAL  15           HA       VAL  15  -8.178  -6.082   3.667
   88    HB   VAL  15           HB       VAL  15  -6.676  -7.637   5.780
   89   HG11  VAL  15          HG11      VAL  15  -6.392  -9.354   4.015
   90   HG12  VAL  15          HG12      VAL  15  -7.555  -8.474   3.023
   91   HG13  VAL  15          HG13      VAL  15  -8.059  -9.177   4.558
   92   HG21  VAL  15          HG21      VAL  15  -5.359  -5.900   4.671
   93   HG22  VAL  15          HG22      VAL  15  -5.805  -6.562   3.098
   94   HG23  VAL  15          HG23      VAL  15  -4.811  -7.510   4.204
   95    H    ASP  16           H        ASP  16 -10.245  -6.583   3.458
   96    HA   ASP  16           HA       ASP  16 -11.543  -8.115   5.620
   97    HB2  ASP  16           HB2      ASP  16 -12.681  -6.057   3.734
   98    HB3  ASP  16           HB1      ASP  16 -13.707  -7.201   4.591
   99    H    GLN  17           H        GLN  17 -13.082  -9.693   4.982
  100    HA   GLN  17           HA       GLN  17 -13.864 -11.454   3.795
  101    HB2  GLN  17           HB2      GLN  17 -13.464  -9.603   1.450
  102    HB3  GLN  17           HB1      GLN  17 -14.406 -11.068   1.424
  103    HG2  GLN  17           HG2      GLN  17 -14.983  -8.641   3.098
  104    HG3  GLN  17           HG1      GLN  17 -15.818  -9.100   1.615
  105   HE21  GLN  17          HE21      GLN  17 -15.412  -9.735   4.994
  106   HE22  GLN  17          HE22      GLN  17 -16.739 -10.833   5.158
  107    H    VAL  18           H        VAL  18 -12.135 -12.835   4.240
  108    HA   VAL  18           HA       VAL  18  -9.820 -12.906   2.548
  109    HB   VAL  18           HB       VAL  18  -9.691 -13.603   4.907
  110   HG11  VAL  18          HG11      VAL  18 -10.594 -15.768   5.616
  111   HG12  VAL  18          HG12      VAL  18 -11.389 -15.941   4.051
  112   HG13  VAL  18          HG13      VAL  18 -11.870 -14.643   5.144
  113   HG21  VAL  18          HG21      VAL  18  -8.019 -14.436   3.352
  114   HG22  VAL  18          HG22      VAL  18  -9.043 -15.819   2.968
  115   HG23  VAL  18          HG23      VAL  18  -8.373 -15.642   4.589
  116    H    ASP  19           H        ASP  19 -12.953 -14.307   2.546
  117    HA   ASP  19           HA       ASP  19 -14.061 -15.736   1.169
  118    HB2  ASP  19           HB2      ASP  19 -13.307 -13.851  -0.383
  119    HB3  ASP  19           HB1      ASP  19 -12.027 -14.931  -0.920
  120    H    ASP  20           H        ASP  20 -12.643 -17.089  -1.165
  121    HA   ASP  20           HA       ASP  20 -11.646 -19.365   0.314
  122    HB2  ASP  20           HB2      ASP  20 -12.986 -19.856  -1.612
  123    HB3  ASP  20           HB1      ASP  20 -11.996 -18.823  -2.638
  124    H    THR  21           H        THR  21 -10.343 -17.198  -2.189
  125    HA   THR  21           HA       THR  21  -7.715 -17.330  -0.961
  126    HB   THR  21           HB       THR  21  -6.789 -17.770  -3.385
  127    HG1  THR  21           HG1      THR  21  -9.262 -19.210  -3.456
  128   HG21  THR  21          HG21      THR  21  -6.296 -19.205  -1.486
  129   HG22  THR  21          HG22      THR  21  -6.673 -20.189  -2.900
  130   HG23  THR  21          HG23      THR  21  -7.877 -19.975  -1.629
  131    H    SER  22           H        SER  22  -9.638 -15.200  -1.312
  132    HA   SER  22           HA       SER  22  -7.936 -13.314  -2.714
  133    HB2  SER  22           HB2      SER  22  -9.887 -12.395  -4.017
  134    HB3  SER  22           HB1      SER  22  -9.341 -13.987  -4.544
  135    HG   SER  22           HG       SER  22 -11.573 -13.403  -2.886
  136    H    ILE  23           H        ILE  23  -8.045 -11.275  -1.870
  137    HA   ILE  23           HA       ILE  23  -9.901 -10.950   0.404
  138    HB   ILE  23           HB       ILE  23  -8.239  -9.637   1.543
  139   HG12  ILE  23          HG12      ILE  23  -6.273 -10.166  -0.674
  140   HG13  ILE  23          HG11      ILE  23  -7.313  -8.749  -0.709
  141   HG21  ILE  23          HG21      ILE  23  -6.457 -11.322   1.863
  142   HG22  ILE  23          HG22      ILE  23  -7.066 -12.190   0.453
  143   HG23  ILE  23          HG23      ILE  23  -8.077 -12.019   1.887
  144   HD11  ILE  23          HD11      ILE  23  -5.180  -9.433   1.289
  145   HD12  ILE  23          HD12      ILE  23  -6.368  -8.157   1.547
  146   HD13  ILE  23          HD13      ILE  23  -5.253  -8.054   0.188
  147    H    VAL  24           H        VAL  24 -10.537  -8.775   0.920
  148    HA   VAL  24           HA       VAL  24 -10.331  -6.892  -1.336
  149    HB   VAL  24           HB       VAL  24 -12.276  -6.808   0.983
  150   HG11  VAL  24          HG11      VAL  24 -13.450  -5.138  -0.360
  151   HG12  VAL  24          HG12      VAL  24 -12.198  -5.248  -1.596
  152   HG13  VAL  24          HG13      VAL  24 -11.802  -4.624   0.004
  153   HG21  VAL  24          HG21      VAL  24 -12.728  -7.731  -1.852
  154   HG22  VAL  24          HG22      VAL  24 -13.975  -7.547  -0.618
  155   HG23  VAL  24          HG23      VAL  24 -12.706  -8.756  -0.418
  156    H    VAL  25           H        VAL  25  -8.579  -5.667  -1.004
  157    HA   VAL  25           HA       VAL  25  -7.954  -4.797   1.723
  158    HB   VAL  25           HB       VAL  25  -6.051  -5.794   0.713
  159   HG11  VAL  25          HG11      VAL  25  -6.697  -5.784  -1.591
  160   HG12  VAL  25          HG12      VAL  25  -5.106  -5.042  -1.433
  161   HG13  VAL  25          HG13      VAL  25  -6.532  -4.030  -1.676
  162   HG21  VAL  25          HG21      VAL  25  -5.520  -3.793   1.962
  163   HG22  VAL  25          HG22      VAL  25  -5.750  -2.803   0.520
  164   HG23  VAL  25          HG23      VAL  25  -4.424  -3.966   0.589
  165    H    ARG  26           H        ARG  26  -8.592  -2.894   2.350
  166    HA   ARG  26           HA       ARG  26  -9.141  -0.821   0.319
  167    HB2  ARG  26           HB2      ARG  26 -10.572  -1.253   2.949
  168    HB3  ARG  26           HB1      ARG  26 -10.963  -0.041   1.739
  169    HG2  ARG  26           HG2      ARG  26 -11.631  -1.757   0.175
  170    HG3  ARG  26           HG1      ARG  26 -11.140  -3.016   1.313
  171    HD2  ARG  26           HD2      ARG  26 -13.546  -2.706   1.391
  172    HD3  ARG  26           HD1      ARG  26 -12.815  -2.203   2.914
  173    HE   ARG  26           HE       ARG  26 -13.304  -0.138   0.920
  174   HH11  ARG  26          HH11      ARG  26 -14.305  -1.679   3.900
  175   HH12  ARG  26          HH12      ARG  26 -15.316  -0.354   4.383
  176   HH21  ARG  26          HH21      ARG  26 -14.622   1.597   1.559
  177   HH22  ARG  26          HH22      ARG  26 -15.495   1.505   3.056
  178    H    TRP  27           H        TRP  27  -8.011   1.014   0.559
  179    HA   TRP  27           HA       TRP  27  -6.632   1.418   3.114
  180    HB2  TRP  27           HB2      TRP  27  -5.115   2.936   1.701
  181    HB3  TRP  27           HB1      TRP  27  -4.964   1.197   1.489
  182    HD1  TRP  27           HD1      TRP  27  -6.149   4.347  -0.336
  183    HE1  TRP  27           HE1      TRP  27  -6.427   3.788  -2.835
  184    HE3  TRP  27           HE3      TRP  27  -5.447  -0.713  -0.126
  185    HZ2  TRP  27           HZ2      TRP  27  -6.343   1.512  -4.494
  186    HZ3  TRP  27           HZ3      TRP  27  -5.559  -2.005  -2.215
  187    HH2  TRP  27           HH2      TRP  27  -5.997  -0.913  -4.353
  188    H    SER  28           H        SER  28  -7.072   3.105   4.322
  189    HA   SER  28           HA       SER  28  -8.999   5.062   3.382
  190    HB2  SER  28           HB2      SER  28  -7.728   4.736   6.112
  191    HB3  SER  28           HB1      SER  28  -9.129   5.734   5.724
  192    HG   SER  28           HG       SER  28  -9.344   3.408   6.601
  193    H    ARG  29           H        ARG  29  -8.457   7.067   2.726
  194    HA   ARG  29           HA       ARG  29  -5.719   7.778   2.567
  195    HB2  ARG  29           HB2      ARG  29  -6.642   9.962   1.616
  196    HB3  ARG  29           HB1      ARG  29  -6.940   8.479   0.728
  197    HG2  ARG  29           HG2      ARG  29  -8.877   9.984   0.789
  198    HG3  ARG  29           HG1      ARG  29  -9.209   8.406   1.497
  199    HD2  ARG  29           HD2      ARG  29 -10.191  10.101   2.881
  200    HD3  ARG  29           HD1      ARG  29  -8.820   9.370   3.721
  201    HE   ARG  29           HE       ARG  29  -7.558  11.353   3.327
  202   HH11  ARG  29          HH11      ARG  29 -10.920  11.650   2.376
  203   HH12  ARG  29          HH12      ARG  29 -10.932  13.375   2.539
  204   HH21  ARG  29          HH21      ARG  29  -7.584  13.599   3.555
  205   HH22  ARG  29          HH22      ARG  29  -9.043  14.488   3.210
  206    HA   PRO  30           HA       PRO  30  -5.069  10.270   6.150
  207    HB2  PRO  30           HB2      PRO  30  -3.717  12.306   4.524
  208    HB3  PRO  30           HB1      PRO  30  -3.055  11.254   5.776
  209    HG2  PRO  30           HG2      PRO  30  -2.460  10.920   3.176
  210    HG3  PRO  30           HG1      PRO  30  -2.605   9.551   4.294
  211    HD2  PRO  30           HD2      PRO  30  -4.570  10.563   2.278
  212    HD3  PRO  30           HD1      PRO  30  -4.128   8.898   2.676
  213    H1   MET  31           HT1      MET  31 -12.531  30.118 -16.374
  214    H2   MET  31           HT2      MET  31 -12.370  29.858 -18.035
  215    H3   MET  31           HT3      MET  31 -11.084  29.503 -16.995
  216    HA   MET  31           HA       MET  31 -13.702  28.133 -17.075
  217    HB2  MET  31           HB2      MET  31 -10.929  27.138 -17.768
  218    HB3  MET  31           HB1      MET  31 -12.400  26.181 -17.800
  219    HG2  MET  31           HG2      MET  31 -13.280  27.541 -19.599
  220    HG3  MET  31           HG1      MET  31 -11.853  28.575 -19.539
  221    HE1  MET  31           HE1      MET  31 -11.770  24.139 -20.806
  222    HE2  MET  31           HE2      MET  31 -13.226  24.992 -20.296
  223    HE3  MET  31           HE3      MET  31 -11.948  24.651 -19.130
  224    H    ARG  32           H        ARG  32 -14.172  28.141 -14.909
  225    HA   ARG  32           HA       ARG  32 -12.303  27.878 -12.839
  226    HB2  ARG  32           HB2      ARG  32 -14.178  27.467 -11.368
  227    HB3  ARG  32           HB1      ARG  32 -14.613  28.717 -12.525
  228    HG2  ARG  32           HG2      ARG  32 -15.881  27.098 -13.821
  229    HG3  ARG  32           HG1      ARG  32 -15.412  25.819 -12.702
  230    HD2  ARG  32           HD2      ARG  32 -16.509  27.136 -10.877
  231    HD3  ARG  32           HD1      ARG  32 -17.121  28.228 -12.117
  232    HE   ARG  32           HE       ARG  32 -17.782  25.529 -12.708
  233   HH11  ARG  32          HH11      ARG  32 -18.692  28.244 -10.699
  234   HH12  ARG  32          HH12      ARG  32 -20.324  27.698 -10.476
  235   HH21  ARG  32          HH21      ARG  32 -19.937  24.802 -12.416
  236   HH22  ARG  32          HH22      ARG  32 -21.032  25.748 -11.455
  237    H    GLY  33           H        GLY  33 -11.214  26.206 -12.052
  238    HA2  GLY  33           HA2      GLY  33 -10.980  23.965 -11.330
  239    HA3  GLY  33           HA1      GLY  33 -12.262  23.497 -12.436
  240    H    SER  34           H        SER  34 -10.605  25.365 -14.390
  241    HA   SER  34           HA       SER  34  -9.232  23.183 -15.641
  242    HB2  SER  34           HB2      SER  34 -10.349  25.069 -16.889
  243    HB3  SER  34           HB1      SER  34  -9.050  26.123 -16.337
  244    HG   SER  34           HG       SER  34  -7.575  24.775 -17.440
  245    H    ASN  35           H        ASN  35  -8.426  25.756 -13.484
  246    HA   ASN  35           HA       ASN  35  -5.666  24.743 -13.395
  247    HB2  ASN  35           HB2      ASN  35  -5.953  27.095 -14.424
  248    HB3  ASN  35           HB1      ASN  35  -6.366  27.616 -12.793
  249   HD21  ASN  35          HD21      ASN  35  -4.138  28.392 -14.463
  250   HD22  ASN  35          HD22      ASN  35  -2.698  27.995 -13.590
  251    H    ALA  36           H        ALA  36  -6.878  23.364 -11.811
  252    HA   ALA  36           HA       ALA  36  -7.051  24.720  -9.202
  253    HB1  ALA  36           HB1      ALA  36  -8.784  22.459 -10.193
  254    HB2  ALA  36           HB2      ALA  36  -9.280  24.139  -9.993
  255    HB3  ALA  36           HB3      ALA  36  -8.846  23.176  -8.583
  256    HA   PRO  37           HA       PRO  37  -3.680  21.618  -8.764
  257    HB2  PRO  37           HB2      PRO  37  -3.209  23.389  -6.429
  258    HB3  PRO  37           HB1      PRO  37  -2.066  22.796  -7.638
  259    HG2  PRO  37           HG2      PRO  37  -2.888  25.330  -7.665
  260    HG3  PRO  37           HG1      PRO  37  -2.646  24.433  -9.177
  261    HD2  PRO  37           HD2      PRO  37  -5.193  25.096  -7.755
  262    HD3  PRO  37           HD1      PRO  37  -4.839  25.100  -9.495
  263    H    GLN  38           H        GLN  38  -3.881  19.801  -7.610
  264    HA   GLN  38           HA       GLN  38  -5.814  19.784  -5.402
  265    HB2  GLN  38           HB2      GLN  38  -4.682  17.479  -6.992
  266    HB3  GLN  38           HB1      GLN  38  -5.930  17.364  -5.760
  267    HG2  GLN  38           HG2      GLN  38  -7.413  18.724  -7.142
  268    HG3  GLN  38           HG1      GLN  38  -6.158  18.829  -8.378
  269   HE21  GLN  38          HE21      GLN  38  -8.460  16.776  -6.797
  270   HE22  GLN  38          HE22      GLN  38  -8.412  15.489  -7.949
  271    HA   PRO  39           HA       PRO  39  -2.133  19.488  -2.825
  272    HB2  PRO  39           HB2      PRO  39  -3.481  19.561  -0.454
  273    HB3  PRO  39           HB1      PRO  39  -3.081  21.004  -1.392
  274    HG2  PRO  39           HG2      PRO  39  -5.658  19.497  -1.240
  275    HG3  PRO  39           HG1      PRO  39  -5.382  21.248  -1.279
  276    HD2  PRO  39           HD2      PRO  39  -6.160  19.845  -3.457
  277    HD3  PRO  39           HD1      PRO  39  -5.126  21.284  -3.568
  278    H    SER  40           H        SER  40  -1.170  17.610  -2.557
  279    HA   SER  40           HA       SER  40  -0.735  15.439  -2.073
  280    HB2  SER  40           HB2      SER  40  -1.455  16.199   0.202
  281    HB3  SER  40           HB1      SER  40  -3.084  15.637  -0.172
  282    HG   SER  40           HG       SER  40  -0.802  13.957  -0.329
  283    H    HIS  41           H        HIS  41  -2.122  15.783  -4.366
  284    HA   HIS  41           HA       HIS  41  -4.320  13.901  -4.445
  285    HB2  HIS  41           HB2      HIS  41  -4.516  15.804  -5.892
  286    HB3  HIS  41           HB1      HIS  41  -2.924  15.518  -6.582
  287    HD1  HIS  41           HD1      HIS  41  -6.364  13.890  -6.501
  288    HD2  HIS  41           HD2      HIS  41  -2.944  14.039  -8.862
  289    HE1  HIS  41           HE1      HIS  41  -6.925  12.610  -8.589
  290    HE2  HIS  41           HE2      HIS  41  -4.884  12.811 -10.051
  291    H    ILE  42           H        ILE  42  -4.160  11.804  -4.894
  292    HA   ILE  42           HA       ILE  42  -1.553  10.717  -5.630
  293    HB   ILE  42           HB       ILE  42  -4.087   9.401  -4.648
  294   HG12  ILE  42          HG12      ILE  42  -2.458   8.574  -2.862
  295   HG13  ILE  42          HG11      ILE  42  -1.314   9.746  -3.503
  296   HG21  ILE  42          HG21      ILE  42  -1.552   8.048  -5.555
  297   HG22  ILE  42          HG22      ILE  42  -3.122   7.966  -6.352
  298   HG23  ILE  42          HG23      ILE  42  -2.909   7.258  -4.750
  299   HD11  ILE  42          HD11      ILE  42  -2.885  11.545  -2.978
  300   HD12  ILE  42          HD12      ILE  42  -2.437  10.612  -1.550
  301   HD13  ILE  42          HD13      ILE  42  -4.008  10.359  -2.312
  302    H    SER  43           H        SER  43  -1.099   9.914  -7.587
  303    HA   SER  43           HA       SER  43  -3.134  10.211  -9.651
  304    HB2  SER  43           HB2      SER  43  -0.874  11.202  -9.967
  305    HB3  SER  43           HB1      SER  43  -0.184   9.580  -9.927
  306    HG   SER  43           HG       SER  43  -1.194  10.880 -12.004
  307    H    LYS  44           H        LYS  44  -1.255   7.731  -8.042
  308    HA   LYS  44           HA       LYS  44  -3.098   5.731  -8.899
  309    HB2  LYS  44           HB2      LYS  44  -1.481   4.256 -10.024
  310    HB3  LYS  44           HB1      LYS  44  -1.728   5.754 -10.905
  311    HG2  LYS  44           HG2      LYS  44   0.383   6.620 -10.084
  312    HG3  LYS  44           HG1      LYS  44   0.621   5.165  -9.109
  313    HD2  LYS  44           HD2      LYS  44   0.669   3.805 -11.134
  314    HD3  LYS  44           HD1      LYS  44   0.399   5.243 -12.119
  315    HE2  LYS  44           HE2      LYS  44   2.757   4.921 -10.278
  316    HE3  LYS  44           HE1      LYS  44   2.785   4.436 -11.970
  317    HZ1  LYS  44           HZ1      LYS  44   3.706   6.666 -11.594
  318    HZ2  LYS  44           HZ2      LYS  44   2.203   7.187 -11.020
  319    HZ3  LYS  44           HZ3      LYS  44   2.365   6.692 -12.626
  320    H    TYR  45           H        TYR  45  -3.053   3.930  -7.635
  321    HA   TYR  45           HA       TYR  45  -1.136   3.930  -5.401
  322    HB2  TYR  45           HB2      TYR  45  -3.737   2.402  -5.684
  323    HB3  TYR  45           HB1      TYR  45  -2.718   2.459  -4.257
  324    HD1  TYR  45           HD1      TYR  45  -5.390   4.021  -6.073
  325    HD2  TYR  45           HD2      TYR  45  -2.521   4.640  -2.994
  326    HE1  TYR  45           HE1      TYR  45  -6.732   5.888  -5.208
  327    HE2  TYR  45           HE2      TYR  45  -3.855   6.514  -2.121
  328    HH   TYR  45           HH       TYR  45  -7.030   7.036  -2.950
  329    H    ILE  46           H        ILE  46   0.352   2.320  -5.288
  330    HA   ILE  46           HA       ILE  46  -0.020   0.052  -7.127
  331    HB   ILE  46           HB       ILE  46   2.534   1.216  -6.004
  332   HG12  ILE  46          HG12      ILE  46   3.103   1.250  -8.499
  333   HG13  ILE  46          HG11      ILE  46   1.399   0.927  -8.788
  334   HG21  ILE  46          HG21      ILE  46   2.659  -1.217  -5.905
  335   HG22  ILE  46          HG22      ILE  46   3.739  -0.575  -7.141
  336   HG23  ILE  46          HG23      ILE  46   2.207  -1.317  -7.606
  337   HD11  ILE  46          HD11      ILE  46   1.882   3.281  -9.019
  338   HD12  ILE  46          HD12      ILE  46   2.541   3.327  -7.384
  339   HD13  ILE  46          HD13      ILE  46   0.824   3.007  -7.634
  340    H    LEU  47           H        LEU  47  -0.637  -1.749  -6.226
  341    HA   LEU  47           HA       LEU  47  -0.175  -2.192  -3.366
  342    HB2  LEU  47           HB2      LEU  47  -2.440  -2.488  -4.708
  343    HB3  LEU  47           HB1      LEU  47  -1.749  -4.040  -5.124
  344    HG   LEU  47           HG       LEU  47  -3.265  -4.295  -3.265
  345   HD11  LEU  47          HD11      LEU  47  -0.400  -4.557  -2.390
  346   HD12  LEU  47          HD12      LEU  47  -1.377  -5.769  -3.219
  347   HD13  LEU  47          HD13      LEU  47  -1.783  -5.286  -1.574
  348   HD21  LEU  47          HD21      LEU  47  -2.909  -3.205  -1.122
  349   HD22  LEU  47          HD22      LEU  47  -3.189  -2.023  -2.402
  350   HD23  LEU  47          HD23      LEU  47  -1.556  -2.298  -1.798
  351    H    ARG  48           H        ARG  48   1.675  -3.203  -2.912
  352    HA   ARG  48           HA       ARG  48   2.573  -5.355  -4.721
  353    HB2  ARG  48           HB2      ARG  48   4.151  -3.551  -2.886
  354    HB3  ARG  48           HB1      ARG  48   4.825  -5.001  -3.607
  355    HG2  ARG  48           HG2      ARG  48   4.546  -4.090  -5.798
  356    HG3  ARG  48           HG1      ARG  48   3.685  -2.694  -5.150
  357    HD2  ARG  48           HD2      ARG  48   5.678  -2.019  -3.928
  358    HD3  ARG  48           HD1      ARG  48   6.543  -3.427  -4.541
  359    HE   ARG  48           HE       ARG  48   5.931  -2.347  -6.815
  360   HH11  ARG  48          HH11      ARG  48   6.904  -0.678  -3.893
  361   HH12  ARG  48          HH12      ARG  48   7.577   0.680  -4.740
  362   HH21  ARG  48          HH21      ARG  48   6.842  -0.564  -7.935
  363   HH22  ARG  48          HH22      ARG  48   7.552   0.738  -7.032
  364    H    TRP  49           H        TRP  49   2.677  -7.378  -3.924
  365    HA   TRP  49           HA       TRP  49   2.831  -7.701  -1.029
  366    HB2  TRP  49           HB2      TRP  49   1.067  -9.368  -0.963
  367    HB3  TRP  49           HB1      TRP  49   0.439  -7.847  -1.579
  368    HD1  TRP  49           HD1      TRP  49   0.755 -11.483  -2.425
  369    HE1  TRP  49           HE1      TRP  49  -0.343 -11.945  -4.709
  370    HE3  TRP  49           HE3      TRP  49   0.116  -6.665  -4.010
  371    HZ2  TRP  49           HZ2      TRP  49  -1.338 -10.460  -6.889
  372    HZ3  TRP  49           HZ3      TRP  49  -0.921  -6.273  -6.205
  373    HH2  TRP  49           HH2      TRP  49  -1.631  -8.133  -7.617
  374    H    ARG  50           H        ARG  50   3.923  -9.436  -0.329
  375    HA   ARG  50           HA       ARG  50   4.832 -11.443  -2.261
  376    HB2  ARG  50           HB2      ARG  50   6.588  -9.677  -2.108
  377    HB3  ARG  50           HB1      ARG  50   6.685  -9.965  -0.376
  378    HG2  ARG  50           HG2      ARG  50   7.306 -12.336  -0.895
  379    HG3  ARG  50           HG1      ARG  50   7.417 -11.861  -2.591
  380    HD2  ARG  50           HD2      ARG  50   9.613 -11.790  -1.645
  381    HD3  ARG  50           HD1      ARG  50   9.080 -10.134  -1.933
  382    HE   ARG  50           HE       ARG  50   8.524 -11.052   0.729
  383   HH11  ARG  50          HH11      ARG  50  10.997  -9.718  -1.342
  384   HH12  ARG  50          HH12      ARG  50  11.862  -8.959  -0.044
  385   HH21  ARG  50          HH21      ARG  50   9.662 -10.062   2.454
  386   HH22  ARG  50          HH22      ARG  50  11.090  -9.141   2.114
  387    HA   PRO  51           HA       PRO  51   3.710 -14.214   1.082
  388    HB2  PRO  51           HB2      PRO  51   5.878 -15.816  -0.199
  389    HB3  PRO  51           HB1      PRO  51   4.249 -16.307   0.276
  390    HG2  PRO  51           HG2      PRO  51   4.826 -15.855  -2.277
  391    HG3  PRO  51           HG1      PRO  51   3.270 -15.349  -1.595
  392    HD2  PRO  51           HD2      PRO  51   5.659 -13.705  -2.294
  393    HD3  PRO  51           HD1      PRO  51   3.935 -13.298  -2.400
  394    H    LYS  52           H        LYS  52   4.407 -13.707   3.028
  395    HA   LYS  52           HA       LYS  52   7.160 -13.122   3.648
  396    HB2  LYS  52           HB2      LYS  52   5.261 -11.947   4.701
  397    HB3  LYS  52           HB1      LYS  52   4.732 -13.452   5.420
  398    HG2  LYS  52           HG2      LYS  52   5.845 -12.144   7.078
  399    HG3  LYS  52           HG1      LYS  52   6.840 -13.546   6.693
  400    HD2  LYS  52           HD2      LYS  52   8.383 -12.264   5.487
  401    HD3  LYS  52           HD1      LYS  52   7.280 -10.895   5.364
  402    HE2  LYS  52           HE2      LYS  52   8.537 -11.911   7.903
  403    HE3  LYS  52           HE1      LYS  52   9.063 -10.492   6.999
  404    HZ1  LYS  52           HZ1      LYS  52   7.672  -9.833   8.831
  405    HZ2  LYS  52           HZ2      LYS  52   6.431 -10.861   8.329
  406    HZ3  LYS  52           HZ3      LYS  52   6.846  -9.518   7.385
  407    H    ASN  53           H        ASN  53   4.892 -15.720   4.031
  408    HA   ASN  53           HA       ASN  53   6.327 -17.320   5.863
  409    HB2  ASN  53           HB2      ASN  53   3.902 -17.560   5.308
  410    HB3  ASN  53           HB1      ASN  53   4.364 -18.224   3.747
  411   HD21  ASN  53          HD21      ASN  53   5.126 -20.310   3.623
  412   HD22  ASN  53          HD22      ASN  53   5.074 -21.407   4.959
  413    H    SER  54           H        SER  54   6.652 -16.780   2.490
  414    HA   SER  54           HA       SER  54   8.720 -18.871   2.329
  415    HB2  SER  54           HB2      SER  54   7.060 -17.821   0.023
  416    HB3  SER  54           HB1      SER  54   8.155 -19.200   0.010
  417    HG   SER  54           HG       SER  54   6.692 -20.085   1.687
  418    H    VAL  55           H        VAL  55  10.059 -18.126   0.063
  419    HA   VAL  55           HA       VAL  55  11.167 -15.577   0.721
  420    HB   VAL  55           HB       VAL  55  12.604 -17.312  -0.228
  421   HG11  VAL  55          HG11      VAL  55  11.047 -16.975  -2.785
  422   HG12  VAL  55          HG12      VAL  55  10.975 -18.377  -1.721
  423   HG13  VAL  55          HG13      VAL  55  12.478 -17.981  -2.553
  424   HG21  VAL  55          HG21      VAL  55  12.302 -14.884  -1.966
  425   HG22  VAL  55          HG22      VAL  55  13.711 -15.942  -1.945
  426   HG23  VAL  55          HG23      VAL  55  13.272 -15.027  -0.503
  427    H    GLY  56           H        GLY  56   9.245 -16.835  -2.002
  428    HA2  GLY  56           HA2      GLY  56   7.429 -15.873  -3.015
  429    HA3  GLY  56           HA1      GLY  56   7.559 -14.539  -1.885
  430    H    ARG  57           H        ARG  57   6.822 -14.233  -4.507
  431    HA   ARG  57           HA       ARG  57   9.061 -12.621  -5.537
  432    HB2  ARG  57           HB2      ARG  57   6.769 -13.931  -7.015
  433    HB3  ARG  57           HB1      ARG  57   7.851 -12.756  -7.744
  434    HG2  ARG  57           HG2      ARG  57   8.706 -15.402  -6.595
  435    HG3  ARG  57           HG1      ARG  57   8.416 -15.082  -8.307
  436    HD2  ARG  57           HD2      ARG  57  10.515 -13.834  -6.540
  437    HD3  ARG  57           HD1      ARG  57  10.774 -14.944  -7.885
  438    HE   ARG  57           HE       ARG  57   9.494 -12.371  -8.438
  439   HH11  ARG  57          HH11      ARG  57  12.324 -14.417  -8.672
  440   HH12  ARG  57          HH12      ARG  57  13.100 -13.413  -9.857
  441   HH21  ARG  57          HH21      ARG  57  10.505 -11.056  -9.988
  442   HH22  ARG  57          HH22      ARG  57  12.061 -11.505 -10.611
  443    H    TRP  58           H        TRP  58   8.636 -10.459  -5.952
  444    HA   TRP  58           HA       TRP  58   6.417  -9.282  -4.619
  445    HB2  TRP  58           HB2      TRP  58   8.516  -8.166  -6.473
  446    HB3  TRP  58           HB1      TRP  58   7.222  -7.169  -5.822
  447    HD1  TRP  58           HD1      TRP  58  10.664  -8.164  -5.093
  448    HE1  TRP  58           HE1      TRP  58  11.297  -7.579  -2.668
  449    HE3  TRP  58           HE3      TRP  58   5.989  -7.268  -3.238
  450    HZ2  TRP  58           HZ2      TRP  58   9.979  -6.845  -0.281
  451    HZ3  TRP  58           HZ3      TRP  58   5.760  -6.635  -0.873
  452    HH2  TRP  58           HH2      TRP  58   7.716  -6.428   0.575
  453    H    LYS  59           H        LYS  59   4.405  -9.375  -5.349
  454    HA   LYS  59           HA       LYS  59   3.924  -9.185  -8.239
  455    HB2  LYS  59           HB2      LYS  59   2.049  -9.936  -5.984
  456    HB3  LYS  59           HB1      LYS  59   1.615  -9.886  -7.687
  457    HG2  LYS  59           HG2      LYS  59   3.223 -11.665  -8.153
  458    HG3  LYS  59           HG1      LYS  59   3.665 -11.714  -6.445
  459    HD2  LYS  59           HD2      LYS  59   1.370 -12.328  -5.869
  460    HD3  LYS  59           HD1      LYS  59   0.920 -12.264  -7.573
  461    HE2  LYS  59           HE2      LYS  59   1.278 -14.555  -6.920
  462    HE3  LYS  59           HE1      LYS  59   2.544 -14.059  -8.036
  463    HZ1  LYS  59           HZ1      LYS  59   4.038 -13.761  -6.177
  464    HZ2  LYS  59           HZ2      LYS  59   3.417 -15.333  -6.169
  465    HZ3  LYS  59           HZ3      LYS  59   2.819 -14.184  -5.084
  466    H    GLU  60           H        GLU  60   2.865  -7.444  -9.103
  467    HA   GLU  60           HA       GLU  60   2.283  -5.256  -7.214
  468    HB2  GLU  60           HB2      GLU  60   3.401  -4.885  -9.988
  469    HB3  GLU  60           HB1      GLU  60   3.269  -3.686  -8.708
  470    HG2  GLU  60           HG2      GLU  60   4.915  -4.988  -7.393
  471    HG3  GLU  60           HG1      GLU  60   5.099  -6.072  -8.768
  472    H    ALA  61           H        ALA  61   0.522  -4.000  -7.594
  473    HA   ALA  61           HA       ALA  61  -0.973  -4.379 -10.090
  474    HB1  ALA  61           HB1      ALA  61  -2.046  -5.780  -8.393
  475    HB2  ALA  61           HB2      ALA  61  -3.085  -4.432  -8.857
  476    HB3  ALA  61           HB3      ALA  61  -2.200  -4.381  -7.332
  477    H    THR  62           H        THR  62  -1.609  -2.486 -10.977
  478    HA   THR  62           HA       THR  62  -1.176  -0.062  -9.383
  479    HB   THR  62           HB       THR  62  -1.435  -0.323 -12.387
  480    HG1  THR  62           HG1      THR  62   0.519  -1.194 -11.146
  481   HG21  THR  62          HG21      THR  62  -2.096   1.882 -11.565
  482   HG22  THR  62          HG22      THR  62  -0.553   1.973 -12.415
  483   HG23  THR  62          HG23      THR  62  -0.594   2.004 -10.652
  484    H    ILE  63           H        ILE  63  -2.871   0.887  -8.560
  485    HA   ILE  63           HA       ILE  63  -5.500   0.594  -9.868
  486    HB   ILE  63           HB       ILE  63  -4.913   1.343  -6.989
  487   HG12  ILE  63          HG12      ILE  63  -6.145  -0.970  -6.668
  488   HG13  ILE  63          HG11      ILE  63  -5.518  -1.289  -8.280
  489   HG21  ILE  63          HG21      ILE  63  -7.523   0.666  -8.331
  490   HG22  ILE  63          HG22      ILE  63  -6.997   2.281  -7.858
  491   HG23  ILE  63          HG23      ILE  63  -7.298   1.054  -6.626
  492   HD11  ILE  63          HD11      ILE  63  -3.248  -0.896  -7.475
  493   HD12  ILE  63          HD12      ILE  63  -4.049  -2.179  -6.567
  494   HD13  ILE  63          HD13      ILE  63  -3.878  -0.572  -5.860
  495    HA   PRO  64           HA       PRO  64  -5.262   4.924 -11.051
  496    HB2  PRO  64           HB2      PRO  64  -8.197   4.694 -10.530
  497    HB3  PRO  64           HB1      PRO  64  -7.353   5.389 -11.921
  498    HG2  PRO  64           HG2      PRO  64  -8.477   2.991 -12.098
  499    HG3  PRO  64           HG1      PRO  64  -6.906   3.310 -12.855
  500    HD2  PRO  64           HD2      PRO  64  -7.540   1.793 -10.370
  501    HD3  PRO  64           HD1      PRO  64  -6.263   1.514 -11.568
  502    H    GLY  65           H        GLY  65  -5.347   6.921 -10.013
  503    HA2  GLY  65           HA2      GLY  65  -5.180   6.731  -7.157
  504    HA3  GLY  65           HA1      GLY  65  -4.896   8.163  -8.128
  505    H    HIS  66           H        HIS  66  -7.839   6.228  -7.987
  506    HA   HIS  66           HA       HIS  66  -9.128   8.138  -6.250
  507    HB2  HIS  66           HB2      HIS  66 -11.048   8.479  -7.850
  508    HB3  HIS  66           HB1      HIS  66  -9.554   9.294  -8.289
  509    HD1  HIS  66           HD1      HIS  66  -8.632   8.828 -10.562
  510    HD2  HIS  66           HD2      HIS  66 -11.597   6.133  -9.471
  511    HE1  HIS  66           HE1      HIS  66  -9.124   7.497 -12.633
  512    HE2  HIS  66           HE2      HIS  66 -11.066   6.022 -11.999
  513    H    LEU  67           H        LEU  67  -8.403   5.191  -6.646
  514    HA   LEU  67           HA       LEU  67 -11.024   4.174  -5.763
  515    HB2  LEU  67           HB2      LEU  67  -8.879   2.538  -7.121
  516    HB3  LEU  67           HB1      LEU  67 -10.476   1.996  -6.656
  517    HG   LEU  67           HG       LEU  67  -9.829   3.964  -8.849
  518   HD11  LEU  67          HD11      LEU  67  -9.294   1.655  -9.398
  519   HD12  LEU  67          HD12      LEU  67 -10.675   2.234 -10.328
  520   HD13  LEU  67          HD13      LEU  67 -10.926   1.165  -8.948
  521   HD21  LEU  67          HD21      LEU  67 -12.493   2.891  -7.931
  522   HD22  LEU  67          HD22      LEU  67 -12.219   3.884  -9.363
  523   HD23  LEU  67          HD23      LEU  67 -11.927   4.551  -7.758
  524    H    ASN  68           H        ASN  68 -11.012   3.364  -3.742
  525    HA   ASN  68           HA       ASN  68  -8.377   2.983  -2.478
  526    HB2  ASN  68           HB2      ASN  68 -10.941   4.118  -1.380
  527    HB3  ASN  68           HB1      ASN  68  -9.678   3.512  -0.318
  528   HD21  ASN  68          HD21      ASN  68  -9.367   5.543   0.570
  529   HD22  ASN  68          HD22      ASN  68  -8.566   6.813  -0.284
  530    H    SER  69           H        SER  69  -9.603   0.883  -3.841
  531    HA   SER  69           HA       SER  69  -9.663  -1.095  -1.784
  532    HB2  SER  69           HB2      SER  69 -11.983  -0.342  -1.590
  533    HB3  SER  69           HB1      SER  69 -12.221  -0.560  -3.320
  534    HG   SER  69           HG       SER  69 -12.831  -2.307  -1.638
  535    H    TYR  70           H        TYR  70  -8.913  -2.971  -2.579
  536    HA   TYR  70           HA       TYR  70  -9.237  -3.555  -5.431
  537    HB2  TYR  70           HB2      TYR  70  -7.032  -2.442  -5.154
  538    HB3  TYR  70           HB1      TYR  70  -6.571  -3.686  -3.999
  539    HD1  TYR  70           HD1      TYR  70  -5.611  -5.703  -4.741
  540    HD2  TYR  70           HD2      TYR  70  -7.542  -3.148  -7.543
  541    HE1  TYR  70           HE1      TYR  70  -4.751  -7.084  -6.584
  542    HE2  TYR  70           HE2      TYR  70  -6.689  -4.525  -9.391
  543    HH   TYR  70           HH       TYR  70  -5.427  -7.581  -8.980
  544    H    THR  71           H        THR  71  -9.204  -5.774  -5.921
  545    HA   THR  71           HA       THR  71  -9.465  -7.516  -3.568
  546    HB   THR  71           HB       THR  71 -10.470  -8.034  -6.373
  547    HG1  THR  71           HG1      THR  71 -11.366  -6.216  -4.795
  548   HG21  THR  71          HG21      THR  71 -10.171 -10.048  -5.012
  549   HG22  THR  71          HG22      THR  71 -11.882  -9.716  -5.278
  550   HG23  THR  71          HG23      THR  71 -11.141  -9.331  -3.725
  551    H    ILE  72           H        ILE  72  -7.474  -8.372  -3.195
  552    HA   ILE  72           HA       ILE  72  -5.713  -9.116  -5.363
  553    HB   ILE  72           HB       ILE  72  -5.412  -9.774  -2.429
  554   HG12  ILE  72          HG12      ILE  72  -4.328  -7.407  -3.977
  555   HG13  ILE  72          HG11      ILE  72  -5.598  -7.340  -2.759
  556   HG21  ILE  72          HG21      ILE  72  -4.031 -11.131  -3.902
  557   HG22  ILE  72          HG22      ILE  72  -3.037 -10.005  -2.978
  558   HG23  ILE  72          HG23      ILE  72  -3.400  -9.676  -4.672
  559   HD11  ILE  72          HD11      ILE  72  -2.687  -7.947  -2.376
  560   HD12  ILE  72          HD12      ILE  72  -3.898  -8.290  -1.144
  561   HD13  ILE  72          HD13      ILE  72  -3.638  -6.627  -1.681
  562    H    LYS  73           H        LYS  73  -5.551 -11.074  -6.291
  563    HA   LYS  73           HA       LYS  73  -7.185 -13.241  -5.146
  564    HB2  LYS  73           HB2      LYS  73  -6.456 -12.783  -8.047
  565    HB3  LYS  73           HB1      LYS  73  -7.501 -14.053  -7.427
  566    HG2  LYS  73           HG2      LYS  73  -9.138 -12.423  -6.727
  567    HG3  LYS  73           HG1      LYS  73  -8.075 -11.105  -7.222
  568    HD2  LYS  73           HD2      LYS  73  -8.179 -11.960  -9.549
  569    HD3  LYS  73           HD1      LYS  73  -9.338 -13.179  -9.013
  570    HE2  LYS  73           HE2      LYS  73 -10.860 -11.401  -8.288
  571    HE3  LYS  73           HE1      LYS  73  -9.704 -10.190  -8.839
  572    HZ1  LYS  73           HZ1      LYS  73 -11.130 -12.168 -10.533
  573    HZ2  LYS  73           HZ2      LYS  73  -9.943 -11.103 -11.096
  574    HZ3  LYS  73           HZ3      LYS  73 -11.400 -10.499 -10.488
  575    H    GLY  74           H        GLY  74  -6.293 -15.239  -4.887
  576    HA2  GLY  74           HA2      GLY  74  -4.735 -16.953  -5.464
  577    HA3  GLY  74           HA1      GLY  74  -3.623 -15.713  -6.022
  578    H    LEU  75           H        LEU  75  -5.219 -15.195  -3.008
  579    HA   LEU  75           HA       LEU  75  -2.658 -15.551  -1.642
  580    HB2  LEU  75           HB2      LEU  75  -5.229 -14.278  -0.693
  581    HB3  LEU  75           HB1      LEU  75  -3.751 -14.373   0.244
  582    HG   LEU  75           HG       LEU  75  -4.234 -12.758  -2.261
  583   HD11  LEU  75          HD11      LEU  75  -5.048 -11.799  -0.172
  584   HD12  LEU  75          HD12      LEU  75  -3.689 -10.882  -0.822
  585   HD13  LEU  75          HD13      LEU  75  -3.444 -11.978   0.537
  586   HD21  LEU  75          HD21      LEU  75  -2.024 -13.737  -2.434
  587   HD22  LEU  75          HD22      LEU  75  -1.644 -13.230  -0.790
  588   HD23  LEU  75          HD23      LEU  75  -1.896 -12.022  -2.050
  589    H    LYS  76           H        LYS  76  -2.290 -17.085  -0.152
  590    HA   LYS  76           HA       LYS  76  -4.377 -19.126   0.140
  591    HB2  LYS  76           HB2      LYS  76  -1.392 -19.250   0.610
  592    HB3  LYS  76           HB1      LYS  76  -2.501 -20.599   0.826
  593    HG2  LYS  76           HG2      LYS  76  -3.033 -20.599  -1.525
  594    HG3  LYS  76           HG1      LYS  76  -2.047 -19.159  -1.780
  595    HD2  LYS  76           HD2      LYS  76  -0.826 -21.131  -2.481
  596    HD3  LYS  76           HD1      LYS  76  -0.058 -20.425  -1.060
  597    HE2  LYS  76           HE2      LYS  76  -0.125 -22.826  -0.828
  598    HE3  LYS  76           HE1      LYS  76  -1.208 -22.094   0.352
  599    HZ1  LYS  76           HZ1      LYS  76  -2.076 -23.239  -2.246
  600    HZ2  LYS  76           HZ2      LYS  76  -3.081 -22.644  -1.026
  601    HZ3  LYS  76           HZ3      LYS  76  -2.170 -24.044  -0.762
  602    HA   PRO  77           HA       PRO  77  -4.966 -17.865   4.433
  603    HB2  PRO  77           HB2      PRO  77  -6.303 -20.520   4.455
  604    HB3  PRO  77           HB1      PRO  77  -6.908 -18.952   5.001
  605    HG2  PRO  77           HG2      PRO  77  -7.791 -20.018   2.734
  606    HG3  PRO  77           HG1      PRO  77  -7.474 -18.277   2.848
  607    HD2  PRO  77           HD2      PRO  77  -5.817 -20.427   1.586
  608    HD3  PRO  77           HD1      PRO  77  -6.150 -18.780   1.014
  609    H    GLY  78           H        GLY  78  -3.678 -18.253   6.120
  610    HA2  GLY  78           HA2      GLY  78  -2.493 -19.693   7.631
  611    HA3  GLY  78           HA1      GLY  78  -2.311 -20.852   6.319
  612    H    VAL  79           H        VAL  79  -1.598 -18.842   4.382
  613    HA   VAL  79           HA       VAL  79   1.222 -18.672   4.973
  614    HB   VAL  79           HB       VAL  79  -0.360 -17.796   2.543
  615   HG11  VAL  79          HG11      VAL  79   1.751 -16.569   2.727
  616   HG12  VAL  79          HG12      VAL  79   1.765 -17.705   1.374
  617   HG13  VAL  79          HG13      VAL  79   2.617 -18.101   2.866
  618   HG21  VAL  79          HG21      VAL  79   0.581 -19.806   1.498
  619   HG22  VAL  79          HG22      VAL  79  -0.451 -20.193   2.876
  620   HG23  VAL  79          HG23      VAL  79   1.305 -20.254   3.041
  621    H    VAL  80           H        VAL  80   2.336 -16.850   5.490
  622    HA   VAL  80           HA       VAL  80   0.822 -14.461   6.139
  623    HB   VAL  80           HB       VAL  80   3.797 -14.874   6.461
  624   HG11  VAL  80          HG11      VAL  80   3.582 -13.183   8.215
  625   HG12  VAL  80          HG12      VAL  80   1.858 -13.048   7.874
  626   HG13  VAL  80          HG13      VAL  80   3.038 -12.567   6.655
  627   HG21  VAL  80          HG21      VAL  80   2.653 -16.695   7.592
  628   HG22  VAL  80          HG22      VAL  80   1.611 -15.542   8.425
  629   HG23  VAL  80          HG23      VAL  80   3.341 -15.573   8.765
  630    H    TYR  81           H        TYR  81   1.100 -12.453   5.151
  631    HA   TYR  81           HA       TYR  81   2.795 -12.427   2.745
  632    HB2  TYR  81           HB2      TYR  81  -0.067 -11.498   2.980
  633    HB3  TYR  81           HB1      TYR  81   0.985 -11.064   1.640
  634    HD1  TYR  81           HD1      TYR  81   1.754 -12.787   0.059
  635    HD2  TYR  81           HD2      TYR  81  -1.048 -13.683   3.131
  636    HE1  TYR  81           HE1      TYR  81   1.136 -14.853  -1.115
  637    HE2  TYR  81           HE2      TYR  81  -1.674 -15.755   1.963
  638    HH   TYR  81           HH       TYR  81   0.126 -16.942  -0.753
  639    H    GLU  82           H        GLU  82   3.826 -10.573   2.275
  640    HA   GLU  82           HA       GLU  82   3.541  -8.319   4.143
  641    HB2  GLU  82           HB2      GLU  82   5.754  -9.218   2.305
  642    HB3  GLU  82           HB1      GLU  82   5.717  -7.588   2.960
  643    HG2  GLU  82           HG2      GLU  82   5.623 -10.027   4.693
  644    HG3  GLU  82           HG1      GLU  82   7.134  -9.275   4.189
  645    H    GLY  83           H        GLY  83   2.115  -6.863   3.400
  646    HA2  GLY  83           HA2      GLY  83   2.137  -6.295   0.504
  647    HA3  GLY  83           HA1      GLY  83   0.703  -6.178   1.514
  648    H    GLN  84           H        GLN  84   2.321  -4.234  -0.191
  649    HA   GLN  84           HA       GLN  84   2.267  -2.102   1.830
  650    HB2  GLN  84           HB2      GLN  84   4.278  -2.248  -0.424
  651    HB3  GLN  84           HB1      GLN  84   4.159  -0.986   0.793
  652    HG2  GLN  84           HG2      GLN  84   5.889  -2.216   1.624
  653    HG3  GLN  84           HG1      GLN  84   4.530  -2.975   2.451
  654   HE21  GLN  84          HE21      GLN  84   5.552  -4.929   2.717
  655   HE22  GLN  84          HE22      GLN  84   5.877  -5.999   1.401
  656    H    LEU  85           H        LEU  85   1.135  -0.366   1.279
  657    HA   LEU  85           HA       LEU  85   0.087  -0.188  -1.454
  658    HB2  LEU  85           HB2      LEU  85  -1.480  -0.183   0.518
  659    HB3  LEU  85           HB1      LEU  85  -0.757   1.326   1.027
  660    HG   LEU  85           HG       LEU  85  -2.999   1.453  -0.178
  661   HD11  LEU  85          HD11      LEU  85  -0.736   3.057  -1.351
  662   HD12  LEU  85          HD12      LEU  85  -1.537   3.397   0.182
  663   HD13  LEU  85          HD13      LEU  85  -2.443   3.498  -1.327
  664   HD21  LEU  85          HD21      LEU  85  -2.975   1.380  -2.593
  665   HD22  LEU  85          HD22      LEU  85  -2.446  -0.171  -1.942
  666   HD23  LEU  85          HD23      LEU  85  -1.263   0.962  -2.593
  667    H    ILE  86           H        ILE  86   1.489   0.898  -2.701
  668    HA   ILE  86           HA       ILE  86   2.911   3.196  -1.573
  669    HB   ILE  86           HB       ILE  86   3.293   1.962  -4.310
  670   HG12  ILE  86          HG12      ILE  86   5.516   1.205  -3.136
  671   HG13  ILE  86          HG11      ILE  86   4.567   1.351  -1.664
  672   HG21  ILE  86          HG21      ILE  86   5.016   3.863  -2.725
  673   HG22  ILE  86          HG22      ILE  86   4.017   4.289  -4.118
  674   HG23  ILE  86          HG23      ILE  86   5.393   3.202  -4.317
  675   HD11  ILE  86          HD11      ILE  86   4.581  -0.928  -2.460
  676   HD12  ILE  86          HD12      ILE  86   3.932  -0.410  -4.018
  677   HD13  ILE  86          HD13      ILE  86   2.954  -0.254  -2.558
  678    H    SER  87           H        SER  87   1.797   5.018  -1.664
  679    HA   SER  87           HA       SER  87  -0.037   5.488  -3.878
  680    HB2  SER  87           HB2      SER  87  -0.645   7.543  -2.513
  681    HB3  SER  87           HB1      SER  87  -0.988   5.990  -1.754
  682    HG   SER  87           HG       SER  87   1.146   6.286  -0.709
  683    H    ILE  88           H        ILE  88   0.707   6.415  -5.645
  684    HA   ILE  88           HA       ILE  88   3.088   8.091  -5.551
  685    HB   ILE  88           HB       ILE  88   1.433   7.245  -7.936
  686   HG12  ILE  88          HG12      ILE  88   2.439   5.315  -6.801
  687   HG13  ILE  88          HG11      ILE  88   3.198   5.599  -8.362
  688   HG21  ILE  88          HG21      ILE  88   4.179   8.482  -7.779
  689   HG22  ILE  88          HG22      ILE  88   2.711   9.264  -8.363
  690   HG23  ILE  88          HG23      ILE  88   3.397   7.905  -9.252
  691   HD11  ILE  88          HD11      ILE  88   4.322   6.348  -5.676
  692   HD12  ILE  88          HD12      ILE  88   5.081   6.682  -7.233
  693   HD13  ILE  88          HD13      ILE  88   4.848   5.015  -6.702
  694    H    GLN  89           H        GLN  89   2.691  10.110  -4.899
  695    HA   GLN  89           HA       GLN  89   0.205  11.427  -5.505
  696    HB2  GLN  89           HB2      GLN  89   2.702  12.305  -4.074
  697    HB3  GLN  89           HB1      GLN  89   1.347  13.388  -4.367
  698    HG2  GLN  89           HG2      GLN  89  -0.120  11.896  -3.111
  699    HG3  GLN  89           HG1      GLN  89   1.239  10.810  -2.817
  700   HE21  GLN  89          HE21      GLN  89   2.819  11.400  -1.370
  701   HE22  GLN  89          HE22      GLN  89   2.622  12.705  -0.254
  702    H    GLN  90           H        GLN  90   0.126  13.538  -6.441
  703    HA   GLN  90           HA       GLN  90   0.996  13.515  -9.096
  704    HB2  GLN  90           HB2      GLN  90  -1.037  14.630  -8.129
  705    HB3  GLN  90           HB1      GLN  90   0.018  15.892  -7.514
  706    HG2  GLN  90           HG2      GLN  90   0.709  16.381  -9.836
  707    HG3  GLN  90           HG1      GLN  90  -0.468  15.192 -10.396
  708   HE21  GLN  90          HE21      GLN  90  -0.002  18.318  -8.985
  709   HE22  GLN  90          HE22      GLN  90  -1.628  18.876  -9.180
  710    H    TYR  91           H        TYR  91   2.634  14.529  -6.309
  711    HA   TYR  91           HA       TYR  91   4.353  16.424  -7.716
  712    HB2  TYR  91           HB2      TYR  91   4.618  15.548  -4.841
  713    HB3  TYR  91           HB1      TYR  91   5.200  17.033  -5.583
  714    HD1  TYR  91           HD1      TYR  91   3.416  18.692  -6.440
  715    HD2  TYR  91           HD2      TYR  91   2.564  15.500  -3.759
  716    HE1  TYR  91           HE1      TYR  91   1.346  19.828  -5.752
  717    HE2  TYR  91           HE2      TYR  91   0.494  16.626  -3.068
  718    HH   TYR  91           HH       TYR  91  -0.856  19.206  -4.768
  719    H    GLY  92           H        GLY  92   4.160  13.178  -7.429
  720    HA2  GLY  92           HA2      GLY  92   5.765  11.629  -8.153
  721    HA3  GLY  92           HA1      GLY  92   7.022  12.822  -7.865
  722    H    HIS  93           H        HIS  93   5.489  13.219  -5.194
  723    HA   HIS  93           HA       HIS  93   7.251  11.765  -3.567
  724    HB2  HIS  93           HB2      HIS  93   6.093  13.865  -2.900
  725    HB3  HIS  93           HB1      HIS  93   4.579  12.980  -2.820
  726    HD1  HIS  93           HD1      HIS  93   5.182  14.310  -0.323
  727    HD2  HIS  93           HD2      HIS  93   6.849  10.606  -1.182
  728    HE1  HIS  93           HE1      HIS  93   5.770  13.303   1.899
  729    HE2  HIS  93           HE2      HIS  93   6.468  10.945   1.349
  730    H    GLN  94           H        GLN  94   7.258   9.687  -3.097
  731    HA   GLN  94           HA       GLN  94   4.826   8.106  -3.501
  732    HB2  GLN  94           HB2      GLN  94   7.625   7.098  -2.969
  733    HB3  GLN  94           HB1      GLN  94   6.261   6.184  -3.599
  734    HG2  GLN  94           HG2      GLN  94   6.311   7.566  -5.634
  735    HG3  GLN  94           HG1      GLN  94   7.727   8.405  -5.004
  736   HE21  GLN  94          HE21      GLN  94   7.460   6.865  -7.429
  737   HE22  GLN  94          HE22      GLN  94   8.623   5.587  -7.332
  738    H    GLU  95           H        GLU  95   3.651   7.572  -1.785
  739    HA   GLU  95           HA       GLU  95   4.981   7.443   0.842
  740    HB2  GLU  95           HB2      GLU  95   2.117   8.058   0.108
  741    HB3  GLU  95           HB1      GLU  95   2.651   7.758   1.754
  742    HG2  GLU  95           HG2      GLU  95   3.806   9.923   0.025
  743    HG3  GLU  95           HG1      GLU  95   2.420  10.168   1.086
  744    H    VAL  96           H        VAL  96   5.296   5.455   1.563
  745    HA   VAL  96           HA       VAL  96   3.701   3.275   0.408
  746    HB   VAL  96           HB       VAL  96   6.406   3.156   1.751
  747   HG11  VAL  96          HG11      VAL  96   5.222   1.072   2.066
  748   HG12  VAL  96          HG12      VAL  96   6.487   0.848   0.857
  749   HG13  VAL  96          HG13      VAL  96   4.807   1.013   0.352
  750   HG21  VAL  96          HG21      VAL  96   5.628   3.046  -1.161
  751   HG22  VAL  96          HG22      VAL  96   7.231   2.658  -0.537
  752   HG23  VAL  96          HG23      VAL  96   6.588   4.289  -0.357
  753    H    THR  97           H        THR  97   2.065   2.714   1.690
  754    HA   THR  97           HA       THR  97   2.524   2.581   4.584
  755    HB   THR  97           HB       THR  97  -0.084   2.266   3.090
  756    HG1  THR  97           HG1      THR  97  -0.240   4.479   4.330
  757   HG21  THR  97          HG21      THR  97  -1.074   2.661   5.310
  758   HG22  THR  97          HG22      THR  97   0.542   2.689   6.013
  759   HG23  THR  97          HG23      THR  97  -0.075   1.208   5.283
  760    H    ARG  98           H        ARG  98   3.238   0.699   5.291
  761    HA   ARG  98           HA       ARG  98   2.832  -1.739   3.799
  762    HB2  ARG  98           HB2      ARG  98   4.183  -1.258   6.459
  763    HB3  ARG  98           HB1      ARG  98   4.226  -2.762   5.555
  764    HG2  ARG  98           HG2      ARG  98   5.411  -1.613   3.731
  765    HG3  ARG  98           HG1      ARG  98   5.384  -0.126   4.679
  766    HD2  ARG  98           HD2      ARG  98   7.528  -1.357   4.851
  767    HD3  ARG  98           HD1      ARG  98   6.723  -1.119   6.399
  768    HE   ARG  98           HE       ARG  98   6.146  -3.649   5.138
  769   HH11  ARG  98          HH11      ARG  98   8.260  -1.896   7.305
  770   HH12  ARG  98          HH12      ARG  98   8.828  -3.322   8.112
  771   HH21  ARG  98          HH21      ARG  98   6.895  -5.554   6.215
  772   HH22  ARG  98          HH22      ARG  98   8.060  -5.389   7.495
  773    H    PHE  99           H        PHE  99   1.566  -3.462   4.388
  774    HA   PHE  99           HA       PHE  99   0.181  -3.312   6.960
  775    HB2  PHE  99           HB2      PHE  99  -1.952  -3.960   5.980
  776    HB3  PHE  99           HB1      PHE  99  -1.402  -2.444   5.287
  777    HD1  PHE  99           HD1      PHE  99  -0.687  -2.330   2.955
  778    HD2  PHE  99           HD2      PHE  99  -2.153  -5.949   4.653
  779    HE1  PHE  99           HE1      PHE  99  -1.025  -3.250   0.699
  780    HE2  PHE  99           HE2      PHE  99  -2.483  -6.878   2.400
  781    HZ   PHE  99           HZ       PHE  99  -1.921  -5.527   0.421
  782    H    ASP 100           H        ASP 100  -0.343  -5.276   7.856
  783    HA   ASP 100           HA       ASP 100   1.124  -7.551   6.734
  784    HB2  ASP 100           HB2      ASP 100   1.848  -7.003   8.951
  785    HB3  ASP 100           HB1      ASP 100   0.193  -6.891   9.533
  786    H    PHE 101           H        PHE 101   0.087  -9.368   6.118
  787    HA   PHE 101           HA       PHE 101  -2.690  -9.717   6.970
  788    HB2  PHE 101           HB2      PHE 101  -2.985  -8.804   4.793
  789    HB3  PHE 101           HB1      PHE 101  -1.693  -9.798   4.123
  790    HD1  PHE 101           HD1      PHE 101  -4.998 -10.133   5.821
  791    HD2  PHE 101           HD2      PHE 101  -2.239 -11.735   3.006
  792    HE1  PHE 101           HE1      PHE 101  -6.627 -11.876   5.222
  793    HE2  PHE 101           HE2      PHE 101  -3.864 -13.478   2.399
  794    HZ   PHE 101           HZ       PHE 101  -6.059 -13.552   3.507
  795    H    THR 102           H        THR 102  -3.155 -11.672   7.615
  796    HA   THR 102           HA       THR 102  -2.408 -13.989   6.231
  797    HB   THR 102           HB       THR 102  -0.251 -13.562   7.479
  798    HG1  THR 102           HG1      THR 102  -0.724 -15.646   6.786
  799   HG21  THR 102          HG21      THR 102  -1.942 -14.263   9.878
  800   HG22  THR 102          HG22      THR 102  -1.160 -12.713   9.572
  801   HG23  THR 102          HG23      THR 102  -0.182 -14.151   9.863
  802    H    THR 103           H        THR 103  -3.752 -15.665   6.789
  803    HA   THR 103           HA       THR 103  -5.292 -15.526   9.248
  804    HB   THR 103           HB       THR 103  -6.684 -15.558   6.557
  805    HG1  THR 103           HG1      THR 103  -5.846 -13.506   8.133
  806   HG21  THR 103          HG21      THR 103  -8.740 -15.390   7.865
  807   HG22  THR 103          HG22      THR 103  -7.805 -15.435   9.360
  808   HG23  THR 103          HG23      THR 103  -7.842 -16.845   8.302
  809    H    THR 104           H        THR 104  -4.789 -17.497   9.988
  810    HA   THR 104           HA       THR 104  -4.445 -19.724   8.176
  811    HB   THR 104           HB       THR 104  -4.304 -19.745  11.196
  812    HG1  THR 104           HG1      THR 104  -2.739 -18.317  10.626
  813   HG21  THR 104          HG21      THR 104  -4.457 -21.950  10.114
  814   HG22  THR 104          HG22      THR 104  -2.876 -21.696  10.853
  815   HG23  THR 104          HG23      THR 104  -3.068 -21.546   9.107
  816    H    SER 105           H        SER 105  -6.364 -20.401   7.381
  817    HA   SER 105           HA       SER 105  -8.705 -20.553   9.060
  818    HB2  SER 105           HB2      SER 105  -8.321 -21.326   6.160
  819    HB3  SER 105           HB1      SER 105  -9.868 -21.183   6.996
  820    HG   SER 105           HG       SER 105  -9.267 -19.297   5.764
  821    H    THR 106           H        THR 106  -6.953 -22.246  10.186
  822    HA   THR 106           HA       THR 106  -7.465 -24.942   9.253
  823    HB   THR 106           HB       THR 106  -6.187 -24.131  11.873
  824    HG1  THR 106           HG1      THR 106  -4.315 -23.879  10.830
  825   HG21  THR 106          HG21      THR 106  -6.000 -26.644  10.205
  826   HG22  THR 106          HG22      THR 106  -6.866 -26.473  11.733
  827   HG23  THR 106          HG23      THR 106  -5.108 -26.335  11.693
  828    H    SER 107           H        SER 107  -9.785 -24.749   9.363
  829    HA   SER 107           HA       SER 107 -11.002 -24.371  11.968
  830    HB2  SER 107           HB2      SER 107 -11.966 -23.389   9.881
  831    HB3  SER 107           HB1      SER 107 -12.306 -25.022   9.316
  832    HG   SER 107           HG       SER 107 -13.577 -23.503  11.258
  833    H    THR 108           H        THR 108  -9.797 -26.956  10.139
  834    HA   THR 108           HA       THR 108 -11.416 -28.857  11.702
  835    HB   THR 108           HB       THR 108 -10.080 -29.363   9.035
  836    HG1  THR 108           HG1      THR 108 -12.608 -28.449   9.789
  837   HG21  THR 108          HG21      THR 108 -12.001 -31.049  10.650
  838   HG22  THR 108          HG22      THR 108 -10.281 -31.376  10.430
  839   HG23  THR 108          HG23      THR 108 -11.378 -31.443   9.049
  840    HA   PRO 109           HA       PRO 109  -7.218 -29.555  13.400
  841    HB2  PRO 109           HB2      PRO 109  -8.747 -30.536  15.701
  842    HB3  PRO 109           HB1      PRO 109  -7.540 -29.251  15.630
  843    HG2  PRO 109           HG2      PRO 109 -10.154 -28.736  16.023
  844    HG3  PRO 109           HG1      PRO 109  -9.099 -27.630  15.123
  845    HD2  PRO 109           HD2      PRO 109 -11.070 -29.637  14.082
  846    HD3  PRO 109           HD1      PRO 109 -10.759 -27.975  13.536
  847    H    GLY 110           H        GLY 110 -10.016 -31.484  12.883
  848    HA2  GLY 110           HA2      GLY 110  -9.047 -34.005  13.712
  849    HA3  GLY 110           HA1      GLY 110 -10.348 -33.729  12.565
  850    H    SER 111           H        SER 111  -8.154 -32.058  11.077
  851    HA   SER 111           HA       SER 111  -7.346 -34.111   9.281
  852    HB2  SER 111           HB2      SER 111  -6.277 -31.287   9.510
  853    HB3  SER 111           HB1      SER 111  -6.173 -32.345   8.102
  854    HG   SER 111           HG       SER 111  -7.974 -30.648   8.347
  855    H    ARG 112           H        ARG 112  -6.091 -32.828  12.184
  856    HA   ARG 112           HA       ARG 112  -3.382 -33.732  11.825
  857    HB2  ARG 112           HB2      ARG 112  -3.833 -31.883  13.335
  858    HB3  ARG 112           HB1      ARG 112  -4.945 -32.874  14.270
  859    HG2  ARG 112           HG2      ARG 112  -3.015 -34.348  14.850
  860    HG3  ARG 112           HG1      ARG 112  -1.958 -33.164  14.073
  861    HD2  ARG 112           HD2      ARG 112  -2.786 -31.442  15.610
  862    HD3  ARG 112           HD1      ARG 112  -3.812 -32.638  16.391
  863    HE   ARG 112           HE       ARG 112  -0.967 -33.217  16.336
  864   HH11  ARG 112          HH11      ARG 112  -3.698 -31.987  18.140
  865   HH12  ARG 112          HH12      ARG 112  -2.908 -32.124  19.679
  866   HH21  ARG 112          HH21      ARG 112   0.082 -33.390  18.371
  867   HH22  ARG 112          HH22      ARG 112  -0.771 -32.928  19.810
  868    H    SER 113           H        SER 113  -6.259 -34.815  13.558
  869    HA   SER 113           HA       SER 113  -5.137 -37.124  14.715
  870    HB2  SER 113           HB2      SER 113  -8.043 -36.696  13.998
  871    HB3  SER 113           HB1      SER 113  -7.390 -37.693  15.300
  872    HG   SER 113           HG       SER 113  -6.465 -35.591  16.067
  873    H    HIS 114           H        HIS 114  -5.024 -39.209  14.037
  874    HA   HIS 114           HA       HIS 114  -5.036 -41.028  12.683
  875    HB2  HIS 114           HB2      HIS 114  -7.358 -39.635  11.319
  876    HB3  HIS 114           HB1      HIS 114  -6.896 -41.316  11.077
  877    HD1  HIS 114           HD1      HIS 114  -9.066 -39.228  13.066
  878    HD2  HIS 114           HD2      HIS 114  -7.144 -42.878  13.581
  879    HE1  HIS 114           HE1      HIS 114 -10.221 -40.335  14.999
  880    HE2  HIS 114           HE2      HIS 114  -9.114 -42.582  15.233
  881    H    HIS 115           H        HIS 115  -6.067 -40.490   9.750
  882    HA   HIS 115           HA       HIS 115  -5.144 -40.120   7.726
  883    HB2  HIS 115           HB2      HIS 115  -3.761 -37.948   9.284
  884    HB3  HIS 115           HB1      HIS 115  -3.474 -38.183   7.565
  885    HD1  HIS 115           HD1      HIS 115  -4.782 -36.545   6.270
  886    HD2  HIS 115           HD2      HIS 115  -6.863 -37.855   9.619
  887    HE1  HIS 115           HE1      HIS 115  -6.999 -35.364   6.191
  888    HE2  HIS 115           HE2      HIS 115  -8.318 -36.365   8.088
  889    H    HIS 116           H        HIS 116  -4.000 -42.102   9.503
  890    HA   HIS 116           HA       HIS 116  -1.175 -42.109   8.715
  891    HB2  HIS 116           HB2      HIS 116  -2.726 -43.931  10.570
  892    HB3  HIS 116           HB1      HIS 116  -1.031 -44.157  10.158
  893    HD1  HIS 116           HD1      HIS 116  -2.591 -43.288  12.980
  894    HD2  HIS 116           HD2      HIS 116   0.039 -41.113  10.609
  895    HE1  HIS 116           HE1      HIS 116  -1.614 -41.532  14.489
  896    HE2  HIS 116           HE2      HIS 116   0.091 -40.340  13.075
  897    H    HIS 117           H        HIS 117  -3.964 -42.855   7.345
  898    HA   HIS 117           HA       HIS 117  -2.751 -44.918   5.660
  899    HB2  HIS 117           HB2      HIS 117  -4.315 -45.945   7.389
  900    HB3  HIS 117           HB1      HIS 117  -5.624 -45.078   6.597
  901    HD1  HIS 117           HD1      HIS 117  -6.753 -46.288   4.748
  902    HD2  HIS 117           HD2      HIS 117  -2.986 -47.831   5.568
  903    HE1  HIS 117           HE1      HIS 117  -6.535 -48.338   3.313
  904    HE2  HIS 117           HE2      HIS 117  -4.345 -49.371   4.001
  905    H    HIS 118           H        HIS 118  -2.745 -42.311   5.066
  906    HA   HIS 118           HA       HIS 118  -3.295 -40.734   3.547
  907    HB2  HIS 118           HB2      HIS 118  -4.771 -43.058   2.350
  908    HB3  HIS 118           HB1      HIS 118  -4.923 -41.447   1.661
  909    HD1  HIS 118           HD1      HIS 118  -3.321 -40.970  -0.139
  910    HD2  HIS 118           HD2      HIS 118  -1.865 -43.843   2.486
  911    HE1  HIS 118           HE1      HIS 118  -1.122 -41.707  -1.101
  912    HE2  HIS 118           HE2      HIS 118  -0.196 -43.343   0.570
  913    H    HIS 119           H        HIS 119  -6.379 -42.489   3.816
  914    HA   HIS 119           HA       HIS 119  -7.565 -40.137   5.093
  915    HB2  HIS 119           HB2      HIS 119  -8.606 -41.473   2.588
  916    HB3  HIS 119           HB1      HIS 119  -9.575 -40.396   3.586
  917    HD1  HIS 119           HD1      HIS 119  -7.231 -40.409   0.810
  918    HD2  HIS 119           HD2      HIS 119  -8.481 -37.684   3.687
  919    HE1  HIS 119           HE1      HIS 119  -6.519 -38.153  -0.043
  920    HE2  HIS 119           HE2      HIS 119  -7.486 -36.512   1.608
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   5.363  22.959   6.802
    2    H2   GLY   1           HT2      GLY   1   6.233  22.088   5.645
    3    H3   GLY   1           HT3      GLY   1   5.086  21.303   6.604
    4    HA2  GLY   1           HA1      GLY   1   3.314  22.580   5.592
    5    HA3  GLY   1           HA2      GLY   1   4.506  23.408   4.600
    6    H    SER   2           H        SER   2   2.175  21.507   4.059
    7    HA   SER   2           HA       SER   2   3.505  19.214   2.885
    8    HB2  SER   2           HB2      SER   2   0.579  19.976   2.839
    9    HB3  SER   2           HB1      SER   2   1.258  18.411   2.391
   10    HG   SER   2           HG       SER   2   2.145  19.027   4.820
   11    H    GLN   3           H        GLN   3   3.582  22.175   1.900
   12    HA   GLN   3           HA       GLN   3   2.671  21.908  -0.813
   13    HB2  GLN   3           HB2      GLN   3   2.948  24.097   0.504
   14    HB3  GLN   3           HB1      GLN   3   4.668  23.935   0.182
   15    HG2  GLN   3           HG2      GLN   3   3.652  25.413  -1.426
   16    HG3  GLN   3           HG1      GLN   3   4.210  23.941  -2.223
   17   HE21  GLN   3          HE21      GLN   3   1.448  25.796  -1.230
   18   HE22  GLN   3          HE22      GLN   3   0.271  24.908  -2.138
   19    H    THR   4           H        THR   4   5.742  21.747   0.917
   20    HA   THR   4           HA       THR   4   6.985  20.552  -1.462
   21    HB   THR   4           HB       THR   4   8.312  21.588   1.057
   22    HG1  THR   4           HG1      THR   4   7.777  22.711  -1.484
   23   HG21  THR   4          HG21      THR   4   9.601  19.810  -0.029
   24   HG22  THR   4          HG22      THR   4  10.396  21.372  -0.221
   25   HG23  THR   4          HG23      THR   4   9.499  20.669  -1.567
   26    H    THR   5           H        THR   5   6.835  20.093   2.083
   27    HA   THR   5           HA       THR   5   7.568  17.295   1.782
   28    HB   THR   5           HB       THR   5   6.831  18.781   4.314
   29    HG1  THR   5           HG1      THR   5   9.496  18.189   3.722
   30   HG21  THR   5          HG21      THR   5   8.353  16.209   3.852
   31   HG22  THR   5          HG22      THR   5   6.730  16.351   4.528
   32   HG23  THR   5          HG23      THR   5   8.113  16.989   5.416
   33    H    ALA   6           H        ALA   6   5.816  16.326   0.781
   34    HA   ALA   6           HA       ALA   6   3.275  16.436   2.269
   35    HB1  ALA   6           HB1      ALA   6   2.092  16.139   0.165
   36    HB2  ALA   6           HB2      ALA   6   3.624  16.109  -0.708
   37    HB3  ALA   6           HB3      ALA   6   3.106  17.581   0.113
   38    HA   PRO   7           HA       PRO   7   4.275  11.969   2.198
   39    HB2  PRO   7           HB2      PRO   7   3.880  11.503   4.810
   40    HB3  PRO   7           HB1      PRO   7   5.410  12.156   4.215
   41    HG2  PRO   7           HG2      PRO   7   3.156  13.540   5.583
   42    HG3  PRO   7           HG1      PRO   7   4.900  13.823   5.723
   43    HD2  PRO   7           HD2      PRO   7   3.130  15.324   4.179
   44    HD3  PRO   7           HD1      PRO   7   4.894  15.300   3.997
   45    H    ASP   8           H        ASP   8   2.187  12.398   0.958
   46    HA   ASP   8           HA       ASP   8  -0.242  12.472   2.544
   47    HB2  ASP   8           HB2      ASP   8   0.201  13.973   0.567
   48    HB3  ASP   8           HB1      ASP   8   0.043  12.553  -0.459
   49    H    ALA   9           H        ALA   9   0.763  10.120   3.059
   50    HA   ALA   9           HA       ALA   9  -0.246   8.109   1.210
   51    HB1  ALA   9           HB1      ALA   9   1.931   7.746   2.198
   52    HB2  ALA   9           HB2      ALA   9   0.801   6.503   2.727
   53    HB3  ALA   9           HB3      ALA   9   1.235   7.824   3.814
   54    HA   PRO  10           HA       PRO  10  -3.978   7.213   3.606
   55    HB2  PRO  10           HB2      PRO  10  -3.442   4.433   2.723
   56    HB3  PRO  10           HB1      PRO  10  -4.893   5.418   2.504
   57    HG2  PRO  10           HG2      PRO  10  -3.268   4.902   0.454
   58    HG3  PRO  10           HG1      PRO  10  -4.039   6.491   0.631
   59    HD2  PRO  10           HD2      PRO  10  -1.234   5.674   1.260
   60    HD3  PRO  10           HD1      PRO  10  -1.820   7.146   0.505
   61    HA   PRO  11           HA       PRO  11  -1.682   6.219   7.305
   62    HB2  PRO  11           HB2      PRO  11  -4.446   5.935   8.374
   63    HB3  PRO  11           HB1      PRO  11  -3.084   6.873   8.998
   64    HG2  PRO  11           HG2      PRO  11  -5.075   8.088   7.744
   65    HG3  PRO  11           HG1      PRO  11  -3.398   8.591   7.469
   66    HD2  PRO  11           HD2      PRO  11  -5.195   6.953   5.731
   67    HD3  PRO  11           HD1      PRO  11  -4.002   8.189   5.280
   68    H    ASP  12           H        ASP  12  -4.506   4.217   6.405
   69    HA   ASP  12           HA       ASP  12  -3.005   1.848   7.141
   70    HB2  ASP  12           HB2      ASP  12  -4.012   2.446   9.276
   71    HB3  ASP  12           HB1      ASP  12  -5.601   2.540   8.525
   72    HA   PRO  13           HA       PRO  13  -5.768   0.331   3.906
   73    HB2  PRO  13           HB2      PRO  13  -3.796  -1.701   3.419
   74    HB3  PRO  13           HB1      PRO  13  -4.216  -0.332   2.388
   75    HG2  PRO  13           HG2      PRO  13  -1.797  -0.620   3.663
   76    HG3  PRO  13           HG1      PRO  13  -2.479   0.936   3.160
   77    HD2  PRO  13           HD2      PRO  13  -2.496  -0.356   5.865
   78    HD3  PRO  13           HD1      PRO  13  -2.225   1.346   5.428
   79    H    THR  14           H        THR  14  -7.377  -0.827   4.779
   80    HA   THR  14           HA       THR  14  -6.734  -2.920   6.733
   81    HB   THR  14           HB       THR  14  -9.473  -1.830   6.118
   82    HG1  THR  14           HG1      THR  14  -7.361  -0.713   7.636
   83   HG21  THR  14          HG21      THR  14  -9.378  -3.893   7.431
   84   HG22  THR  14          HG22      THR  14  -9.951  -2.546   8.415
   85   HG23  THR  14          HG23      THR  14  -8.292  -3.117   8.583
   86    H    VAL  15           H        VAL  15  -7.372  -5.018   6.453
   87    HA   VAL  15           HA       VAL  15  -8.251  -5.733   3.765
   88    HB   VAL  15           HB       VAL  15  -7.051  -7.422   5.965
   89   HG11  VAL  15          HG11      VAL  15  -6.901  -9.199   4.265
   90   HG12  VAL  15          HG12      VAL  15  -7.834  -8.192   3.158
   91   HG13  VAL  15          HG13      VAL  15  -8.568  -8.774   4.651
   92   HG21  VAL  15          HG21      VAL  15  -5.446  -5.904   4.970
   93   HG22  VAL  15          HG22      VAL  15  -5.914  -6.427   3.352
   94   HG23  VAL  15          HG23      VAL  15  -5.113  -7.554   4.445
   95    H    ASP  16           H        ASP  16 -10.242  -6.399   3.373
   96    HA   ASP  16           HA       ASP  16 -11.890  -7.379   5.617
   97    HB2  ASP  16           HB2      ASP  16 -12.392  -5.012   4.669
   98    HB3  ASP  16           HB1      ASP  16 -13.016  -5.866   3.264
   99    H    GLN  17           H        GLN  17 -12.763  -9.332   5.296
  100    HA   GLN  17           HA       GLN  17 -13.358 -11.310   4.363
  101    HB2  GLN  17           HB2      GLN  17 -13.522  -9.617   1.896
  102    HB3  GLN  17           HB1      GLN  17 -13.671 -11.347   1.782
  103    HG2  GLN  17           HG2      GLN  17 -15.851 -10.388   1.861
  104    HG3  GLN  17           HG1      GLN  17 -15.562 -11.260   3.365
  105   HE21  GLN  17          HE21      GLN  17 -15.907  -8.144   1.876
  106   HE22  GLN  17          HE22      GLN  17 -16.092  -7.238   3.341
  107    H    VAL  18           H        VAL  18 -12.318 -13.119   3.721
  108    HA   VAL  18           HA       VAL  18  -9.742 -12.785   2.337
  109    HB   VAL  18           HB       VAL  18 -10.404 -14.969   4.323
  110   HG11  VAL  18          HG11      VAL  18  -8.004 -15.452   4.235
  111   HG12  VAL  18          HG12      VAL  18  -7.797 -14.196   3.014
  112   HG13  VAL  18          HG13      VAL  18  -8.758 -15.629   2.650
  113   HG21  VAL  18          HG21      VAL  18  -8.670 -12.532   4.714
  114   HG22  VAL  18          HG22      VAL  18  -8.919 -13.834   5.877
  115   HG23  VAL  18          HG23      VAL  18 -10.262 -12.784   5.426
  116    H    ASP  19           H        ASP  19 -12.777 -14.363   2.545
  117    HA   ASP  19           HA       ASP  19 -13.905 -15.813   1.205
  118    HB2  ASP  19           HB2      ASP  19 -13.143 -13.871  -0.369
  119    HB3  ASP  19           HB1      ASP  19 -12.035 -15.066  -1.031
  120    H    ASP  20           H        ASP  20 -12.527 -17.099  -1.198
  121    HA   ASP  20           HA       ASP  20 -11.332 -19.319   0.216
  122    HB2  ASP  20           HB2      ASP  20 -12.715 -19.799  -1.716
  123    HB3  ASP  20           HB1      ASP  20 -11.716 -18.770  -2.734
  124    H    THR  21           H        THR  21 -10.250 -17.013  -2.265
  125    HA   THR  21           HA       THR  21  -7.546 -17.085  -1.186
  126    HB   THR  21           HB       THR  21  -6.743 -17.350  -3.664
  127    HG1  THR  21           HG1      THR  21  -9.179 -18.832  -3.762
  128   HG21  THR  21          HG21      THR  21  -6.158 -18.942  -1.927
  129   HG22  THR  21          HG22      THR  21  -6.606 -19.803  -3.399
  130   HG23  THR  21          HG23      THR  21  -7.743 -19.704  -2.055
  131    H    SER  22           H        SER  22  -9.519 -14.987  -1.236
  132    HA   SER  22           HA       SER  22  -8.075 -12.981  -2.750
  133    HB2  SER  22           HB2      SER  22 -10.093 -12.179  -3.946
  134    HB3  SER  22           HB1      SER  22  -9.625 -13.806  -4.443
  135    HG   SER  22           HG       SER  22 -11.452 -13.546  -2.340
  136    H    ILE  23           H        ILE  23  -8.089 -11.064  -1.712
  137    HA   ILE  23           HA       ILE  23 -10.020 -10.731   0.505
  138    HB   ILE  23           HB       ILE  23  -8.400  -9.397   1.680
  139   HG12  ILE  23          HG12      ILE  23  -6.360  -9.900  -0.471
  140   HG13  ILE  23          HG11      ILE  23  -7.430  -8.506  -0.549
  141   HG21  ILE  23          HG21      ILE  23  -8.182 -11.745   2.094
  142   HG22  ILE  23          HG22      ILE  23  -6.568 -11.043   2.029
  143   HG23  ILE  23          HG23      ILE  23  -7.188 -11.955   0.654
  144   HD11  ILE  23          HD11      ILE  23  -5.419  -7.760   0.411
  145   HD12  ILE  23          HD12      ILE  23  -5.352  -9.132   1.521
  146   HD13  ILE  23          HD13      ILE  23  -6.578  -7.883   1.737
  147    H    VAL  24           H        VAL  24 -10.682  -8.528   0.967
  148    HA   VAL  24           HA       VAL  24 -10.380  -6.698  -1.323
  149    HB   VAL  24           HB       VAL  24 -12.440  -6.559   0.892
  150   HG11  VAL  24          HG11      VAL  24 -12.221  -5.049  -1.710
  151   HG12  VAL  24          HG12      VAL  24 -11.924  -4.395  -0.099
  152   HG13  VAL  24          HG13      VAL  24 -13.545  -4.921  -0.552
  153   HG21  VAL  24          HG21      VAL  24 -12.816  -8.534  -0.481
  154   HG22  VAL  24          HG22      VAL  24 -12.749  -7.547  -1.941
  155   HG23  VAL  24          HG23      VAL  24 -14.060  -7.319  -0.783
  156    H    VAL  25           H        VAL  25  -8.656  -5.448  -0.946
  157    HA   VAL  25           HA       VAL  25  -8.142  -4.547   1.792
  158    HB   VAL  25           HB       VAL  25  -6.215  -5.570   0.836
  159   HG11  VAL  25          HG11      VAL  25  -5.165  -4.749  -1.250
  160   HG12  VAL  25          HG12      VAL  25  -6.602  -3.767  -1.538
  161   HG13  VAL  25          HG13      VAL  25  -6.728  -5.527  -1.484
  162   HG21  VAL  25          HG21      VAL  25  -4.562  -3.768   0.830
  163   HG22  VAL  25          HG22      VAL  25  -5.721  -3.601   2.152
  164   HG23  VAL  25          HG23      VAL  25  -5.864  -2.582   0.719
  165    H    ARG  26           H        ARG  26  -8.755  -2.613   2.388
  166    HA   ARG  26           HA       ARG  26  -9.163  -0.531   0.330
  167    HB2  ARG  26           HB2      ARG  26 -10.794  -0.980   2.840
  168    HB3  ARG  26           HB1      ARG  26 -11.051   0.295   1.658
  169    HG2  ARG  26           HG2      ARG  26 -11.629  -1.358  -0.025
  170    HG3  ARG  26           HG1      ARG  26 -11.325  -2.655   1.130
  171    HD2  ARG  26           HD2      ARG  26 -13.712  -2.172   0.934
  172    HD3  ARG  26           HD1      ARG  26 -13.113  -1.828   2.554
  173    HE   ARG  26           HE       ARG  26 -13.116   0.478   0.844
  174   HH11  ARG  26          HH11      ARG  26 -15.062  -1.504   2.960
  175   HH12  ARG  26          HH12      ARG  26 -16.181  -0.234   3.341
  176   HH21  ARG  26          HH21      ARG  26 -14.602   2.162   1.328
  177   HH22  ARG  26          HH22      ARG  26 -15.920   1.850   2.412
  178    H    TRP  27           H        TRP  27  -8.262   1.427   0.745
  179    HA   TRP  27           HA       TRP  27  -7.004   1.737   3.384
  180    HB2  TRP  27           HB2      TRP  27  -5.359   3.258   2.113
  181    HB3  TRP  27           HB1      TRP  27  -5.193   1.517   1.930
  182    HD1  TRP  27           HD1      TRP  27  -6.113   4.661  -0.022
  183    HE1  TRP  27           HE1      TRP  27  -6.170   4.088  -2.529
  184    HE3  TRP  27           HE3      TRP  27  -5.635  -0.418   0.293
  185    HZ2  TRP  27           HZ2      TRP  27  -6.025   1.787  -4.160
  186    HZ3  TRP  27           HZ3      TRP  27  -5.602  -1.733  -1.788
  187    HH2  TRP  27           HH2      TRP  27  -5.794  -0.650  -3.967
  188    H    SER  28           H        SER  28  -7.356   3.502   4.525
  189    HA   SER  28           HA       SER  28  -9.336   5.390   3.558
  190    HB2  SER  28           HB2      SER  28  -7.991   5.150   6.262
  191    HB3  SER  28           HB1      SER  28  -9.368   6.185   5.883
  192    HG   SER  28           HG       SER  28  -9.278   3.481   6.378
  193    H    ARG  29           H        ARG  29  -9.017   7.610   3.413
  194    HA   ARG  29           HA       ARG  29  -6.301   8.401   2.787
  195    HB2  ARG  29           HB2      ARG  29  -8.999   9.686   2.423
  196    HB3  ARG  29           HB1      ARG  29  -7.507  10.564   2.113
  197    HG2  ARG  29           HG2      ARG  29  -8.133   7.939   0.796
  198    HG3  ARG  29           HG1      ARG  29  -8.630   9.492   0.118
  199    HD2  ARG  29           HD2      ARG  29  -5.787   8.755   0.806
  200    HD3  ARG  29           HD1      ARG  29  -6.485   8.636  -0.809
  201    HE   ARG  29           HE       ARG  29  -6.978  11.174  -0.291
  202   HH11  ARG  29          HH11      ARG  29  -4.058   9.352   0.346
  203   HH12  ARG  29          HH12      ARG  29  -3.009  10.720   0.158
  204   HH21  ARG  29          HH21      ARG  29  -5.608  12.969  -0.537
  205   HH22  ARG  29          HH22      ARG  29  -3.883  12.781  -0.347
  206    HA   PRO  30           HA       PRO  30  -5.536  10.630   6.540
  207    HB2  PRO  30           HB2      PRO  30  -3.901  12.600   5.623
  208    HB3  PRO  30           HB1      PRO  30  -3.376  10.926   5.827
  209    HG2  PRO  30           HG2      PRO  30  -4.228  12.355   3.341
  210    HG3  PRO  30           HG1      PRO  30  -2.889  11.217   3.577
  211    HD2  PRO  30           HD2      PRO  30  -5.248  10.492   2.461
  212    HD3  PRO  30           HD1      PRO  30  -4.261   9.379   3.418
  213    H1   MET  31           HT1      MET  31   1.628  20.825 -16.360
  214    H2   MET  31           HT2      MET  31   0.091  21.412 -16.734
  215    H3   MET  31           HT3      MET  31   0.674  21.527 -15.153
  216    HA   MET  31           HA       MET  31   2.445  23.003 -15.921
  217    HB2  MET  31           HB2      MET  31   2.416  22.170 -18.268
  218    HB3  MET  31           HB1      MET  31   0.875  22.980 -18.506
  219    HG2  MET  31           HG2      MET  31   1.955  25.135 -18.033
  220    HG3  MET  31           HG1      MET  31   3.499  24.303 -17.860
  221    HE1  MET  31           HE1      MET  31   4.645  25.847 -19.622
  222    HE2  MET  31           HE2      MET  31   3.147  26.756 -19.822
  223    HE3  MET  31           HE3      MET  31   4.010  26.156 -21.238
  224    H    ARG  32           H        ARG  32  -1.006  22.805 -16.214
  225    HA   ARG  32           HA       ARG  32  -1.393  25.666 -15.978
  226    HB2  ARG  32           HB2      ARG  32  -2.903  24.156 -17.316
  227    HB3  ARG  32           HB1      ARG  32  -3.448  23.455 -15.800
  228    HG2  ARG  32           HG2      ARG  32  -4.175  25.753 -15.110
  229    HG3  ARG  32           HG1      ARG  32  -3.823  26.281 -16.757
  230    HD2  ARG  32           HD2      ARG  32  -6.183  25.767 -16.520
  231    HD3  ARG  32           HD1      ARG  32  -5.411  24.619 -17.616
  232    HE   ARG  32           HE       ARG  32  -5.476  23.684 -14.912
  233   HH11  ARG  32          HH11      ARG  32  -7.378  23.972 -17.832
  234   HH12  ARG  32          HH12      ARG  32  -8.388  22.609 -17.458
  235   HH21  ARG  32          HH21      ARG  32  -6.789  21.903 -14.414
  236   HH22  ARG  32          HH22      ARG  32  -8.052  21.436 -15.508
  237    H    GLY  33           H        GLY  33   0.032  25.389 -13.924
  238    HA2  GLY  33           HA2      GLY  33  -1.804  25.039 -11.632
  239    HA3  GLY  33           HA1      GLY  33  -0.136  24.486 -11.582
  240    H    SER  34           H        SER  34  -1.014  27.457 -13.160
  241    HA   SER  34           HA       SER  34   0.703  28.936 -11.377
  242    HB2  SER  34           HB2      SER  34   0.588  29.346 -13.864
  243    HB3  SER  34           HB1      SER  34  -1.027  30.008 -13.621
  244    HG   SER  34           HG       SER  34   1.005  31.039 -12.020
  245    H    ASN  35           H        ASN  35  -2.699  29.289 -12.409
  246    HA   ASN  35           HA       ASN  35  -3.248  30.549  -9.820
  247    HB2  ASN  35           HB2      ASN  35  -5.401  31.278 -10.840
  248    HB3  ASN  35           HB1      ASN  35  -3.987  31.912 -11.671
  249   HD21  ASN  35          HD21      ASN  35  -3.528  31.223 -13.747
  250   HD22  ASN  35          HD22      ASN  35  -4.675  30.351 -14.709
  251    H    ALA  36           H        ALA  36  -4.208  29.448  -8.300
  252    HA   ALA  36           HA       ALA  36  -5.229  27.779  -7.155
  253    HB1  ALA  36           HB1      ALA  36  -7.398  27.038  -7.988
  254    HB2  ALA  36           HB2      ALA  36  -7.028  27.717  -9.573
  255    HB3  ALA  36           HB3      ALA  36  -7.203  28.781  -8.178
  256    HA   PRO  37           HA       PRO  37  -3.047  24.412  -9.521
  257    HB2  PRO  37           HB2      PRO  37  -1.648  24.016  -6.978
  258    HB3  PRO  37           HB1      PRO  37  -0.979  24.299  -8.586
  259    HG2  PRO  37           HG2      PRO  37  -0.852  26.151  -6.625
  260    HG3  PRO  37           HG1      PRO  37  -1.003  26.588  -8.336
  261    HD2  PRO  37           HD2      PRO  37  -3.111  26.502  -6.209
  262    HD3  PRO  37           HD1      PRO  37  -2.846  27.709  -7.486
  263    H    GLN  38           H        GLN  38  -3.108  22.117  -9.060
  264    HA   GLN  38           HA       GLN  38  -5.395  21.389  -7.464
  265    HB2  GLN  38           HB2      GLN  38  -4.884  19.062  -8.315
  266    HB3  GLN  38           HB1      GLN  38  -5.256  20.259  -9.544
  267    HG2  GLN  38           HG2      GLN  38  -2.932  20.462 -10.123
  268    HG3  GLN  38           HG1      GLN  38  -2.470  19.405  -8.789
  269   HE21  GLN  38          HE21      GLN  38  -1.447  17.982 -10.191
  270   HE22  GLN  38          HE22      GLN  38  -2.329  16.912 -11.223
  271    HA   PRO  39           HA       PRO  39  -2.882  20.752  -3.860
  272    HB2  PRO  39           HB2      PRO  39  -4.860  19.781  -2.265
  273    HB3  PRO  39           HB1      PRO  39  -4.663  21.497  -2.631
  274    HG2  PRO  39           HG2      PRO  39  -6.532  19.504  -3.842
  275    HG3  PRO  39           HG1      PRO  39  -6.838  21.186  -3.374
  276    HD2  PRO  39           HD2      PRO  39  -6.394  20.448  -5.939
  277    HD3  PRO  39           HD1      PRO  39  -5.897  22.027  -5.300
  278    H    SER  40           H        SER  40  -2.936  18.861  -2.081
  279    HA   SER  40           HA       SER  40  -1.612  16.748  -3.223
  280    HB2  SER  40           HB2      SER  40  -3.073  16.805  -0.578
  281    HB3  SER  40           HB1      SER  40  -1.840  15.629  -1.035
  282    HG   SER  40           HG       SER  40  -0.973  17.362   0.188
  283    H    HIS  41           H        HIS  41  -2.240  15.240  -4.517
  284    HA   HIS  41           HA       HIS  41  -4.566  13.603  -3.872
  285    HB2  HIS  41           HB2      HIS  41  -4.087  14.937  -6.540
  286    HB3  HIS  41           HB1      HIS  41  -5.073  13.491  -6.380
  287    HD1  HIS  41           HD1      HIS  41  -5.073  17.158  -5.708
  288    HD2  HIS  41           HD2      HIS  41  -7.581  13.884  -5.171
  289    HE1  HIS  41           HE1      HIS  41  -7.332  18.117  -5.153
  290    HE2  HIS  41           HE2      HIS  41  -8.859  16.122  -4.963
  291    H    ILE  42           H        ILE  42  -4.456  11.498  -4.999
  292    HA   ILE  42           HA       ILE  42  -1.663  10.758  -5.520
  293    HB   ILE  42           HB       ILE  42  -3.959   9.248  -4.342
  294   HG12  ILE  42          HG12      ILE  42  -2.202   8.473  -2.789
  295   HG13  ILE  42          HG11      ILE  42  -1.002   9.369  -3.711
  296   HG21  ILE  42          HG21      ILE  42  -2.816   7.114  -4.707
  297   HG22  ILE  42          HG22      ILE  42  -1.620   7.931  -5.715
  298   HG23  ILE  42          HG23      ILE  42  -3.305   7.859  -6.229
  299   HD11  ILE  42          HD11      ILE  42  -2.112  11.455  -3.122
  300   HD12  ILE  42          HD12      ILE  42  -1.630  10.545  -1.690
  301   HD13  ILE  42          HD13      ILE  42  -3.317  10.554  -2.204
  302    H    SER  43           H        SER  43  -1.062  10.021  -7.407
  303    HA   SER  43           HA       SER  43  -2.875  10.161  -9.625
  304    HB2  SER  43           HB2      SER  43   0.046   9.384  -9.452
  305    HB3  SER  43           HB1      SER  43  -0.838   9.678 -10.953
  306    HG   SER  43           HG       SER  43  -1.289  11.828  -9.968
  307    H    LYS  44           H        LYS  44  -1.074   7.614  -7.936
  308    HA   LYS  44           HA       LYS  44  -2.992   5.643  -8.759
  309    HB2  LYS  44           HB2      LYS  44  -1.348   4.144  -9.853
  310    HB3  LYS  44           HB1      LYS  44  -1.617   5.628 -10.755
  311    HG2  LYS  44           HG2      LYS  44   0.469   6.545  -9.832
  312    HG3  LYS  44           HG1      LYS  44   0.740   5.023  -8.979
  313    HD2  LYS  44           HD2      LYS  44   0.845   3.835 -11.104
  314    HD3  LYS  44           HD1      LYS  44   0.519   5.336 -11.973
  315    HE2  LYS  44           HE2      LYS  44   2.589   6.293 -11.162
  316    HE3  LYS  44           HE1      LYS  44   2.900   4.860 -10.187
  317    HZ1  LYS  44           HZ1      LYS  44   2.750   4.912 -13.151
  318    HZ2  LYS  44           HZ2      LYS  44   3.095   3.560 -12.198
  319    HZ3  LYS  44           HZ3      LYS  44   4.174   4.857 -12.242
  320    H    TYR  45           H        TYR  45  -2.980   3.848  -7.453
  321    HA   TYR  45           HA       TYR  45  -1.065   3.875  -5.216
  322    HB2  TYR  45           HB2      TYR  45  -3.754   2.507  -5.482
  323    HB3  TYR  45           HB1      TYR  45  -2.705   2.392  -4.078
  324    HD1  TYR  45           HD1      TYR  45  -2.194   4.567  -2.813
  325    HD2  TYR  45           HD2      TYR  45  -5.343   4.203  -5.647
  326    HE1  TYR  45           HE1      TYR  45  -3.312   6.514  -1.811
  327    HE2  TYR  45           HE2      TYR  45  -6.469   6.152  -4.656
  328    HH   TYR  45           HH       TYR  45  -6.542   7.424  -2.651
  329    H    ILE  46           H        ILE  46   0.447   2.301  -5.134
  330    HA   ILE  46           HA       ILE  46   0.028  -0.043  -6.867
  331    HB   ILE  46           HB       ILE  46   2.587   1.226  -5.900
  332   HG12  ILE  46          HG12      ILE  46   3.119   1.067  -8.375
  333   HG13  ILE  46          HG11      ILE  46   1.445   0.588  -8.625
  334   HG21  ILE  46          HG21      ILE  46   2.766  -1.193  -5.555
  335   HG22  ILE  46          HG22      ILE  46   3.824  -0.638  -6.854
  336   HG23  ILE  46          HG23      ILE  46   2.313  -1.461  -7.239
  337   HD11  ILE  46          HD11      ILE  46   0.710   2.728  -7.695
  338   HD12  ILE  46          HD12      ILE  46   1.753   2.935  -9.102
  339   HD13  ILE  46          HD13      ILE  46   2.395   3.201  -7.482
  340    H    LEU  47           H        LEU  47  -0.560  -1.803  -5.898
  341    HA   LEU  47           HA       LEU  47  -0.087  -2.145  -3.028
  342    HB2  LEU  47           HB2      LEU  47  -2.364  -2.435  -4.339
  343    HB3  LEU  47           HB1      LEU  47  -1.706  -4.000  -4.750
  344    HG   LEU  47           HG       LEU  47  -3.230  -4.224  -2.904
  345   HD11  LEU  47          HD11      LEU  47  -1.377  -5.734  -2.822
  346   HD12  LEU  47          HD12      LEU  47  -1.768  -5.219  -1.181
  347   HD13  LEU  47          HD13      LEU  47  -0.372  -4.532  -2.012
  348   HD21  LEU  47          HD21      LEU  47  -3.137  -1.959  -2.046
  349   HD22  LEU  47          HD22      LEU  47  -1.504  -2.236  -1.440
  350   HD23  LEU  47          HD23      LEU  47  -2.864  -3.131  -0.758
  351    H    ARG  48           H        ARG  48   1.711  -3.221  -2.508
  352    HA   ARG  48           HA       ARG  48   2.528  -5.457  -4.246
  353    HB2  ARG  48           HB2      ARG  48   4.172  -3.556  -2.598
  354    HB3  ARG  48           HB1      ARG  48   4.804  -5.124  -3.077
  355    HG2  ARG  48           HG2      ARG  48   4.406  -4.512  -5.432
  356    HG3  ARG  48           HG1      ARG  48   3.889  -2.911  -4.895
  357    HD2  ARG  48           HD2      ARG  48   6.076  -2.525  -3.901
  358    HD3  ARG  48           HD1      ARG  48   6.593  -4.142  -4.380
  359    HE   ARG  48           HE       ARG  48   5.709  -2.735  -6.642
  360   HH11  ARG  48          HH11      ARG  48   8.350  -2.725  -4.353
  361   HH12  ARG  48          HH12      ARG  48   9.509  -2.128  -5.495
  362   HH21  ARG  48          HH21      ARG  48   7.211  -1.969  -8.157
  363   HH22  ARG  48          HH22      ARG  48   8.855  -1.672  -7.667
  364    H    TRP  49           H        TRP  49   2.786  -7.445  -3.368
  365    HA   TRP  49           HA       TRP  49   2.795  -7.700  -0.466
  366    HB2  TRP  49           HB2      TRP  49   1.044  -9.389  -0.451
  367    HB3  TRP  49           HB1      TRP  49   0.428  -7.877  -1.104
  368    HD1  TRP  49           HD1      TRP  49   0.849 -11.515  -1.926
  369    HE1  TRP  49           HE1      TRP  49  -0.151 -12.000  -4.247
  370    HE3  TRP  49           HE3      TRP  49   0.141  -6.715  -3.531
  371    HZ2  TRP  49           HZ2      TRP  49  -1.104 -10.546  -6.463
  372    HZ3  TRP  49           HZ3      TRP  49  -0.826  -6.349  -5.759
  373    HH2  TRP  49           HH2      TRP  49  -1.435  -8.223  -7.197
  374    H    ARG  50           H        ARG  50   3.740  -9.553   0.317
  375    HA   ARG  50           HA       ARG  50   4.997 -11.364  -1.624
  376    HB2  ARG  50           HB2      ARG  50   6.488  -9.384  -0.958
  377    HB3  ARG  50           HB1      ARG  50   6.526 -10.088   0.646
  378    HG2  ARG  50           HG2      ARG  50   7.397 -11.617  -1.783
  379    HG3  ARG  50           HG1      ARG  50   8.488 -10.551  -0.902
  380    HD2  ARG  50           HD2      ARG  50   7.057 -12.973   0.177
  381    HD3  ARG  50           HD1      ARG  50   8.781 -12.827  -0.154
  382    HE   ARG  50           HE       ARG  50   7.672 -10.954   1.774
  383   HH11  ARG  50          HH11      ARG  50   9.374 -13.960   1.226
  384   HH12  ARG  50          HH12      ARG  50  10.020 -14.034   2.831
  385   HH21  ARG  50          HH21      ARG  50   8.491 -11.055   3.898
  386   HH22  ARG  50          HH22      ARG  50   9.534 -12.379   4.344
  387    HA   PRO  51           HA       PRO  51   3.571 -14.280   1.476
  388    HB2  PRO  51           HB2      PRO  51   4.968 -16.442   0.538
  389    HB3  PRO  51           HB1      PRO  51   3.438 -15.889  -0.147
  390    HG2  PRO  51           HG2      PRO  51   6.230 -15.391  -1.099
  391    HG3  PRO  51           HG1      PRO  51   4.775 -15.770  -2.039
  392    HD2  PRO  51           HD2      PRO  51   5.735 -13.260  -1.843
  393    HD3  PRO  51           HD1      PRO  51   3.995 -13.594  -1.946
  394    H    LYS  52           H        LYS  52   4.352 -14.154   3.437
  395    HA   LYS  52           HA       LYS  52   6.975 -13.368   4.078
  396    HB2  LYS  52           HB2      LYS  52   4.598 -13.294   5.325
  397    HB3  LYS  52           HB1      LYS  52   5.277 -14.698   6.125
  398    HG2  LYS  52           HG2      LYS  52   6.662 -12.034   6.009
  399    HG3  LYS  52           HG1      LYS  52   5.569 -12.513   7.308
  400    HD2  LYS  52           HD2      LYS  52   7.035 -14.469   7.744
  401    HD3  LYS  52           HD1      LYS  52   8.153 -13.854   6.526
  402    HE2  LYS  52           HE2      LYS  52   7.312 -12.399   9.032
  403    HE3  LYS  52           HE1      LYS  52   8.837 -13.251   8.809
  404    HZ1  LYS  52           HZ1      LYS  52   9.110 -10.890   8.470
  405    HZ2  LYS  52           HZ2      LYS  52   7.924 -10.878   7.265
  406    HZ3  LYS  52           HZ3      LYS  52   9.379 -11.710   7.018
  407    H    ASN  53           H        ASN  53   5.380 -16.504   4.095
  408    HA   ASN  53           HA       ASN  53   7.681 -17.770   5.344
  409    HB2  ASN  53           HB2      ASN  53   6.245 -19.816   5.312
  410    HB3  ASN  53           HB1      ASN  53   5.546 -18.462   6.193
  411   HD21  ASN  53          HD21      ASN  53   5.389 -20.377   3.290
  412   HD22  ASN  53          HD22      ASN  53   3.793 -19.903   2.826
  413    H    SER  54           H        SER  54   7.149 -16.845   2.316
  414    HA   SER  54           HA       SER  54   8.469 -19.224   1.205
  415    HB2  SER  54           HB2      SER  54   6.470 -17.479  -0.250
  416    HB3  SER  54           HB1      SER  54   7.266 -18.915  -0.890
  417    HG   SER  54           HG       SER  54   6.240 -19.985   1.034
  418    H    VAL  55           H        VAL  55   9.936 -18.839  -0.530
  419    HA   VAL  55           HA       VAL  55  11.382 -16.355  -0.247
  420    HB   VAL  55           HB       VAL  55  12.986 -17.390  -1.858
  421   HG11  VAL  55          HG11      VAL  55  13.776 -19.129  -0.333
  422   HG12  VAL  55          HG12      VAL  55  12.215 -19.127   0.487
  423   HG13  VAL  55          HG13      VAL  55  13.249 -17.699   0.554
  424   HG21  VAL  55          HG21      VAL  55  12.692 -19.714  -2.514
  425   HG22  VAL  55          HG22      VAL  55  11.347 -18.736  -3.105
  426   HG23  VAL  55          HG23      VAL  55  11.133 -19.767  -1.692
  427    H    GLY  56           H        GLY  56   8.783 -16.090  -1.409
  428    HA2  GLY  56           HA2      GLY  56   9.089 -15.791  -4.264
  429    HA3  GLY  56           HA1      GLY  56   7.658 -15.408  -3.322
  430    H    ARG  57           H        ARG  57   7.959 -13.622  -5.077
  431    HA   ARG  57           HA       ARG  57   9.649 -11.459  -4.012
  432    HB2  ARG  57           HB2      ARG  57   8.494 -11.871  -6.774
  433    HB3  ARG  57           HB1      ARG  57   9.311 -10.404  -6.270
  434    HG2  ARG  57           HG2      ARG  57  10.923 -11.604  -7.440
  435    HG3  ARG  57           HG1      ARG  57  11.307 -11.899  -5.745
  436    HD2  ARG  57           HD2      ARG  57  10.191 -14.057  -5.852
  437    HD3  ARG  57           HD1      ARG  57   9.736 -13.755  -7.528
  438    HE   ARG  57           HE       ARG  57  12.556 -13.575  -7.132
  439   HH11  ARG  57          HH11      ARG  57   9.921 -15.843  -7.539
  440   HH12  ARG  57          HH12      ARG  57  10.921 -17.076  -8.241
  441   HH21  ARG  57          HH21      ARG  57  13.881 -15.205  -8.039
  442   HH22  ARG  57          HH22      ARG  57  13.175 -16.716  -8.511
  443    H    TRP  58           H        TRP  58   8.609  -9.227  -4.731
  444    HA   TRP  58           HA       TRP  58   5.992  -9.158  -3.451
  445    HB2  TRP  58           HB2      TRP  58   7.828  -6.920  -4.349
  446    HB3  TRP  58           HB1      TRP  58   6.315  -6.695  -3.479
  447    HD1  TRP  58           HD1      TRP  58   9.795  -8.308  -2.936
  448    HE1  TRP  58           HE1      TRP  58  10.344  -8.191  -0.426
  449    HE3  TRP  58           HE3      TRP  58   5.385  -6.358  -1.237
  450    HZ2  TRP  58           HZ2      TRP  58   9.073  -7.379   1.960
  451    HZ3  TRP  58           HZ3      TRP  58   5.132  -5.944   1.174
  452    HH2  TRP  58           HH2      TRP  58   6.939  -6.445   2.739
  453    H    LYS  59           H        LYS  59   4.247  -9.359  -4.695
  454    HA   LYS  59           HA       LYS  59   4.381  -8.891  -7.539
  455    HB2  LYS  59           HB2      LYS  59   1.940  -9.491  -5.861
  456    HB3  LYS  59           HB1      LYS  59   2.094  -9.669  -7.603
  457    HG2  LYS  59           HG2      LYS  59   3.853 -11.395  -7.190
  458    HG3  LYS  59           HG1      LYS  59   3.456 -11.297  -5.474
  459    HD2  LYS  59           HD2      LYS  59   1.099 -11.859  -6.059
  460    HD3  LYS  59           HD1      LYS  59   1.625 -12.118  -7.723
  461    HE2  LYS  59           HE2      LYS  59   3.253 -13.808  -6.846
  462    HE3  LYS  59           HE1      LYS  59   2.485 -13.632  -5.269
  463    HZ1  LYS  59           HZ1      LYS  59   1.149 -14.525  -7.759
  464    HZ2  LYS  59           HZ2      LYS  59   0.391 -14.334  -6.262
  465    HZ3  LYS  59           HZ3      LYS  59   1.584 -15.515  -6.461
  466    H    GLU  60           H        GLU  60   2.881  -7.425  -8.670
  467    HA   GLU  60           HA       GLU  60   2.416  -5.001  -7.065
  468    HB2  GLU  60           HB2      GLU  60   3.465  -5.155  -9.891
  469    HB3  GLU  60           HB1      GLU  60   3.063  -3.671  -9.040
  470    HG2  GLU  60           HG2      GLU  60   4.791  -4.210  -7.364
  471    HG3  GLU  60           HG1      GLU  60   5.232  -5.626  -8.317
  472    H    ALA  61           H        ALA  61   0.409  -4.309  -7.088
  473    HA   ALA  61           HA       ALA  61  -1.180  -4.673  -9.546
  474    HB1  ALA  61           HB1      ALA  61  -2.105  -5.986  -7.693
  475    HB2  ALA  61           HB2      ALA  61  -3.193  -4.682  -8.164
  476    HB3  ALA  61           HB3      ALA  61  -2.209  -4.524  -6.711
  477    H    THR  62           H        THR  62  -1.821  -2.822 -10.501
  478    HA   THR  62           HA       THR  62  -1.232  -0.325  -9.074
  479    HB   THR  62           HB       THR  62  -1.709  -0.696 -12.037
  480    HG1  THR  62           HG1      THR  62   0.178  -1.822 -11.253
  481   HG21  THR  62          HG21      THR  62  -0.632   1.491 -12.229
  482   HG22  THR  62          HG22      THR  62  -0.454   1.569 -10.476
  483   HG23  THR  62          HG23      THR  62  -2.062   1.590 -11.201
  484    H    ILE  63           H        ILE  63  -2.881   0.706  -8.204
  485    HA   ILE  63           HA       ILE  63  -5.567   0.374  -9.379
  486    HB   ILE  63           HB       ILE  63  -4.842   1.182  -6.550
  487   HG12  ILE  63          HG12      ILE  63  -6.131  -1.079  -6.133
  488   HG13  ILE  63          HG11      ILE  63  -5.598  -1.445  -7.768
  489   HG21  ILE  63          HG21      ILE  63  -6.928   2.188  -7.302
  490   HG22  ILE  63          HG22      ILE  63  -7.229   0.955  -6.076
  491   HG23  ILE  63          HG23      ILE  63  -7.532   0.600  -7.776
  492   HD11  ILE  63          HD11      ILE  63  -3.818  -0.754  -5.441
  493   HD12  ILE  63          HD12      ILE  63  -3.278  -1.113  -7.082
  494   HD13  ILE  63          HD13      ILE  63  -4.074  -2.361  -6.122
  495    HA   PRO  64           HA       PRO  64  -5.393   4.722 -10.597
  496    HB2  PRO  64           HB2      PRO  64  -8.333   4.322 -10.280
  497    HB3  PRO  64           HB1      PRO  64  -7.438   5.059 -11.614
  498    HG2  PRO  64           HG2      PRO  64  -8.438   2.598 -11.839
  499    HG3  PRO  64           HG1      PRO  64  -6.860   3.010 -12.532
  500    HD2  PRO  64           HD2      PRO  64  -7.499   1.432 -10.092
  501    HD3  PRO  64           HD1      PRO  64  -6.151   1.259 -11.231
  502    H    GLY  65           H        GLY  65  -5.554   6.637  -9.462
  503    HA2  GLY  65           HA2      GLY  65  -5.651   6.302  -6.612
  504    HA3  GLY  65           HA1      GLY  65  -5.254   7.775  -7.476
  505    H    HIS  66           H        HIS  66  -8.188   5.766  -7.395
  506    HA   HIS  66           HA       HIS  66  -9.670   7.622  -5.835
  507    HB2  HIS  66           HB2      HIS  66 -11.339   8.166  -7.700
  508    HB3  HIS  66           HB1      HIS  66  -9.815   9.042  -7.703
  509    HD1  HIS  66           HD1      HIS  66  -8.624   9.101  -9.865
  510    HD2  HIS  66           HD2      HIS  66 -11.284   5.910  -9.645
  511    HE1  HIS  66           HE1      HIS  66  -8.567   8.014 -12.130
  512    HE2  HIS  66           HE2      HIS  66 -10.117   6.036 -11.952
  513    H    LEU  67           H        LEU  67  -9.069   4.730  -6.199
  514    HA   LEU  67           HA       LEU  67 -11.855   3.771  -6.271
  515    HB2  LEU  67           HB2      LEU  67  -9.325   2.194  -6.764
  516    HB3  LEU  67           HB1      LEU  67 -10.943   1.525  -6.739
  517    HG   LEU  67           HG       LEU  67  -9.810   3.452  -8.762
  518   HD11  LEU  67          HD11      LEU  67 -10.161   1.657 -10.331
  519   HD12  LEU  67          HD12      LEU  67 -10.846   0.644  -9.062
  520   HD13  LEU  67          HD13      LEU  67  -9.145   1.100  -9.003
  521   HD21  LEU  67          HD21      LEU  67 -11.984   3.261  -9.893
  522   HD22  LEU  67          HD22      LEU  67 -12.108   4.062  -8.329
  523   HD23  LEU  67          HD23      LEU  67 -12.615   2.382  -8.501
  524    H    ASN  68           H        ASN  68  -8.714   3.301  -4.751
  525    HA   ASN  68           HA       ASN  68  -8.065   3.107  -2.601
  526    HB2  ASN  68           HB2      ASN  68 -10.862   4.121  -2.099
  527    HB3  ASN  68           HB1      ASN  68  -9.661   3.905  -0.829
  528   HD21  ASN  68          HD21      ASN  68  -9.722   6.123  -0.376
  529   HD22  ASN  68          HD22      ASN  68  -8.953   7.279  -1.408
  530    H    SER  69           H        SER  69  -9.470   0.900  -4.028
  531    HA   SER  69           HA       SER  69  -9.560  -0.949  -1.844
  532    HB2  SER  69           HB2      SER  69 -11.918  -1.725  -2.565
  533    HB3  SER  69           HB1      SER  69 -11.807  -0.273  -1.570
  534    HG   SER  69           HG       SER  69 -11.823   0.901  -3.637
  535    H    TYR  70           H        TYR  70  -8.952  -2.939  -2.547
  536    HA   TYR  70           HA       TYR  70  -9.243  -3.582  -5.381
  537    HB2  TYR  70           HB2      TYR  70  -7.034  -2.516  -5.185
  538    HB3  TYR  70           HB1      TYR  70  -6.580  -3.667  -3.934
  539    HD1  TYR  70           HD1      TYR  70  -7.645  -3.482  -7.502
  540    HD2  TYR  70           HD2      TYR  70  -5.551  -5.665  -4.517
  541    HE1  TYR  70           HE1      TYR  70  -6.808  -5.022  -9.227
  542    HE2  TYR  70           HE2      TYR  70  -4.708  -7.212  -6.231
  543    HH   TYR  70           HH       TYR  70  -4.859  -6.583  -9.525
  544    H    THR  71           H        THR  71  -9.570  -5.711  -5.766
  545    HA   THR  71           HA       THR  71  -9.577  -7.512  -3.466
  546    HB   THR  71           HB       THR  71 -10.661  -7.933  -6.262
  547    HG1  THR  71           HG1      THR  71 -12.289  -7.749  -3.982
  548   HG21  THR  71          HG21      THR  71 -11.783  -9.893  -5.312
  549   HG22  THR  71          HG22      THR  71 -10.995  -9.598  -3.763
  550   HG23  THR  71          HG23      THR  71 -10.031 -10.040  -5.172
  551    H    ILE  72           H        ILE  72  -7.583  -8.306  -3.119
  552    HA   ILE  72           HA       ILE  72  -5.791  -8.947  -5.294
  553    HB   ILE  72           HB       ILE  72  -5.457  -9.727  -2.396
  554   HG12  ILE  72          HG12      ILE  72  -4.500  -7.195  -3.751
  555   HG13  ILE  72          HG11      ILE  72  -5.811  -7.281  -2.577
  556   HG21  ILE  72          HG21      ILE  72  -3.992 -10.871  -3.960
  557   HG22  ILE  72          HG22      ILE  72  -3.071  -9.742  -2.966
  558   HG23  ILE  72          HG23      ILE  72  -3.473  -9.325  -4.631
  559   HD11  ILE  72          HD11      ILE  72  -2.884  -7.759  -2.136
  560   HD12  ILE  72          HD12      ILE  72  -4.112  -8.255  -0.975
  561   HD13  ILE  72          HD13      ILE  72  -3.925  -6.544  -1.383
  562    H    LYS  73           H        LYS  73  -5.854 -10.805  -6.384
  563    HA   LYS  73           HA       LYS  73  -7.131 -13.116  -5.091
  564    HB2  LYS  73           HB2      LYS  73  -6.773 -12.504  -8.029
  565    HB3  LYS  73           HB1      LYS  73  -7.467 -13.989  -7.395
  566    HG2  LYS  73           HG2      LYS  73  -9.243 -12.635  -6.313
  567    HG3  LYS  73           HG1      LYS  73  -8.580 -11.208  -7.111
  568    HD2  LYS  73           HD2      LYS  73  -8.976 -12.249  -9.291
  569    HD3  LYS  73           HD1      LYS  73  -9.645 -13.672  -8.489
  570    HE2  LYS  73           HE2      LYS  73 -11.389 -12.243  -7.486
  571    HE3  LYS  73           HE1      LYS  73 -10.742 -10.865  -8.374
  572    HZ1  LYS  73           HZ1      LYS  73 -11.218 -12.065 -10.445
  573    HZ2  LYS  73           HZ2      LYS  73 -12.615 -11.786  -9.536
  574    HZ3  LYS  73           HZ3      LYS  73 -11.915 -13.324  -9.553
  575    H    GLY  74           H        GLY  74  -6.223 -15.239  -5.628
  576    HA2  GLY  74           HA2      GLY  74  -4.451 -16.689  -6.027
  577    HA3  GLY  74           HA1      GLY  74  -3.474 -15.316  -6.532
  578    H    LEU  75           H        LEU  75  -5.139 -15.072  -3.533
  579    HA   LEU  75           HA       LEU  75  -2.605 -15.187  -2.098
  580    HB2  LEU  75           HB2      LEU  75  -5.386 -14.381  -1.242
  581    HB3  LEU  75           HB1      LEU  75  -4.007 -14.411  -0.162
  582    HG   LEU  75           HG       LEU  75  -4.277 -12.642  -2.603
  583   HD11  LEU  75          HD11      LEU  75  -4.524 -12.080   0.338
  584   HD12  LEU  75          HD12      LEU  75  -5.778 -11.928  -0.892
  585   HD13  LEU  75          HD13      LEU  75  -4.389 -10.843  -0.910
  586   HD21  LEU  75          HD21      LEU  75  -1.956 -13.215  -2.194
  587   HD22  LEU  75          HD22      LEU  75  -2.133 -12.800  -0.489
  588   HD23  LEU  75          HD23      LEU  75  -2.261 -11.543  -1.719
  589    H    LYS  76           H        LYS  76  -1.972 -16.937  -1.021
  590    HA   LYS  76           HA       LYS  76  -3.712 -19.253  -1.067
  591    HB2  LYS  76           HB2      LYS  76  -0.838 -18.946  -0.192
  592    HB3  LYS  76           HB1      LYS  76  -1.694 -20.474  -0.345
  593    HG2  LYS  76           HG2      LYS  76  -1.924 -20.157  -2.725
  594    HG3  LYS  76           HG1      LYS  76  -1.197 -18.553  -2.610
  595    HD2  LYS  76           HD2      LYS  76   0.412 -20.216  -3.412
  596    HD3  LYS  76           HD1      LYS  76   0.899 -19.545  -1.855
  597    HE2  LYS  76           HE2      LYS  76   0.041 -21.512  -0.715
  598    HE3  LYS  76           HE1      LYS  76  -0.524 -22.174  -2.248
  599    HZ1  LYS  76           HZ1      LYS  76   1.762 -22.282  -3.003
  600    HZ2  LYS  76           HZ2      LYS  76   1.575 -23.157  -1.568
  601    HZ3  LYS  76           HZ3      LYS  76   2.308 -21.636  -1.540
  602    HA   PRO  77           HA       PRO  77  -5.015 -18.764   3.162
  603    HB2  PRO  77           HB2      PRO  77  -6.049 -21.271   3.476
  604    HB3  PRO  77           HB1      PRO  77  -6.891 -19.968   2.632
  605    HG2  PRO  77           HG2      PRO  77  -5.308 -22.243   1.507
  606    HG3  PRO  77           HG1      PRO  77  -6.844 -21.559   0.943
  607    HD2  PRO  77           HD2      PRO  77  -4.484 -20.981  -0.237
  608    HD3  PRO  77           HD1      PRO  77  -5.811 -19.807  -0.142
  609    H    GLY  78           H        GLY  78  -3.906 -18.985   4.994
  610    HA2  GLY  78           HA2      GLY  78  -2.678 -20.134   6.646
  611    HA3  GLY  78           HA1      GLY  78  -2.293 -21.378   5.465
  612    H    VAL  79           H        VAL  79  -1.715 -18.879   3.662
  613    HA   VAL  79           HA       VAL  79   1.109 -18.758   4.395
  614    HB   VAL  79           HB       VAL  79  -0.317 -17.824   1.892
  615   HG11  VAL  79          HG11      VAL  79   2.630 -17.901   2.526
  616   HG12  VAL  79          HG12      VAL  79   1.647 -16.453   2.294
  617   HG13  VAL  79          HG13      VAL  79   1.932 -17.554   0.944
  618   HG21  VAL  79          HG21      VAL  79   1.456 -20.195   2.428
  619   HG22  VAL  79          HG22      VAL  79   0.909 -19.689   0.831
  620   HG23  VAL  79          HG23      VAL  79  -0.264 -20.228   2.036
  621    H    VAL  80           H        VAL  80   1.985 -17.039   5.310
  622    HA   VAL  80           HA       VAL  80   0.356 -14.741   5.935
  623    HB   VAL  80           HB       VAL  80   3.293 -15.222   6.489
  624   HG11  VAL  80          HG11      VAL  80   2.681 -12.860   6.590
  625   HG12  VAL  80          HG12      VAL  80   3.064 -13.492   8.190
  626   HG13  VAL  80          HG13      VAL  80   1.382 -13.240   7.720
  627   HG21  VAL  80          HG21      VAL  80   0.885 -15.709   8.237
  628   HG22  VAL  80          HG22      VAL  80   2.566 -15.842   8.752
  629   HG23  VAL  80          HG23      VAL  80   1.930 -16.939   7.527
  630    H    TYR  81           H        TYR  81   0.379 -12.807   4.891
  631    HA   TYR  81           HA       TYR  81   2.430 -12.437   2.815
  632    HB2  TYR  81           HB2      TYR  81  -0.495 -11.716   2.781
  633    HB3  TYR  81           HB1      TYR  81   0.662 -11.002   1.666
  634    HD1  TYR  81           HD1      TYR  81   1.764 -12.400  -0.035
  635    HD2  TYR  81           HD2      TYR  81  -1.276 -13.967   2.495
  636    HE1  TYR  81           HE1      TYR  81   1.471 -14.295  -1.572
  637    HE2  TYR  81           HE2      TYR  81  -1.576 -15.871   0.966
  638    HH   TYR  81           HH       TYR  81   0.626 -16.559  -1.565
  639    H    GLU  82           H        GLU  82   3.528 -10.593   2.783
  640    HA   GLU  82           HA       GLU  82   2.812  -8.502   4.723
  641    HB2  GLU  82           HB2      GLU  82   5.394  -8.833   3.173
  642    HB3  GLU  82           HB1      GLU  82   5.098  -7.722   4.503
  643    HG2  GLU  82           HG2      GLU  82   4.839  -9.603   6.027
  644    HG3  GLU  82           HG1      GLU  82   5.116 -10.725   4.697
  645    H    GLY  83           H        GLY  83   1.981  -6.626   3.966
  646    HA2  GLY  83           HA2      GLY  83   2.108  -6.240   1.040
  647    HA3  GLY  83           HA1      GLY  83   0.659  -5.921   1.986
  648    H    GLN  84           H        GLN  84   1.976  -4.159   0.239
  649    HA   GLN  84           HA       GLN  84   2.518  -1.966   2.090
  650    HB2  GLN  84           HB2      GLN  84   4.291  -2.776  -0.213
  651    HB3  GLN  84           HB1      GLN  84   4.416  -1.236   0.624
  652    HG2  GLN  84           HG2      GLN  84   4.921  -2.401   2.706
  653    HG3  GLN  84           HG1      GLN  84   4.779  -3.947   1.883
  654   HE21  GLN  84          HE21      GLN  84   6.116  -3.237  -0.502
  655   HE22  GLN  84          HE22      GLN  84   7.786  -3.006  -0.129
  656    H    LEU  85           H        LEU  85   1.202  -0.369   1.589
  657    HA   LEU  85           HA       LEU  85   0.145  -0.154  -1.131
  658    HB2  LEU  85           HB2      LEU  85  -1.373  -0.102   0.890
  659    HB3  LEU  85           HB1      LEU  85  -0.634   1.423   1.330
  660    HG   LEU  85           HG       LEU  85  -2.893   1.539   0.173
  661   HD11  LEU  85          HD11      LEU  85  -2.337   3.507  -1.095
  662   HD12  LEU  85          HD12      LEU  85  -0.643   3.025  -1.167
  663   HD13  LEU  85          HD13      LEU  85  -1.369   3.467   0.379
  664   HD21  LEU  85          HD21      LEU  85  -1.236   0.869  -2.254
  665   HD22  LEU  85          HD22      LEU  85  -2.932   1.354  -2.243
  666   HD23  LEU  85          HD23      LEU  85  -2.447  -0.179  -1.520
  667    H    ILE  86           H        ILE  86   1.342   0.995  -2.458
  668    HA   ILE  86           HA       ILE  86   2.981   3.187  -1.395
  669    HB   ILE  86           HB       ILE  86   3.143   1.945  -4.142
  670   HG12  ILE  86          HG12      ILE  86   4.903   1.248  -1.791
  671   HG13  ILE  86          HG11      ILE  86   3.455   0.325  -2.178
  672   HG21  ILE  86          HG21      ILE  86   5.136   3.529  -2.519
  673   HG22  ILE  86          HG22      ILE  86   4.193   4.145  -3.878
  674   HG23  ILE  86          HG23      ILE  86   5.398   2.883  -4.140
  675   HD11  ILE  86          HD11      ILE  86   5.518  -0.683  -3.048
  676   HD12  ILE  86          HD12      ILE  86   5.769   0.746  -4.051
  677   HD13  ILE  86          HD13      ILE  86   4.359  -0.282  -4.315
  678    H    SER  87           H        SER  87   2.012   5.118  -1.501
  679    HA   SER  87           HA       SER  87   0.029   5.606  -3.581
  680    HB2  SER  87           HB2      SER  87  -0.310   7.756  -2.244
  681    HB3  SER  87           HB1      SER  87  -0.715   6.251  -1.421
  682    HG   SER  87           HG       SER  87   1.660   7.777  -1.134
  683    H    ILE  88           H        ILE  88   0.876   6.205  -5.466
  684    HA   ILE  88           HA       ILE  88   3.219   7.913  -5.595
  685    HB   ILE  88           HB       ILE  88   1.441   6.983  -7.856
  686   HG12  ILE  88          HG12      ILE  88   2.378   5.069  -6.637
  687   HG13  ILE  88          HG11      ILE  88   3.099   5.216  -8.234
  688   HG21  ILE  88          HG21      ILE  88   2.806   8.905  -8.429
  689   HG22  ILE  88          HG22      ILE  88   3.398   7.467  -9.261
  690   HG23  ILE  88          HG23      ILE  88   4.250   8.080  -7.844
  691   HD11  ILE  88          HD11      ILE  88   5.076   6.245  -7.236
  692   HD12  ILE  88          HD12      ILE  88   4.762   4.638  -6.582
  693   HD13  ILE  88          HD13      ILE  88   4.351   6.070  -5.638
  694    H    GLN  89           H        GLN  89   2.923   9.984  -5.146
  695    HA   GLN  89           HA       GLN  89   0.317  11.180  -5.412
  696    HB2  GLN  89           HB2      GLN  89   2.929  12.328  -4.429
  697    HB3  GLN  89           HB1      GLN  89   1.356  13.100  -4.278
  698    HG2  GLN  89           HG2      GLN  89   0.587  11.451  -2.769
  699    HG3  GLN  89           HG1      GLN  89   1.964  10.404  -3.105
  700   HE21  GLN  89          HE21      GLN  89   2.318  13.841  -2.713
  701   HE22  GLN  89          HE22      GLN  89   3.123  13.781  -1.180
  702    H    GLN  90           H        GLN  90   0.476  13.674  -6.096
  703    HA   GLN  90           HA       GLN  90   0.415  13.571  -8.867
  704    HB2  GLN  90           HB2      GLN  90   0.660  15.992  -7.083
  705    HB3  GLN  90           HB1      GLN  90   0.230  16.043  -8.787
  706    HG2  GLN  90           HG2      GLN  90  -1.755  14.676  -8.298
  707    HG3  GLN  90           HG1      GLN  90  -1.335  14.716  -6.586
  708   HE21  GLN  90          HE21      GLN  90  -0.375  17.496  -6.783
  709   HE22  GLN  90          HE22      GLN  90  -1.799  18.474  -6.852
  710    H    TYR  91           H        TYR  91   2.979  14.896  -6.781
  711    HA   TYR  91           HA       TYR  91   4.502  15.689  -9.118
  712    HB2  TYR  91           HB2      TYR  91   5.160  15.907  -6.174
  713    HB3  TYR  91           HB1      TYR  91   6.142  16.561  -7.479
  714    HD1  TYR  91           HD1      TYR  91   3.317  17.125  -5.324
  715    HD2  TYR  91           HD2      TYR  91   5.152  18.347  -8.960
  716    HE1  TYR  91           HE1      TYR  91   1.997  19.196  -5.289
  717    HE2  TYR  91           HE2      TYR  91   3.838  20.420  -8.936
  718    HH   TYR  91           HH       TYR  91   2.121  21.477  -6.210
  719    H    GLY  92           H        GLY  92   3.982  12.820  -7.779
  720    HA2  GLY  92           HA2      GLY  92   5.083  10.872  -8.512
  721    HA3  GLY  92           HA1      GLY  92   6.537  11.820  -8.778
  722    H    HIS  93           H        HIS  93   5.226  12.582  -5.793
  723    HA   HIS  93           HA       HIS  93   7.357  11.403  -4.361
  724    HB2  HIS  93           HB2      HIS  93   6.126  13.431  -3.591
  725    HB3  HIS  93           HB1      HIS  93   4.725  12.421  -3.264
  726    HD1  HIS  93           HD1      HIS  93   4.574  11.464  -0.970
  727    HD2  HIS  93           HD2      HIS  93   8.439  12.678  -1.913
  728    HE1  HIS  93           HE1      HIS  93   5.913  11.169   1.138
  729    HE2  HIS  93           HE2      HIS  93   8.188  12.098   0.596
  730    H    GLN  94           H        GLN  94   7.608   9.346  -3.837
  731    HA   GLN  94           HA       GLN  94   5.303   7.561  -3.829
  732    HB2  GLN  94           HB2      GLN  94   8.236   6.914  -3.464
  733    HB3  GLN  94           HB1      GLN  94   6.940   5.752  -3.697
  734    HG2  GLN  94           HG2      GLN  94   6.536   6.735  -5.935
  735    HG3  GLN  94           HG1      GLN  94   7.945   7.764  -5.694
  736   HE21  GLN  94          HE21      GLN  94   6.814   4.544  -6.290
  737   HE22  GLN  94          HE22      GLN  94   8.350   3.850  -6.668
  738    H    GLU  95           H        GLU  95   4.271   7.127  -1.991
  739    HA   GLU  95           HA       GLU  95   5.851   7.124   0.494
  740    HB2  GLU  95           HB2      GLU  95   4.127   9.032   0.171
  741    HB3  GLU  95           HB1      GLU  95   2.915   7.787   0.443
  742    HG2  GLU  95           HG2      GLU  95   3.471   9.035   2.483
  743    HG3  GLU  95           HG1      GLU  95   3.812   7.311   2.621
  744    H    VAL  96           H        VAL  96   5.656   5.317   1.735
  745    HA   VAL  96           HA       VAL  96   3.916   3.225   0.600
  746    HB   VAL  96           HB       VAL  96   6.576   2.804   1.966
  747   HG11  VAL  96          HG11      VAL  96   4.812   0.912   0.420
  748   HG12  VAL  96          HG12      VAL  96   5.069   0.908   2.164
  749   HG13  VAL  96          HG13      VAL  96   6.405   0.532   1.075
  750   HG21  VAL  96          HG21      VAL  96   6.976   3.948  -0.110
  751   HG22  VAL  96          HG22      VAL  96   5.896   2.854  -0.972
  752   HG23  VAL  96          HG23      VAL  96   7.414   2.250  -0.308
  753    H    THR  97           H        THR  97   2.315   2.686   1.906
  754    HA   THR  97           HA       THR  97   2.754   2.731   4.808
  755    HB   THR  97           HB       THR  97   0.152   2.264   3.336
  756    HG1  THR  97           HG1      THR  97  -0.231   4.508   4.051
  757   HG21  THR  97          HG21      THR  97  -0.844   2.857   5.521
  758   HG22  THR  97          HG22      THR  97   0.775   2.933   6.217
  759   HG23  THR  97          HG23      THR  97   0.147   1.400   5.607
  760    H    ARG  98           H        ARG  98   3.371   0.903   5.723
  761    HA   ARG  98           HA       ARG  98   3.120  -1.576   4.198
  762    HB2  ARG  98           HB2      ARG  98   4.786  -0.968   6.648
  763    HB3  ARG  98           HB1      ARG  98   4.877  -2.423   5.662
  764    HG2  ARG  98           HG2      ARG  98   5.641  -1.106   3.761
  765    HG3  ARG  98           HG1      ARG  98   5.509   0.366   4.716
  766    HD2  ARG  98           HD2      ARG  98   7.292  -1.962   5.394
  767    HD3  ARG  98           HD1      ARG  98   7.820  -0.515   4.537
  768    HE   ARG  98           HE       ARG  98   6.896   0.634   6.683
  769   HH11  ARG  98          HH11      ARG  98   8.634  -2.398   6.494
  770   HH12  ARG  98          HH12      ARG  98   9.330  -2.248   8.073
  771   HH21  ARG  98          HH21      ARG  98   7.820   0.839   8.769
  772   HH22  ARG  98          HH22      ARG  98   8.871  -0.407   9.364
  773    H    PHE  99           H        PHE  99   1.975  -3.298   4.873
  774    HA   PHE  99           HA       PHE  99   0.897  -3.358   7.580
  775    HB2  PHE  99           HB2      PHE  99  -1.405  -3.705   6.808
  776    HB3  PHE  99           HB1      PHE  99  -0.801  -2.134   6.302
  777    HD1  PHE  99           HD1      PHE  99   0.013  -1.893   3.897
  778    HD2  PHE  99           HD2      PHE  99  -2.278  -5.211   5.261
  779    HE1  PHE  99           HE1      PHE  99  -0.637  -2.397   1.579
  780    HE2  PHE  99           HE2      PHE  99  -2.926  -5.720   2.946
  781    HZ   PHE  99           HZ       PHE  99  -2.106  -4.313   1.101
  782    H    ASP 100           H        ASP 100  -0.261  -5.471   7.981
  783    HA   ASP 100           HA       ASP 100   0.978  -7.617   6.375
  784    HB2  ASP 100           HB2      ASP 100   0.570  -7.588   9.380
  785    HB3  ASP 100           HB1      ASP 100   1.152  -8.963   8.452
  786    H    PHE 101           H        PHE 101  -0.332  -9.376   5.899
  787    HA   PHE 101           HA       PHE 101  -2.950  -9.496   7.142
  788    HB2  PHE 101           HB2      PHE 101  -4.184  -9.422   5.035
  789    HB3  PHE 101           HB1      PHE 101  -3.317  -7.921   5.317
  790    HD1  PHE 101           HD1      PHE 101  -1.168  -7.516   4.052
  791    HD2  PHE 101           HD2      PHE 101  -3.865 -10.662   3.082
  792    HE1  PHE 101           HE1      PHE 101  -0.179  -7.670   1.806
  793    HE2  PHE 101           HE2      PHE 101  -2.872 -10.821   0.838
  794    HZ   PHE 101           HZ       PHE 101  -1.029  -9.321   0.196
  795    H    THR 102           H        THR 102  -3.915 -11.432   7.077
  796    HA   THR 102           HA       THR 102  -3.046 -13.534   5.292
  797    HB   THR 102           HB       THR 102  -2.828 -13.959   8.285
  798    HG1  THR 102           HG1      THR 102  -1.057 -12.901   6.532
  799   HG21  THR 102          HG21      THR 102  -2.042 -15.718   5.956
  800   HG22  THR 102          HG22      THR 102  -3.440 -15.961   7.004
  801   HG23  THR 102          HG23      THR 102  -1.810 -16.096   7.664
  802    H    THR 103           H        THR 103  -4.804 -12.820   8.278
  803    HA   THR 103           HA       THR 103  -7.284 -13.690   7.022
  804    HB   THR 103           HB       THR 103  -7.808 -14.693   9.420
  805    HG1  THR 103           HG1      THR 103  -5.182 -15.609   9.314
  806   HG21  THR 103          HG21      THR 103  -6.203 -16.162   7.324
  807   HG22  THR 103          HG22      THR 103  -7.954 -15.952   7.336
  808   HG23  THR 103          HG23      THR 103  -7.173 -16.918   8.588
  809    H    THR 104           H        THR 104  -8.844 -12.234   7.375
  810    HA   THR 104           HA       THR 104  -8.231  -9.864   8.835
  811    HB   THR 104           HB       THR 104  -9.578  -9.817   6.766
  812    HG1  THR 104           HG1      THR 104 -10.117  -8.007   7.729
  813   HG21  THR 104          HG21      THR 104 -11.735 -11.102   8.443
  814   HG22  THR 104          HG22      THR 104 -10.874 -11.867   7.109
  815   HG23  THR 104          HG23      THR 104 -11.928 -10.488   6.801
  816    H    SER 105           H        SER 105  -9.857 -12.806   9.564
  817    HA   SER 105           HA       SER 105 -11.040 -11.733  11.994
  818    HB2  SER 105           HB2      SER 105 -12.206 -13.455  10.506
  819    HB3  SER 105           HB1      SER 105 -11.023 -14.621  11.097
  820    HG   SER 105           HG       SER 105 -12.640 -13.065  12.829
  821    H    THR 106           H        THR 106  -9.139 -11.148  13.058
  822    HA   THR 106           HA       THR 106  -7.559 -13.404  14.089
  823    HB   THR 106           HB       THR 106  -6.205 -12.305  12.389
  824    HG1  THR 106           HG1      THR 106  -5.432 -11.812  15.080
  825   HG21  THR 106          HG21      THR 106  -5.525  -9.962  12.598
  826   HG22  THR 106          HG22      THR 106  -6.596  -9.774  13.988
  827   HG23  THR 106          HG23      THR 106  -7.271 -10.108  12.393
  828    H    SER 107           H        SER 107  -9.828 -12.044  15.195
  829    HA   SER 107           HA       SER 107 -10.588 -11.230  17.162
  830    HB2  SER 107           HB2      SER 107  -8.887 -12.933  18.030
  831    HB3  SER 107           HB1      SER 107  -7.796 -11.570  18.270
  832    HG   SER 107           HG       SER 107  -9.739 -12.431  19.861
  833    H    THR 108           H        THR 108 -10.845  -9.222  16.069
  834    HA   THR 108           HA       THR 108  -8.839  -7.182  16.767
  835    HB   THR 108           HB       THR 108  -9.866  -5.884  14.836
  836    HG1  THR 108           HG1      THR 108 -11.772  -7.160  14.627
  837   HG21  THR 108          HG21      THR 108  -8.577  -7.093  13.138
  838   HG22  THR 108          HG22      THR 108  -8.490  -8.496  14.202
  839   HG23  THR 108          HG23      THR 108  -7.692  -6.992  14.658
  840    HA   PRO 109           HA       PRO 109 -12.490  -5.796  19.116
  841    HB2  PRO 109           HB2      PRO 109 -11.156  -4.814  21.223
  842    HB3  PRO 109           HB1      PRO 109 -11.422  -6.550  21.025
  843    HG2  PRO 109           HG2      PRO 109  -8.969  -4.932  20.482
  844    HG3  PRO 109           HG1      PRO 109  -9.113  -6.548  21.195
  845    HD2  PRO 109           HD2      PRO 109  -8.458  -6.041  18.559
  846    HD3  PRO 109           HD1      PRO 109  -9.139  -7.566  19.156
  847    H    GLY 110           H        GLY 110  -9.927  -4.241  17.590
  848    HA2  GLY 110           HA2      GLY 110 -10.788  -2.055  16.600
  849    HA3  GLY 110           HA1      GLY 110 -10.957  -1.570  18.281
  850    H    SER 111           H        SER 111  -9.095  -1.090  15.722
  851    HA   SER 111           HA       SER 111  -6.467  -1.384  16.815
  852    HB2  SER 111           HB2      SER 111  -7.382   0.327  14.490
  853    HB3  SER 111           HB1      SER 111  -5.734  -0.208  14.819
  854    HG   SER 111           HG       SER 111  -6.390  -2.333  14.448
  855    H    ARG 112           H        ARG 112  -8.978   0.763  17.344
  856    HA   ARG 112           HA       ARG 112  -7.662   3.166  17.909
  857    HB2  ARG 112           HB2      ARG 112  -9.582   3.614  19.438
  858    HB3  ARG 112           HB1      ARG 112 -10.069   3.098  17.832
  859    HG2  ARG 112           HG2      ARG 112 -10.532   0.869  18.646
  860    HG3  ARG 112           HG1      ARG 112  -9.938   1.305  20.248
  861    HD2  ARG 112           HD2      ARG 112 -12.361   1.338  20.212
  862    HD3  ARG 112           HD1      ARG 112 -11.731   2.967  20.448
  863    HE   ARG 112           HE       ARG 112 -12.109   2.754  17.747
  864   HH11  ARG 112          HH11      ARG 112 -14.144   2.367  20.572
  865   HH12  ARG 112          HH12      ARG 112 -15.589   2.874  19.755
  866   HH21  ARG 112          HH21      ARG 112 -14.009   3.443  16.680
  867   HH22  ARG 112          HH22      ARG 112 -15.505   3.508  17.552
  868    H    SER 113           H        SER 113  -7.814   0.164  19.661
  869    HA   SER 113           HA       SER 113  -6.708   1.366  22.064
  870    HB2  SER 113           HB2      SER 113  -8.464  -0.422  22.203
  871    HB3  SER 113           HB1      SER 113  -7.300  -1.552  21.513
  872    HG   SER 113           HG       SER 113  -6.254  -0.195  23.624
  873    H    HIS 114           H        HIS 114  -4.632   1.900  21.819
  874    HA   HIS 114           HA       HIS 114  -2.749  -0.254  21.399
  875    HB2  HIS 114           HB2      HIS 114  -1.406   1.114  19.751
  876    HB3  HIS 114           HB1      HIS 114  -2.902   0.437  19.126
  877    HD1  HIS 114           HD1      HIS 114  -4.466   2.025  18.012
  878    HD2  HIS 114           HD2      HIS 114  -1.621   3.978  20.338
  879    HE1  HIS 114           HE1      HIS 114  -4.767   4.478  17.540
  880    HE2  HIS 114           HE2      HIS 114  -2.945   5.625  18.847
  881    H    HIS 115           H        HIS 115  -3.438   1.125  23.693
  882    HA   HIS 115           HA       HIS 115  -1.679   3.211  24.386
  883    HB2  HIS 115           HB2      HIS 115  -3.617   2.611  25.761
  884    HB3  HIS 115           HB1      HIS 115  -2.914   1.039  26.102
  885    HD1  HIS 115           HD1      HIS 115  -2.706   4.642  27.066
  886    HD2  HIS 115           HD2      HIS 115  -0.930   1.025  28.083
  887    HE1  HIS 115           HE1      HIS 115  -1.456   5.080  29.202
  888    HE2  HIS 115           HE2      HIS 115  -0.418   2.871  29.822
  889    H    HIS 116           H        HIS 116   0.437   3.025  23.961
  890    HA   HIS 116           HA       HIS 116   2.556   2.239  23.831
  891    HB2  HIS 116           HB2      HIS 116   1.600   0.748  26.262
  892    HB3  HIS 116           HB1      HIS 116   3.204   0.450  25.599
  893    HD1  HIS 116           HD1      HIS 116   5.010   2.067  26.214
  894    HD2  HIS 116           HD2      HIS 116   1.216   3.482  27.152
  895    HE1  HIS 116           HE1      HIS 116   5.378   4.180  27.524
  896    HE2  HIS 116           HE2      HIS 116   3.071   5.082  27.974
  897    H    HIS 117           H        HIS 117   0.416   1.087  22.307
  898    HA   HIS 117           HA       HIS 117  -0.015  -0.541  20.805
  899    HB2  HIS 117           HB2      HIS 117   2.465   0.021  20.336
  900    HB3  HIS 117           HB1      HIS 117   2.818  -1.515  21.116
  901    HD1  HIS 117           HD1      HIS 117   2.789  -3.516  19.617
  902    HD2  HIS 117           HD2      HIS 117   0.681  -0.315  18.010
  903    HE1  HIS 117           HE1      HIS 117   2.106  -4.245  17.313
  904    HE2  HIS 117           HE2      HIS 117   0.750  -2.332  16.394
  905    H    HIS 118           H        HIS 118  -0.277  -1.133  23.722
  906    HA   HIS 118           HA       HIS 118   0.372  -3.842  24.183
  907    HB2  HIS 118           HB2      HIS 118  -0.226  -2.269  25.996
  908    HB3  HIS 118           HB1      HIS 118  -1.875  -2.212  25.392
  909    HD1  HIS 118           HD1      HIS 118  -3.455  -3.884  26.355
  910    HD2  HIS 118           HD2      HIS 118   0.517  -4.953  26.944
  911    HE1  HIS 118           HE1      HIS 118  -3.515  -5.923  27.822
  912    HE2  HIS 118           HE2      HIS 118  -1.100  -6.450  28.293
  913    H    HIS 119           H        HIS 119  -2.843  -2.442  23.553
  914    HA   HIS 119           HA       HIS 119  -4.647  -3.187  22.405
  915    HB2  HIS 119           HB2      HIS 119  -3.049  -3.008  20.531
  916    HB3  HIS 119           HB1      HIS 119  -2.569  -4.680  20.792
  917    HD1  HIS 119           HD1      HIS 119  -3.805  -6.378  19.485
  918    HD2  HIS 119           HD2      HIS 119  -5.881  -2.790  19.740
  919    HE1  HIS 119           HE1      HIS 119  -5.797  -6.644  17.978
  920    HE2  HIS 119           HE2      HIS 119  -6.907  -4.385  17.984
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   0.641  24.085   8.939
    2    H2   GLY   1           HT2      GLY   1   1.836  25.228   9.289
    3    H3   GLY   1           HT3      GLY   1   0.252  25.472   9.827
    4    HA2  GLY   1           HA1      GLY   1   1.615  24.757  11.655
    5    HA3  GLY   1           HA2      GLY   1   0.417  23.532  11.261
    6    H    SER   2           H        SER   2   3.029  23.283  12.593
    7    HA   SER   2           HA       SER   2   4.753  21.960  10.694
    8    HB2  SER   2           HB2      SER   2   4.974  22.131  13.709
    9    HB3  SER   2           HB1      SER   2   6.244  21.625  12.594
   10    HG   SER   2           HG       SER   2   5.076  24.191  12.874
   11    H    GLN   3           H        GLN   3   3.192  20.367  10.019
   12    HA   GLN   3           HA       GLN   3   2.642  18.243  11.958
   13    HB2  GLN   3           HB2      GLN   3   1.602  18.710   9.158
   14    HB3  GLN   3           HB1      GLN   3   1.187  17.321  10.148
   15    HG2  GLN   3           HG2      GLN   3   0.204  18.824  11.820
   16    HG3  GLN   3           HG1      GLN   3   0.585  20.198  10.783
   17   HE21  GLN   3          HE21      GLN   3  -0.607  20.537   8.923
   18   HE22  GLN   3          HE22      GLN   3  -2.102  19.724   8.617
   19    H    THR   4           H        THR   4   4.863  17.569  12.043
   20    HA   THR   4           HA       THR   4   6.012  16.472   9.600
   21    HB   THR   4           HB       THR   4   7.992  16.007  11.114
   22    HG1  THR   4           HG1      THR   4   7.749  17.548  13.059
   23   HG21  THR   4          HG21      THR   4   8.701  18.351  11.175
   24   HG22  THR   4          HG22      THR   4   7.035  18.866  10.916
   25   HG23  THR   4          HG23      THR   4   7.887  17.977   9.656
   26    H    THR   5           H        THR   5   4.528  15.424  12.566
   27    HA   THR   5           HA       THR   5   5.283  12.659  12.204
   28    HB   THR   5           HB       THR   5   3.541  12.322  14.066
   29    HG1  THR   5           HG1      THR   5   2.521  14.041  14.752
   30   HG21  THR   5          HG21      THR   5   5.936  12.305  14.492
   31   HG22  THR   5          HG22      THR   5   5.095  13.153  15.787
   32   HG23  THR   5          HG23      THR   5   5.956  14.066  14.549
   33    H    ALA   6           H        ALA   6   2.922  14.736  10.993
   34    HA   ALA   6           HA       ALA   6   1.027  12.598  10.398
   35    HB1  ALA   6           HB1      ALA   6   0.849  15.526   9.710
   36    HB2  ALA   6           HB2      ALA   6   0.206  14.808  11.184
   37    HB3  ALA   6           HB3      ALA   6  -0.444  14.335   9.615
   38    HA   PRO   7           HA       PRO   7   3.190  12.445   6.438
   39    HB2  PRO   7           HB2      PRO   7   2.729   9.865   5.916
   40    HB3  PRO   7           HB1      PRO   7   3.910  10.347   7.138
   41    HG2  PRO   7           HG2      PRO   7   1.137   9.311   7.484
   42    HG3  PRO   7           HG1      PRO   7   2.582   9.005   8.463
   43    HD2  PRO   7           HD2      PRO   7   0.560  10.836   9.063
   44    HD3  PRO   7           HD1      PRO   7   2.179  10.804   9.787
   45    H    ASP   8           H        ASP   8   2.444  11.622   4.239
   46    HA   ASP   8           HA       ASP   8  -0.425  12.189   3.924
   47    HB2  ASP   8           HB2      ASP   8   1.846  12.319   1.925
   48    HB3  ASP   8           HB1      ASP   8   0.153  12.555   1.507
   49    H    ALA   9           H        ALA   9   1.008   9.675   4.698
   50    HA   ALA   9           HA       ALA   9   0.386   7.860   2.519
   51    HB1  ALA   9           HB1      ALA   9   1.360   6.146   3.939
   52    HB2  ALA   9           HB2      ALA   9   1.477   7.294   5.274
   53    HB3  ALA   9           HB3      ALA   9   2.440   7.533   3.817
   54    HA   PRO  10           HA       PRO  10  -3.827   7.169   3.829
   55    HB2  PRO  10           HB2      PRO  10  -3.196   4.505   2.632
   56    HB3  PRO  10           HB1      PRO  10  -4.586   5.560   2.351
   57    HG2  PRO  10           HG2      PRO  10  -2.634   5.402   0.557
   58    HG3  PRO  10           HG1      PRO  10  -3.402   6.959   0.926
   59    HD2  PRO  10           HD2      PRO  10  -0.735   5.927   1.748
   60    HD3  PRO  10           HD1      PRO  10  -1.226   7.567   1.365
   61    HA   PRO  11           HA       PRO  11  -3.203   5.222   7.843
   62    HB2  PRO  11           HB2      PRO  11  -6.125   4.792   7.353
   63    HB3  PRO  11           HB1      PRO  11  -5.304   5.356   8.814
   64    HG2  PRO  11           HG2      PRO  11  -6.551   7.075   7.211
   65    HG3  PRO  11           HG1      PRO  11  -5.010   7.499   7.980
   66    HD2  PRO  11           HD2      PRO  11  -5.585   6.802   5.150
   67    HD3  PRO  11           HD1      PRO  11  -4.326   7.856   5.823
   68    H    ASP  12           H        ASP  12  -3.118   3.166   8.628
   69    HA   ASP  12           HA       ASP  12  -2.303   1.153   7.054
   70    HB2  ASP  12           HB2      ASP  12  -3.828   0.814   9.643
   71    HB3  ASP  12           HB1      ASP  12  -2.808  -0.412   8.899
   72    HA   PRO  13           HA       PRO  13  -5.755   0.164   4.440
   73    HB2  PRO  13           HB2      PRO  13  -4.062  -2.294   4.187
   74    HB3  PRO  13           HB1      PRO  13  -4.860  -1.343   2.925
   75    HG2  PRO  13           HG2      PRO  13  -2.270  -1.047   3.335
   76    HG3  PRO  13           HG1      PRO  13  -3.290   0.378   3.055
   77    HD2  PRO  13           HD2      PRO  13  -2.113  -0.640   5.604
   78    HD3  PRO  13           HD1      PRO  13  -2.363   1.031   5.061
   79    H    THR  14           H        THR  14  -7.580  -0.946   4.602
   80    HA   THR  14           HA       THR  14  -7.894  -2.725   6.910
   81    HB   THR  14           HB       THR  14 -10.095  -1.550   5.230
   82    HG1  THR  14           HG1      THR  14  -8.480  -0.341   7.177
   83   HG21  THR  14          HG21      THR  14  -9.989  -2.489   8.094
   84   HG22  THR  14          HG22      THR  14 -10.733  -3.350   6.747
   85   HG23  THR  14          HG23      THR  14 -11.404  -1.812   7.290
   86    H    VAL  15           H        VAL  15  -7.777  -4.830   6.441
   87    HA   VAL  15           HA       VAL  15  -8.675  -5.746   3.800
   88    HB   VAL  15           HB       VAL  15  -6.859  -7.086   5.813
   89   HG11  VAL  15          HG11      VAL  15  -6.564  -8.850   4.132
   90   HG12  VAL  15          HG12      VAL  15  -7.801  -8.091   3.131
   91   HG13  VAL  15          HG13      VAL  15  -8.230  -8.762   4.705
   92   HG21  VAL  15          HG21      VAL  15  -5.139  -6.825   4.117
   93   HG22  VAL  15          HG22      VAL  15  -5.828  -5.256   4.536
   94   HG23  VAL  15          HG23      VAL  15  -6.298  -6.055   3.034
   95    H    ASP  16           H        ASP  16 -10.493  -6.849   3.638
   96    HA   ASP  16           HA       ASP  16 -12.038  -7.433   6.001
   97    HB2  ASP  16           HB2      ASP  16 -12.586  -7.717   3.052
   98    HB3  ASP  16           HB1      ASP  16 -13.715  -8.300   4.269
   99    H    GLN  17           H        GLN  17 -13.381  -9.647   5.709
  100    HA   GLN  17           HA       GLN  17 -11.588 -11.678   6.418
  101    HB2  GLN  17           HB2      GLN  17 -13.526 -13.185   6.340
  102    HB3  GLN  17           HB1      GLN  17 -13.900 -11.702   7.174
  103    HG2  GLN  17           HG2      GLN  17 -15.021 -10.865   5.157
  104    HG3  GLN  17           HG1      GLN  17 -14.670 -12.394   4.355
  105   HE21  GLN  17          HE21      GLN  17 -17.232 -11.138   4.943
  106   HE22  GLN  17          HE22      GLN  17 -18.119 -12.280   5.895
  107    H    VAL  18           H        VAL  18 -10.519 -13.173   5.310
  108    HA   VAL  18           HA       VAL  18 -10.175 -12.883   2.524
  109    HB   VAL  18           HB       VAL  18  -8.363 -13.648   3.977
  110   HG11  VAL  18          HG11      VAL  18  -8.318 -15.907   4.887
  111   HG12  VAL  18          HG12      VAL  18  -9.952 -16.189   4.285
  112   HG13  VAL  18          HG13      VAL  18  -9.672 -14.983   5.540
  113   HG21  VAL  18          HG21      VAL  18  -9.128 -15.705   1.907
  114   HG22  VAL  18          HG22      VAL  18  -7.515 -15.481   2.588
  115   HG23  VAL  18          HG23      VAL  18  -8.245 -14.207   1.612
  116    H    ASP  19           H        ASP  19 -11.041 -13.888   0.846
  117    HA   ASP  19           HA       ASP  19 -13.299 -15.655   1.240
  118    HB2  ASP  19           HB2      ASP  19 -11.996 -14.611  -1.292
  119    HB3  ASP  19           HB1      ASP  19 -13.496 -15.529  -1.234
  120    H    ASP  20           H        ASP  20 -12.799 -17.147  -1.270
  121    HA   ASP  20           HA       ASP  20 -11.590 -19.442  -0.253
  122    HB2  ASP  20           HB2      ASP  20 -13.007 -19.574  -2.207
  123    HB3  ASP  20           HB1      ASP  20 -11.906 -18.552  -3.125
  124    H    THR  21           H        THR  21 -10.220 -17.086  -2.529
  125    HA   THR  21           HA       THR  21  -7.592 -17.449  -1.344
  126    HB   THR  21           HB       THR  21  -6.714 -17.577  -3.837
  127    HG1  THR  21           HG1      THR  21  -9.135 -19.070  -4.053
  128   HG21  THR  21          HG21      THR  21  -6.184 -19.222  -2.127
  129   HG22  THR  21          HG22      THR  21  -6.597 -20.031  -3.640
  130   HG23  THR  21          HG23      THR  21  -7.771 -19.968  -2.327
  131    H    SER  22           H        SER  22  -9.434 -15.253  -1.360
  132    HA   SER  22           HA       SER  22  -7.769 -13.250  -2.665
  133    HB2  SER  22           HB2      SER  22 -10.753 -13.327  -3.143
  134    HB3  SER  22           HB1      SER  22  -9.594 -12.201  -3.843
  135    HG   SER  22           HG       SER  22  -8.712 -14.592  -4.434
  136    H    ILE  23           H        ILE  23  -7.946 -11.180  -1.779
  137    HA   ILE  23           HA       ILE  23  -9.751 -10.894   0.533
  138    HB   ILE  23           HB       ILE  23  -8.122  -9.611   1.743
  139   HG12  ILE  23          HG12      ILE  23  -6.060 -10.109  -0.385
  140   HG13  ILE  23          HG11      ILE  23  -7.112  -8.702  -0.465
  141   HG21  ILE  23          HG21      ILE  23  -6.862 -12.138   0.696
  142   HG22  ILE  23          HG22      ILE  23  -7.970 -12.005   2.062
  143   HG23  ILE  23          HG23      ILE  23  -6.366 -11.278   2.153
  144   HD11  ILE  23          HD11      ILE  23  -5.105  -7.994   0.537
  145   HD12  ILE  23          HD12      ILE  23  -5.076  -9.377   1.634
  146   HD13  ILE  23          HD13      ILE  23  -6.288  -8.112   1.842
  147    H    VAL  24           H        VAL  24 -10.569  -8.779   0.873
  148    HA   VAL  24           HA       VAL  24 -10.104  -6.893  -1.329
  149    HB   VAL  24           HB       VAL  24 -12.287  -6.900   0.771
  150   HG11  VAL  24          HG11      VAL  24 -13.254  -5.031  -0.496
  151   HG12  VAL  24          HG12      VAL  24 -11.839  -5.017  -1.549
  152   HG13  VAL  24          HG13      VAL  24 -11.669  -4.617   0.161
  153   HG21  VAL  24          HG21      VAL  24 -12.398  -7.412  -2.202
  154   HG22  VAL  24          HG22      VAL  24 -13.779  -7.376  -1.108
  155   HG23  VAL  24          HG23      VAL  24 -12.553  -8.632  -0.939
  156    H    VAL  25           H        VAL  25  -8.409  -5.668  -0.907
  157    HA   VAL  25           HA       VAL  25  -7.920  -4.791   1.843
  158    HB   VAL  25           HB       VAL  25  -5.987  -5.818   0.932
  159   HG11  VAL  25          HG11      VAL  25  -6.519  -5.809  -1.405
  160   HG12  VAL  25          HG12      VAL  25  -4.923  -5.095  -1.169
  161   HG13  VAL  25          HG13      VAL  25  -6.316  -4.058  -1.487
  162   HG21  VAL  25          HG21      VAL  25  -5.483  -3.820   2.192
  163   HG22  VAL  25          HG22      VAL  25  -5.629  -2.835   0.737
  164   HG23  VAL  25          HG23      VAL  25  -4.326  -4.019   0.875
  165    H    ARG  26           H        ARG  26  -8.653  -2.914   2.409
  166    HA   ARG  26           HA       ARG  26  -9.224  -0.868   0.372
  167    HB2  ARG  26           HB2      ARG  26 -10.147  -0.898   3.243
  168    HB3  ARG  26           HB1      ARG  26 -10.799   0.044   1.914
  169    HG2  ARG  26           HG2      ARG  26 -11.796  -1.882   0.933
  170    HG3  ARG  26           HG1      ARG  26 -10.952  -2.958   2.052
  171    HD2  ARG  26           HD2      ARG  26 -12.158  -1.948   3.922
  172    HD3  ARG  26           HD1      ARG  26 -13.009  -0.887   2.804
  173    HE   ARG  26           HE       ARG  26 -13.282  -3.832   2.771
  174   HH11  ARG  26          HH11      ARG  26 -14.683  -0.616   2.608
  175   HH12  ARG  26          HH12      ARG  26 -16.303  -1.200   2.434
  176   HH21  ARG  26          HH21      ARG  26 -15.403  -4.585   2.583
  177   HH22  ARG  26          HH22      ARG  26 -16.718  -3.459   2.434
  178    H    TRP  27           H        TRP  27  -8.713   1.374   0.902
  179    HA   TRP  27           HA       TRP  27  -6.989   1.827   3.196
  180    HB2  TRP  27           HB2      TRP  27  -5.318   3.074   1.769
  181    HB3  TRP  27           HB1      TRP  27  -5.289   1.323   1.604
  182    HD1  TRP  27           HD1      TRP  27  -6.354   4.483  -0.329
  183    HE1  TRP  27           HE1      TRP  27  -6.478   3.885  -2.834
  184    HE3  TRP  27           HE3      TRP  27  -5.564  -0.557  -0.004
  185    HZ2  TRP  27           HZ2      TRP  27  -6.259   1.588  -4.448
  186    HZ3  TRP  27           HZ3      TRP  27  -5.533  -1.883  -2.075
  187    HH2  TRP  27           HH2      TRP  27  -5.874  -0.828  -4.250
  188    H    SER  28           H        SER  28  -7.302   3.781   4.082
  189    HA   SER  28           HA       SER  28  -9.344   5.467   2.945
  190    HB2  SER  28           HB2      SER  28  -7.675   5.858   5.444
  191    HB3  SER  28           HB1      SER  28  -9.137   6.749   5.022
  192    HG   SER  28           HG       SER  28  -8.990   3.940   5.440
  193    H    ARG  29           H        ARG  29  -8.799   6.797   1.338
  194    HA   ARG  29           HA       ARG  29  -6.244   7.778   0.813
  195    HB2  ARG  29           HB2      ARG  29  -7.219   9.228  -0.810
  196    HB3  ARG  29           HB1      ARG  29  -8.142   7.734  -0.828
  197    HG2  ARG  29           HG2      ARG  29  -8.985  10.247   0.605
  198    HG3  ARG  29           HG1      ARG  29  -9.537   9.766  -1.001
  199    HD2  ARG  29           HD2      ARG  29 -10.560   7.790  -0.116
  200    HD3  ARG  29           HD1      ARG  29  -9.864   8.094   1.474
  201    HE   ARG  29           HE       ARG  29 -11.303  10.269   1.230
  202   HH11  ARG  29          HH11      ARG  29 -12.181   7.033   0.207
  203   HH12  ARG  29          HH12      ARG  29 -13.866   7.247   0.566
  204   HH21  ARG  29          HH21      ARG  29 -13.528  10.560   1.668
  205   HH22  ARG  29          HH22      ARG  29 -14.631   9.249   1.387
  206    HA   PRO  30           HA       PRO  30  -5.653  10.944   3.847
  207    HB2  PRO  30           HB2      PRO  30  -4.060  12.619   2.323
  208    HB3  PRO  30           HB1      PRO  30  -3.476  11.224   3.234
  209    HG2  PRO  30           HG2      PRO  30  -4.106  11.461   0.327
  210    HG3  PRO  30           HG1      PRO  30  -2.791  10.578   1.123
  211    HD2  PRO  30           HD2      PRO  30  -4.970   9.321   0.177
  212    HD3  PRO  30           HD1      PRO  30  -4.151   8.783   1.652
  213    H1   MET  31           HT1      MET  31  -0.309  35.934   4.126
  214    H2   MET  31           HT2      MET  31  -0.361  36.238   2.465
  215    H3   MET  31           HT3      MET  31  -0.145  34.662   3.025
  216    HA   MET  31           HA       MET  31  -2.339  34.703   4.036
  217    HB2  MET  31           HB2      MET  31  -2.445  37.158   4.338
  218    HB3  MET  31           HB1      MET  31  -2.595  37.351   2.599
  219    HG2  MET  31           HG2      MET  31  -4.713  36.166   2.625
  220    HG3  MET  31           HG1      MET  31  -4.556  35.899   4.361
  221    HE1  MET  31           HE1      MET  31  -6.988  36.918   4.715
  222    HE2  MET  31           HE2      MET  31  -7.131  37.199   2.980
  223    HE3  MET  31           HE3      MET  31  -7.479  38.502   4.115
  224    H    ARG  32           H        ARG  32  -1.437  35.967   0.827
  225    HA   ARG  32           HA       ARG  32  -2.665  33.651  -0.413
  226    HB2  ARG  32           HB2      ARG  32  -4.046  34.973  -1.953
  227    HB3  ARG  32           HB1      ARG  32  -4.549  35.216  -0.285
  228    HG2  ARG  32           HG2      ARG  32  -3.418  37.342  -0.210
  229    HG3  ARG  32           HG1      ARG  32  -2.772  37.090  -1.830
  230    HD2  ARG  32           HD2      ARG  32  -5.037  37.089  -2.736
  231    HD3  ARG  32           HD1      ARG  32  -5.690  37.328  -1.117
  232    HE   ARG  32           HE       ARG  32  -4.029  39.418  -1.363
  233   HH11  ARG  32          HH11      ARG  32  -6.489  38.153  -3.504
  234   HH12  ARG  32          HH12      ARG  32  -6.880  39.702  -4.183
  235   HH21  ARG  32          HH21      ARG  32  -4.537  41.460  -2.248
  236   HH22  ARG  32          HH22      ARG  32  -5.773  41.589  -3.459
  237    H    GLY  33           H        GLY  33  -2.444  34.026  -2.961
  238    HA2  GLY  33           HA2      GLY  33  -0.462  35.730  -3.959
  239    HA3  GLY  33           HA1      GLY  33   0.311  34.216  -3.507
  240    H    SER  34           H        SER  34   0.824  33.693  -5.629
  241    HA   SER  34           HA       SER  34  -1.074  33.614  -7.727
  242    HB2  SER  34           HB2      SER  34   0.702  32.108  -8.798
  243    HB3  SER  34           HB1      SER  34   1.206  33.739  -8.356
  244    HG   SER  34           HG       SER  34   2.751  32.667  -7.383
  245    H    ASN  35           H        ASN  35   0.459  30.985  -5.888
  246    HA   ASN  35           HA       ASN  35  -1.915  29.519  -5.503
  247    HB2  ASN  35           HB2      ASN  35  -1.557  27.641  -7.019
  248    HB3  ASN  35           HB1      ASN  35  -1.706  29.127  -7.948
  249   HD21  ASN  35          HD21      ASN  35   0.322  26.497  -7.082
  250   HD22  ASN  35          HD22      ASN  35   1.657  26.903  -8.102
  251    H    ALA  36           H        ALA  36  -1.594  27.949  -4.004
  252    HA   ALA  36           HA       ALA  36   1.199  27.340  -3.284
  253    HB1  ALA  36           HB1      ALA  36  -1.241  27.340  -1.505
  254    HB2  ALA  36           HB2      ALA  36   0.017  28.576  -1.532
  255    HB3  ALA  36           HB3      ALA  36   0.401  26.936  -1.005
  256    HA   PRO  37           HA       PRO  37  -0.361  23.455  -5.084
  257    HB2  PRO  37           HB2      PRO  37   2.495  22.731  -4.834
  258    HB3  PRO  37           HB1      PRO  37   1.446  22.696  -6.254
  259    HG2  PRO  37           HG2      PRO  37   3.353  24.551  -5.983
  260    HG3  PRO  37           HG1      PRO  37   1.787  24.934  -6.726
  261    HD2  PRO  37           HD2      PRO  37   2.776  25.530  -3.962
  262    HD3  PRO  37           HD1      PRO  37   1.828  26.551  -5.066
  263    H    GLN  38           H        GLN  38  -1.462  22.511  -3.419
  264    HA   GLN  38           HA       GLN  38  -0.328  21.737  -0.953
  265    HB2  GLN  38           HB2      GLN  38  -2.751  22.075  -1.285
  266    HB3  GLN  38           HB1      GLN  38  -2.799  20.675  -2.345
  267    HG2  GLN  38           HG2      GLN  38  -2.285  19.200  -0.543
  268    HG3  GLN  38           HG1      GLN  38  -1.975  20.554   0.543
  269   HE21  GLN  38          HE21      GLN  38  -3.864  18.344   0.811
  270   HE22  GLN  38          HE22      GLN  38  -5.427  19.066   0.974
  271    HA   PRO  39           HA       PRO  39   1.940  18.218  -2.461
  272    HB2  PRO  39           HB2      PRO  39   2.794  17.297  -0.066
  273    HB3  PRO  39           HB1      PRO  39   3.473  18.741  -0.825
  274    HG2  PRO  39           HG2      PRO  39   1.420  18.529   1.342
  275    HG3  PRO  39           HG1      PRO  39   2.803  19.630   1.216
  276    HD2  PRO  39           HD2      PRO  39   0.266  20.371   0.598
  277    HD3  PRO  39           HD1      PRO  39   1.693  21.061  -0.198
  278    H    SER  40           H        SER  40  -0.397  17.478  -2.949
  279    HA   SER  40           HA       SER  40  -0.756  14.897  -1.660
  280    HB2  SER  40           HB2      SER  40  -3.200  15.321  -1.378
  281    HB3  SER  40           HB1      SER  40  -2.206  16.347  -0.352
  282    HG   SER  40           HG       SER  40  -4.024  17.320  -1.656
  283    H    HIS  41           H        HIS  41  -3.405  14.639  -2.970
  284    HA   HIS  41           HA       HIS  41  -4.363  14.046  -4.935
  285    HB2  HIS  41           HB2      HIS  41  -2.179  15.710  -6.211
  286    HB3  HIS  41           HB1      HIS  41  -3.557  15.029  -7.066
  287    HD1  HIS  41           HD1      HIS  41  -5.817  16.222  -6.807
  288    HD2  HIS  41           HD2      HIS  41  -2.758  17.940  -4.579
  289    HE1  HIS  41           HE1      HIS  41  -6.699  18.452  -6.050
  290    HE2  HIS  41           HE2      HIS  41  -4.794  19.518  -4.795
  291    H    ILE  42           H        ILE  42  -3.918  11.900  -4.621
  292    HA   ILE  42           HA       ILE  42  -1.384  10.796  -5.501
  293    HB   ILE  42           HB       ILE  42  -3.825   9.465  -4.311
  294   HG12  ILE  42          HG12      ILE  42  -2.142   8.975  -2.448
  295   HG13  ILE  42          HG11      ILE  42  -1.096  10.159  -3.219
  296   HG21  ILE  42          HG21      ILE  42  -1.181   8.237  -5.078
  297   HG22  ILE  42          HG22      ILE  42  -2.738   7.934  -5.848
  298   HG23  ILE  42          HG23      ILE  42  -2.467   7.427  -4.181
  299   HD11  ILE  42          HD11      ILE  42  -2.309  11.130  -1.362
  300   HD12  ILE  42          HD12      ILE  42  -3.842  10.682  -2.109
  301   HD13  ILE  42          HD13      ILE  42  -2.799  11.875  -2.883
  302    H    SER  43           H        SER  43  -1.025  10.184  -7.492
  303    HA   SER  43           HA       SER  43  -3.086  10.228  -9.470
  304    HB2  SER  43           HB2      SER  43  -0.207   9.330  -9.717
  305    HB3  SER  43           HB1      SER  43  -1.277   9.801 -11.039
  306    HG   SER  43           HG       SER  43  -1.060  11.862 -10.509
  307    H    LYS  44           H        LYS  44  -1.338   7.740  -7.716
  308    HA   LYS  44           HA       LYS  44  -3.257   5.754  -8.434
  309    HB2  LYS  44           HB2      LYS  44  -1.669   4.201  -9.536
  310    HB3  LYS  44           HB1      LYS  44  -1.984   5.647 -10.484
  311    HG2  LYS  44           HG2      LYS  44   0.137   6.596  -9.799
  312    HG3  LYS  44           HG1      LYS  44   0.448   5.200  -8.762
  313    HD2  LYS  44           HD2      LYS  44   0.514   3.740 -10.686
  314    HD3  LYS  44           HD1      LYS  44   0.077   5.074 -11.751
  315    HE2  LYS  44           HE2      LYS  44   2.581   4.945 -10.082
  316    HE3  LYS  44           HE1      LYS  44   2.491   4.539 -11.794
  317    HZ1  LYS  44           HZ1      LYS  44   1.782   6.806 -12.252
  318    HZ2  LYS  44           HZ2      LYS  44   3.284   6.787 -11.476
  319    HZ3  LYS  44           HZ3      LYS  44   1.892   7.197 -10.612
  320    H    TYR  45           H        TYR  45  -3.167   3.954  -7.144
  321    HA   TYR  45           HA       TYR  45  -1.144   3.982  -4.996
  322    HB2  TYR  45           HB2      TYR  45  -3.855   2.623  -5.051
  323    HB3  TYR  45           HB1      TYR  45  -2.744   2.661  -3.690
  324    HD1  TYR  45           HD1      TYR  45  -5.235   4.524  -5.593
  325    HD2  TYR  45           HD2      TYR  45  -2.462   4.709  -2.374
  326    HE1  TYR  45           HE1      TYR  45  -6.343   6.554  -4.761
  327    HE2  TYR  45           HE2      TYR  45  -3.563   6.740  -1.535
  328    HH   TYR  45           HH       TYR  45  -6.586   7.840  -2.780
  329    H    ILE  46           H        ILE  46   0.352   2.392  -5.079
  330    HA   ILE  46           HA       ILE  46  -0.218   0.091  -6.814
  331    HB   ILE  46           HB       ILE  46   2.415   1.205  -5.838
  332   HG12  ILE  46          HG12      ILE  46   2.845   1.227  -8.358
  333   HG13  ILE  46          HG11      ILE  46   1.123   0.927  -8.553
  334   HG21  ILE  46          HG21      ILE  46   3.528  -0.612  -7.015
  335   HG22  ILE  46          HG22      ILE  46   1.965  -1.322  -7.420
  336   HG23  ILE  46          HG23      ILE  46   2.486  -1.238  -5.737
  337   HD11  ILE  46          HD11      ILE  46   1.617   3.274  -8.812
  338   HD12  ILE  46          HD12      ILE  46   2.375   3.313  -7.221
  339   HD13  ILE  46          HD13      ILE  46   0.643   3.014  -7.365
  340    H    LEU  47           H        LEU  47  -0.766  -1.734  -5.903
  341    HA   LEU  47           HA       LEU  47  -0.161  -2.203  -3.075
  342    HB2  LEU  47           HB2      LEU  47  -2.479  -2.527  -4.321
  343    HB3  LEU  47           HB1      LEU  47  -1.779  -4.060  -4.788
  344    HG   LEU  47           HG       LEU  47  -3.208  -4.371  -2.873
  345   HD11  LEU  47          HD11      LEU  47  -1.609  -5.315  -1.230
  346   HD12  LEU  47          HD12      LEU  47  -0.296  -4.596  -2.163
  347   HD13  LEU  47          HD13      LEU  47  -1.329  -5.825  -2.893
  348   HD21  LEU  47          HD21      LEU  47  -1.478  -2.374  -1.429
  349   HD22  LEU  47          HD22      LEU  47  -2.826  -3.284  -0.747
  350   HD23  LEU  47          HD23      LEU  47  -3.119  -2.087  -2.009
  351    H    ARG  48           H        ARG  48   1.724  -3.208  -2.708
  352    HA   ARG  48           HA       ARG  48   2.507  -5.384  -4.539
  353    HB2  ARG  48           HB2      ARG  48   4.214  -3.617  -2.786
  354    HB3  ARG  48           HB1      ARG  48   4.814  -5.078  -3.551
  355    HG2  ARG  48           HG2      ARG  48   4.225  -4.097  -5.748
  356    HG3  ARG  48           HG1      ARG  48   3.786  -2.605  -4.913
  357    HD2  ARG  48           HD2      ARG  48   6.065  -2.453  -4.016
  358    HD3  ARG  48           HD1      ARG  48   6.497  -3.924  -4.887
  359    HE   ARG  48           HE       ARG  48   5.457  -1.747  -6.496
  360   HH11  ARG  48          HH11      ARG  48   8.280  -3.417  -5.276
  361   HH12  ARG  48          HH12      ARG  48   9.332  -2.800  -6.507
  362   HH21  ARG  48          HH21      ARG  48   6.847  -0.914  -8.111
  363   HH22  ARG  48          HH22      ARG  48   8.523  -1.367  -8.109
  364    H    TRP  49           H        TRP  49   2.819  -7.395  -3.711
  365    HA   TRP  49           HA       TRP  49   2.895  -7.716  -0.817
  366    HB2  TRP  49           HB2      TRP  49   1.155  -9.427  -0.816
  367    HB3  TRP  49           HB1      TRP  49   0.518  -7.893  -1.386
  368    HD1  TRP  49           HD1      TRP  49   0.906 -11.488  -2.368
  369    HE1  TRP  49           HE1      TRP  49  -0.145 -11.877  -4.685
  370    HE3  TRP  49           HE3      TRP  49   0.199  -6.624  -3.759
  371    HZ2  TRP  49           HZ2      TRP  49  -1.139 -10.318  -6.821
  372    HZ3  TRP  49           HZ3      TRP  49  -0.808  -6.157  -5.952
  373    HH2  TRP  49           HH2      TRP  49  -1.458  -7.964  -7.451
  374    H    ARG  50           H        ARG  50   3.612  -9.810  -0.133
  375    HA   ARG  50           HA       ARG  50   4.822 -11.531  -2.146
  376    HB2  ARG  50           HB2      ARG  50   6.533  -9.794  -1.641
  377    HB3  ARG  50           HB1      ARG  50   6.463 -10.253   0.055
  378    HG2  ARG  50           HG2      ARG  50   7.080 -12.606  -0.764
  379    HG3  ARG  50           HG1      ARG  50   7.544 -11.805  -2.267
  380    HD2  ARG  50           HD2      ARG  50   9.488 -12.025  -0.874
  381    HD3  ARG  50           HD1      ARG  50   9.036 -10.321  -0.951
  382    HE   ARG  50           HE       ARG  50   7.817 -11.500   1.288
  383   HH11  ARG  50          HH11      ARG  50  11.002 -10.619   0.155
  384   HH12  ARG  50          HH12      ARG  50  11.622 -10.311   1.748
  385   HH21  ARG  50          HH21      ARG  50   8.637 -11.104   3.385
  386   HH22  ARG  50          HH22      ARG  50  10.281 -10.595   3.583
  387    HA   PRO  51           HA       PRO  51   3.570 -14.542   0.934
  388    HB2  PRO  51           HB2      PRO  51   5.009 -16.638  -0.112
  389    HB3  PRO  51           HB1      PRO  51   3.419 -16.138  -0.696
  390    HG2  PRO  51           HG2      PRO  51   6.122 -15.548  -1.806
  391    HG3  PRO  51           HG1      PRO  51   4.613 -15.912  -2.661
  392    HD2  PRO  51           HD2      PRO  51   5.588 -13.399  -2.432
  393    HD3  PRO  51           HD1      PRO  51   3.847 -13.744  -2.487
  394    H    LYS  52           H        LYS  52   4.403 -14.699   2.888
  395    HA   LYS  52           HA       LYS  52   7.163 -14.085   3.404
  396    HB2  LYS  52           HB2      LYS  52   4.669 -14.277   4.869
  397    HB3  LYS  52           HB1      LYS  52   6.010 -14.960   5.775
  398    HG2  LYS  52           HG2      LYS  52   6.036 -12.207   4.572
  399    HG3  LYS  52           HG1      LYS  52   5.556 -12.559   6.235
  400    HD2  LYS  52           HD2      LYS  52   7.776 -13.605   6.595
  401    HD3  LYS  52           HD1      LYS  52   8.242 -13.100   4.970
  402    HE2  LYS  52           HE2      LYS  52   9.083 -11.552   6.664
  403    HE3  LYS  52           HE1      LYS  52   7.928 -10.766   5.593
  404    HZ1  LYS  52           HZ1      LYS  52   6.269 -10.826   7.252
  405    HZ2  LYS  52           HZ2      LYS  52   7.673 -10.280   8.023
  406    HZ3  LYS  52           HZ3      LYS  52   7.168 -11.878   8.232
  407    H    ASN  53           H        ASN  53   5.206 -16.935   3.248
  408    HA   ASN  53           HA       ASN  53   6.700 -18.670   4.862
  409    HB2  ASN  53           HB2      ASN  53   5.547 -20.480   3.593
  410    HB3  ASN  53           HB1      ASN  53   4.454 -19.240   4.195
  411   HD21  ASN  53          HD21      ASN  53   4.161 -21.132   1.987
  412   HD22  ASN  53          HD22      ASN  53   3.840 -20.165   0.591
  413    H    SER  54           H        SER  54   7.021 -17.819   1.466
  414    HA   SER  54           HA       SER  54   9.488 -19.429   1.364
  415    HB2  SER  54           HB2      SER  54   7.752 -18.506  -0.942
  416    HB3  SER  54           HB1      SER  54   9.174 -19.544  -1.056
  417    HG   SER  54           HG       SER  54   7.837 -20.864   0.575
  418    H    VAL  55           H        VAL  55  10.826 -18.329  -0.708
  419    HA   VAL  55           HA       VAL  55  11.794 -15.877   0.225
  420    HB   VAL  55           HB       VAL  55  13.190 -17.256  -1.174
  421   HG11  VAL  55          HG11      VAL  55  12.778 -17.617  -3.543
  422   HG12  VAL  55          HG12      VAL  55  11.247 -16.751  -3.422
  423   HG13  VAL  55          HG13      VAL  55  11.463 -18.279  -2.573
  424   HG21  VAL  55          HG21      VAL  55  14.001 -15.608  -2.760
  425   HG22  VAL  55          HG22      VAL  55  13.575 -14.855  -1.226
  426   HG23  VAL  55          HG23      VAL  55  12.495 -14.708  -2.609
  427    H    GLY  56           H        GLY  56   9.626 -16.612  -2.507
  428    HA2  GLY  56           HA2      GLY  56   7.730 -15.495  -3.153
  429    HA3  GLY  56           HA1      GLY  56   7.978 -14.383  -1.819
  430    H    ARG  57           H        ARG  57   7.154 -13.906  -4.563
  431    HA   ARG  57           HA       ARG  57   9.245 -11.952  -5.274
  432    HB2  ARG  57           HB2      ARG  57   7.153 -13.184  -7.083
  433    HB3  ARG  57           HB1      ARG  57   8.379 -12.021  -7.565
  434    HG2  ARG  57           HG2      ARG  57  10.124 -13.647  -7.059
  435    HG3  ARG  57           HG1      ARG  57   8.895 -14.816  -6.571
  436    HD2  ARG  57           HD2      ARG  57   7.942 -14.728  -8.834
  437    HD3  ARG  57           HD1      ARG  57   9.204 -13.593  -9.310
  438    HE   ARG  57           HE       ARG  57  10.311 -15.984  -8.243
  439   HH11  ARG  57          HH11      ARG  57   8.787 -14.662 -11.095
  440   HH12  ARG  57          HH12      ARG  57   9.565 -15.766 -12.183
  441   HH21  ARG  57          HH21      ARG  57  11.339 -17.454  -9.678
  442   HH22  ARG  57          HH22      ARG  57  11.028 -17.344 -11.381
  443    H    TRP  58           H        TRP  58   8.617  -9.832  -5.415
  444    HA   TRP  58           HA       TRP  58   6.073  -9.138  -4.291
  445    HB2  TRP  58           HB2      TRP  58   8.297  -7.445  -5.445
  446    HB3  TRP  58           HB1      TRP  58   6.825  -6.776  -4.747
  447    HD1  TRP  58           HD1      TRP  58  10.168  -8.277  -3.793
  448    HE1  TRP  58           HE1      TRP  58  10.463  -8.119  -1.241
  449    HE3  TRP  58           HE3      TRP  58   5.439  -6.818  -2.508
  450    HZ2  TRP  58           HZ2      TRP  58   8.905  -7.467   1.014
  451    HZ3  TRP  58           HZ3      TRP  58   4.925  -6.451  -0.130
  452    HH2  TRP  58           HH2      TRP  58   6.623  -6.770   1.593
  453    H    LYS  59           H        LYS  59   4.255  -8.811  -5.330
  454    HA   LYS  59           HA       LYS  59   4.317  -8.484  -8.247
  455    HB2  LYS  59           HB2      LYS  59   2.083  -9.323  -6.391
  456    HB3  LYS  59           HB1      LYS  59   1.897  -9.087  -8.123
  457    HG2  LYS  59           HG2      LYS  59   3.523 -10.868  -8.537
  458    HG3  LYS  59           HG1      LYS  59   3.697 -11.107  -6.799
  459    HD2  LYS  59           HD2      LYS  59   2.186 -12.754  -7.825
  460    HD3  LYS  59           HD1      LYS  59   1.369 -11.756  -6.623
  461    HE2  LYS  59           HE2      LYS  59   0.013 -12.114  -8.655
  462    HE3  LYS  59           HE1      LYS  59   0.364 -10.415  -8.362
  463    HZ1  LYS  59           HZ1      LYS  59   1.806 -12.154 -10.286
  464    HZ2  LYS  59           HZ2      LYS  59   2.089 -10.507 -10.032
  465    HZ3  LYS  59           HZ3      LYS  59   0.621 -11.015 -10.691
  466    H    GLU  60           H        GLU  60   3.223  -6.761  -9.236
  467    HA   GLU  60           HA       GLU  60   2.522  -4.592  -7.371
  468    HB2  GLU  60           HB2      GLU  60   3.525  -4.330 -10.215
  469    HB3  GLU  60           HB1      GLU  60   3.124  -3.002  -9.141
  470    HG2  GLU  60           HG2      GLU  60   5.430  -3.085  -9.071
  471    HG3  GLU  60           HG1      GLU  60   4.950  -3.949  -7.613
  472    H    ALA  61           H        ALA  61   0.464  -4.103  -7.307
  473    HA   ALA  61           HA       ALA  61  -1.107  -4.321  -9.792
  474    HB1  ALA  61           HB1      ALA  61  -2.085  -4.430  -6.938
  475    HB2  ALA  61           HB2      ALA  61  -1.945  -5.801  -8.038
  476    HB3  ALA  61           HB3      ALA  61  -3.099  -4.512  -8.378
  477    H    THR  62           H        THR  62  -1.427  -2.392 -10.689
  478    HA   THR  62           HA       THR  62  -1.195  -0.001  -9.047
  479    HB   THR  62           HB       THR  62  -1.512  -0.247 -12.046
  480    HG1  THR  62           HG1      THR  62   0.489  -1.082 -10.971
  481   HG21  THR  62          HG21      THR  62  -2.250   1.922 -11.165
  482   HG22  THR  62          HG22      THR  62  -0.759   2.080 -12.093
  483   HG23  THR  62          HG23      THR  62  -0.708   2.105 -10.330
  484    H    ILE  63           H        ILE  63  -2.907   0.880  -8.169
  485    HA   ILE  63           HA       ILE  63  -5.533   0.527  -9.455
  486    HB   ILE  63           HB       ILE  63  -4.922   1.237  -6.575
  487   HG12  ILE  63          HG12      ILE  63  -6.208  -1.080  -6.344
  488   HG13  ILE  63          HG11      ILE  63  -5.522  -1.349  -7.939
  489   HG21  ILE  63          HG21      ILE  63  -7.307   0.971  -6.191
  490   HG22  ILE  63          HG22      ILE  63  -7.555   0.619  -7.900
  491   HG23  ILE  63          HG23      ILE  63  -7.005   2.218  -7.402
  492   HD11  ILE  63          HD11      ILE  63  -4.117  -2.295  -6.206
  493   HD12  ILE  63          HD12      ILE  63  -3.974  -0.713  -5.438
  494   HD13  ILE  63          HD13      ILE  63  -3.285  -0.982  -7.040
  495    HA   PRO  64           HA       PRO  64  -5.383   4.854 -10.659
  496    HB2  PRO  64           HB2      PRO  64  -8.327   4.424 -10.301
  497    HB3  PRO  64           HB1      PRO  64  -7.457   5.208 -11.627
  498    HG2  PRO  64           HG2      PRO  64  -8.387   2.742 -11.917
  499    HG3  PRO  64           HG1      PRO  64  -6.799   3.186 -12.567
  500    HD2  PRO  64           HD2      PRO  64  -7.477   1.570 -10.159
  501    HD3  PRO  64           HD1      PRO  64  -6.102   1.422 -11.271
  502    H    GLY  65           H        GLY  65  -5.597   6.815  -9.625
  503    HA2  GLY  65           HA2      GLY  65  -5.430   6.699  -6.813
  504    HA3  GLY  65           HA1      GLY  65  -5.447   8.161  -7.780
  505    H    HIS  66           H        HIS  66  -8.218   6.698  -8.638
  506    HA   HIS  66           HA       HIS  66  -9.709   8.170  -6.587
  507    HB2  HIS  66           HB2      HIS  66 -11.600   8.148  -8.207
  508    HB3  HIS  66           HB1      HIS  66 -10.179   9.004  -8.785
  509    HD1  HIS  66           HD1      HIS  66  -9.109   8.181 -10.922
  510    HD2  HIS  66           HD2      HIS  66 -12.092   5.647  -9.524
  511    HE1  HIS  66           HE1      HIS  66  -9.538   6.545 -12.784
  512    HE2  HIS  66           HE2      HIS  66 -11.428   5.095 -11.961
  513    H    LEU  67           H        LEU  67  -8.665   5.234  -6.720
  514    HA   LEU  67           HA       LEU  67 -11.202   4.083  -5.747
  515    HB2  LEU  67           HB2      LEU  67  -8.830   2.570  -6.837
  516    HB3  LEU  67           HB1      LEU  67 -10.319   1.864  -6.249
  517    HG   LEU  67           HG       LEU  67  -9.979   3.540  -8.731
  518   HD11  LEU  67          HD11      LEU  67  -9.160   1.285  -8.979
  519   HD12  LEU  67          HD12      LEU  67 -10.666   1.479  -9.871
  520   HD13  LEU  67          HD13      LEU  67 -10.661   0.639  -8.321
  521   HD21  LEU  67          HD21      LEU  67 -12.352   3.073  -9.150
  522   HD22  LEU  67          HD22      LEU  67 -12.122   4.040  -7.695
  523   HD23  LEU  67          HD23      LEU  67 -12.477   2.318  -7.562
  524    H    ASN  68           H        ASN  68 -11.089   2.815  -3.831
  525    HA   ASN  68           HA       ASN  68  -8.651   3.251  -2.243
  526    HB2  ASN  68           HB2      ASN  68 -11.507   3.589  -1.298
  527    HB3  ASN  68           HB1      ASN  68 -10.094   3.640  -0.255
  528   HD21  ASN  68          HD21      ASN  68  -8.499   5.124  -2.257
  529   HD22  ASN  68          HD22      ASN  68  -9.113   6.735  -2.237
  530    H    SER  69           H        SER  69  -9.868   0.874  -3.711
  531    HA   SER  69           HA       SER  69  -9.211  -1.003  -1.649
  532    HB2  SER  69           HB2      SER  69 -11.367  -2.295  -1.885
  533    HB3  SER  69           HB1      SER  69 -11.508  -0.761  -1.027
  534    HG   SER  69           HG       SER  69 -12.177   0.138  -3.103
  535    H    TYR  70           H        TYR  70  -8.598  -2.979  -2.410
  536    HA   TYR  70           HA       TYR  70  -8.956  -3.541  -5.268
  537    HB2  TYR  70           HB2      TYR  70  -6.749  -2.534  -5.083
  538    HB3  TYR  70           HB1      TYR  70  -6.329  -3.616  -3.763
  539    HD1  TYR  70           HD1      TYR  70  -5.143  -5.551  -4.234
  540    HD2  TYR  70           HD2      TYR  70  -7.374  -3.704  -7.346
  541    HE1  TYR  70           HE1      TYR  70  -4.229  -7.171  -5.842
  542    HE2  TYR  70           HE2      TYR  70  -6.465  -5.318  -8.963
  543    HH   TYR  70           HH       TYR  70  -4.771  -8.128  -7.997
  544    H    THR  71           H        THR  71  -9.197  -5.703  -5.748
  545    HA   THR  71           HA       THR  71  -9.346  -7.519  -3.453
  546    HB   THR  71           HB       THR  71 -10.330  -8.016  -6.269
  547    HG1  THR  71           HG1      THR  71 -11.297  -6.179  -4.955
  548   HG21  THR  71          HG21      THR  71 -11.716  -9.733  -5.197
  549   HG22  THR  71          HG22      THR  71 -11.001  -9.336  -3.635
  550   HG23  THR  71          HG23      THR  71 -10.000 -10.029  -4.911
  551    H    ILE  72           H        ILE  72  -7.411  -8.448  -3.081
  552    HA   ILE  72           HA       ILE  72  -5.610  -9.106  -5.255
  553    HB   ILE  72           HB       ILE  72  -5.309  -9.913  -2.362
  554   HG12  ILE  72          HG12      ILE  72  -4.315  -7.389  -3.708
  555   HG13  ILE  72          HG11      ILE  72  -5.591  -7.467  -2.496
  556   HG21  ILE  72          HG21      ILE  72  -3.321  -9.567  -4.603
  557   HG22  ILE  72          HG22      ILE  72  -3.866 -11.093  -3.907
  558   HG23  ILE  72          HG23      ILE  72  -2.916  -9.970  -2.935
  559   HD11  ILE  72          HD11      ILE  72  -2.661  -8.004  -2.145
  560   HD12  ILE  72          HD12      ILE  72  -3.867  -8.466  -0.947
  561   HD13  ILE  72          HD13      ILE  72  -3.651  -6.762  -1.365
  562    H    LYS  73           H        LYS  73  -5.834 -10.918  -6.392
  563    HA   LYS  73           HA       LYS  73  -7.199 -13.195  -5.121
  564    HB2  LYS  73           HB2      LYS  73  -6.951 -12.536  -8.065
  565    HB3  LYS  73           HB1      LYS  73  -7.831 -13.899  -7.384
  566    HG2  LYS  73           HG2      LYS  73  -9.318 -12.328  -6.216
  567    HG3  LYS  73           HG1      LYS  73  -8.463 -10.985  -6.973
  568    HD2  LYS  73           HD2      LYS  73  -9.116 -11.837  -9.184
  569    HD3  LYS  73           HD1      LYS  73  -9.996 -13.155  -8.405
  570    HE2  LYS  73           HE2      LYS  73 -11.400 -11.489  -7.249
  571    HE3  LYS  73           HE1      LYS  73 -10.554 -10.206  -8.109
  572    HZ1  LYS  73           HZ1      LYS  73 -12.176 -12.353  -9.364
  573    HZ2  LYS  73           HZ2      LYS  73 -11.363 -11.124 -10.193
  574    HZ3  LYS  73           HZ3      LYS  73 -12.650 -10.741  -9.165
  575    H    GLY  74           H        GLY  74  -6.138 -15.057  -4.887
  576    HA2  GLY  74           HA2      GLY  74  -4.570 -16.697  -5.808
  577    HA3  GLY  74           HA1      GLY  74  -3.546 -15.346  -6.277
  578    H    LEU  75           H        LEU  75  -5.167 -15.302  -3.224
  579    HA   LEU  75           HA       LEU  75  -2.581 -15.618  -1.865
  580    HB2  LEU  75           HB2      LEU  75  -5.162 -14.373  -0.913
  581    HB3  LEU  75           HB1      LEU  75  -3.707 -14.513   0.049
  582    HG   LEU  75           HG       LEU  75  -3.982 -12.875  -2.475
  583   HD11  LEU  75          HD11      LEU  75  -5.235 -11.929  -0.648
  584   HD12  LEU  75          HD12      LEU  75  -3.789 -10.968  -0.952
  585   HD13  LEU  75          HD13      LEU  75  -3.841 -12.075   0.420
  586   HD21  LEU  75          HD21      LEU  75  -1.689 -13.159  -0.536
  587   HD22  LEU  75          HD22      LEU  75  -1.775 -11.995  -1.858
  588   HD23  LEU  75          HD23      LEU  75  -1.721 -13.722  -2.207
  589    H    LYS  76           H        LYS  76  -2.276 -17.183  -0.343
  590    HA   LYS  76           HA       LYS  76  -4.371 -19.208  -0.108
  591    HB2  LYS  76           HB2      LYS  76  -1.519 -19.258   0.903
  592    HB3  LYS  76           HB1      LYS  76  -2.631 -20.618   0.858
  593    HG2  LYS  76           HG2      LYS  76  -2.633 -20.563  -1.570
  594    HG3  LYS  76           HG1      LYS  76  -1.565 -19.157  -1.549
  595    HD2  LYS  76           HD2      LYS  76   0.130 -20.513  -0.361
  596    HD3  LYS  76           HD1      LYS  76  -0.930 -21.917  -0.503
  597    HE2  LYS  76           HE2      LYS  76   0.226 -20.338  -2.799
  598    HE3  LYS  76           HE1      LYS  76   0.807 -21.901  -2.230
  599    HZ1  LYS  76           HZ1      LYS  76  -1.368 -22.841  -2.788
  600    HZ2  LYS  76           HZ2      LYS  76  -0.603 -22.179  -4.141
  601    HZ3  LYS  76           HZ3      LYS  76  -1.867 -21.343  -3.394
  602    HA   PRO  77           HA       PRO  77  -5.519 -17.519   3.915
  603    HB2  PRO  77           HB2      PRO  77  -6.965 -20.102   4.075
  604    HB3  PRO  77           HB1      PRO  77  -7.576 -18.457   4.278
  605    HG2  PRO  77           HG2      PRO  77  -8.134 -19.863   2.079
  606    HG3  PRO  77           HG1      PRO  77  -7.813 -18.120   1.998
  607    HD2  PRO  77           HD2      PRO  77  -6.016 -20.416   1.308
  608    HD3  PRO  77           HD1      PRO  77  -6.235 -18.863   0.473
  609    H    GLY  78           H        GLY  78  -4.437 -17.734   5.776
  610    HA2  GLY  78           HA2      GLY  78  -3.644 -19.024   7.629
  611    HA3  GLY  78           HA1      GLY  78  -3.418 -20.385   6.538
  612    H    VAL  79           H        VAL  79  -2.212 -18.632   4.502
  613    HA   VAL  79           HA       VAL  79   0.502 -18.671   5.533
  614    HB   VAL  79           HB       VAL  79  -0.565 -18.046   2.768
  615   HG11  VAL  79          HG11      VAL  79   2.271 -18.454   3.695
  616   HG12  VAL  79          HG12      VAL  79   1.567 -16.938   3.129
  617   HG13  VAL  79          HG13      VAL  79   1.751 -18.299   2.018
  618   HG21  VAL  79          HG21      VAL  79   0.757 -20.514   3.875
  619   HG22  VAL  79          HG22      VAL  79   0.367 -20.242   2.178
  620   HG23  VAL  79          HG23      VAL  79  -0.927 -20.359   3.372
  621    H    VAL  80           H        VAL  80   1.655 -16.879   6.066
  622    HA   VAL  80           HA       VAL  80   0.185 -14.393   6.199
  623    HB   VAL  80           HB       VAL  80   2.104 -13.524   7.481
  624   HG11  VAL  80          HG11      VAL  80   1.834 -14.973   9.437
  625   HG12  VAL  80          HG12      VAL  80   1.106 -16.211   8.415
  626   HG13  VAL  80          HG13      VAL  80   0.292 -14.662   8.638
  627   HG21  VAL  80          HG21      VAL  80   3.979 -14.612   6.569
  628   HG22  VAL  80          HG22      VAL  80   3.292 -16.206   6.852
  629   HG23  VAL  80          HG23      VAL  80   3.832 -15.227   8.214
  630    H    TYR  81           H        TYR  81   0.576 -12.562   5.092
  631    HA   TYR  81           HA       TYR  81   2.724 -12.606   3.077
  632    HB2  TYR  81           HB2      TYR  81  -0.114 -11.611   2.739
  633    HB3  TYR  81           HB1      TYR  81   1.176 -11.342   1.575
  634    HD1  TYR  81           HD1      TYR  81  -1.193 -13.761   2.936
  635    HD2  TYR  81           HD2      TYR  81   2.033 -13.186   0.227
  636    HE1  TYR  81           HE1      TYR  81  -1.755 -15.882   1.827
  637    HE2  TYR  81           HE2      TYR  81   1.482 -15.306  -0.887
  638    HH   TYR  81           HH       TYR  81   0.335 -17.411  -0.367
  639    H    GLU  82           H        GLU  82   3.525 -10.546   2.456
  640    HA   GLU  82           HA       GLU  82   3.120  -8.441   4.469
  641    HB2  GLU  82           HB2      GLU  82   5.318  -8.817   2.420
  642    HB3  GLU  82           HB1      GLU  82   5.215  -7.471   3.545
  643    HG2  GLU  82           HG2      GLU  82   5.497 -10.361   4.321
  644    HG3  GLU  82           HG1      GLU  82   6.814  -9.195   4.247
  645    H    GLY  83           H        GLY  83   2.437  -6.400   3.854
  646    HA2  GLY  83           HA2      GLY  83   1.679  -6.128   1.011
  647    HA3  GLY  83           HA1      GLY  83   0.602  -5.658   2.318
  648    H    GLN  84           H        GLN  84   2.338  -4.357   0.030
  649    HA   GLN  84           HA       GLN  84   3.124  -2.039   1.677
  650    HB2  GLN  84           HB2      GLN  84   4.400  -2.856  -0.939
  651    HB3  GLN  84           HB1      GLN  84   4.927  -1.577   0.144
  652    HG2  GLN  84           HG2      GLN  84   4.962  -4.522   0.759
  653    HG3  GLN  84           HG1      GLN  84   6.354  -3.549   0.288
  654   HE21  GLN  84          HE21      GLN  84   5.809  -5.101   2.714
  655   HE22  GLN  84          HE22      GLN  84   5.985  -3.999   4.031
  656    H    LEU  85           H        LEU  85   1.705  -0.453   1.337
  657    HA   LEU  85           HA       LEU  85   0.449  -0.215  -1.304
  658    HB2  LEU  85           HB2      LEU  85  -0.939  -0.320   0.813
  659    HB3  LEU  85           HB1      LEU  85  -0.274   1.239   1.245
  660    HG   LEU  85           HG       LEU  85  -2.616   1.183   0.211
  661   HD11  LEU  85          HD11      LEU  85  -2.281   3.252  -1.001
  662   HD12  LEU  85          HD12      LEU  85  -0.546   2.949  -1.074
  663   HD13  LEU  85          HD13      LEU  85  -1.328   3.237   0.482
  664   HD21  LEU  85          HD21      LEU  85  -2.061  -0.393  -1.604
  665   HD22  LEU  85          HD22      LEU  85  -1.031   0.840  -2.331
  666   HD23  LEU  85          HD23      LEU  85  -2.768   1.109  -2.195
  667    H    ILE  86           H        ILE  86   1.781   0.907  -2.599
  668    HA   ILE  86           HA       ILE  86   3.189   3.245  -1.529
  669    HB   ILE  86           HB       ILE  86   3.502   2.030  -4.282
  670   HG12  ILE  86          HG12      ILE  86   5.779   1.298  -3.186
  671   HG13  ILE  86          HG11      ILE  86   4.867   1.401  -1.687
  672   HG21  ILE  86          HG21      ILE  86   4.202   4.359  -4.104
  673   HG22  ILE  86          HG22      ILE  86   5.591   3.298  -4.340
  674   HG23  ILE  86          HG23      ILE  86   5.242   3.950  -2.738
  675   HD11  ILE  86          HD11      ILE  86   4.932  -0.868  -2.564
  676   HD12  ILE  86          HD12      ILE  86   4.156  -0.317  -4.050
  677   HD13  ILE  86          HD13      ILE  86   3.285  -0.238  -2.519
  678    H    SER  87           H        SER  87   2.029   5.048  -1.594
  679    HA   SER  87           HA       SER  87   0.139   5.502  -3.766
  680    HB2  SER  87           HB2      SER  87   0.770   7.266  -1.393
  681    HB3  SER  87           HB1      SER  87  -0.627   7.390  -2.459
  682    HG   SER  87           HG       SER  87  -0.030   5.139  -0.838
  683    H    ILE  88           H        ILE  88   0.797   6.457  -5.570
  684    HA   ILE  88           HA       ILE  88   3.223   8.100  -5.525
  685    HB   ILE  88           HB       ILE  88   1.638   7.160  -7.922
  686   HG12  ILE  88          HG12      ILE  88   2.534   5.249  -6.668
  687   HG13  ILE  88          HG11      ILE  88   3.372   5.445  -8.203
  688   HG21  ILE  88          HG21      ILE  88   4.425   8.290  -7.703
  689   HG22  ILE  88          HG22      ILE  88   3.012   9.137  -8.331
  690   HG23  ILE  88          HG23      ILE  88   3.649   7.731  -9.185
  691   HD11  ILE  88          HD11      ILE  88   4.390   6.278  -5.499
  692   HD12  ILE  88          HD12      ILE  88   5.231   6.521  -7.029
  693   HD13  ILE  88          HD13      ILE  88   4.925   4.887  -6.443
  694    H    GLN  89           H        GLN  89   2.932  10.203  -5.206
  695    HA   GLN  89           HA       GLN  89   0.412  11.456  -5.932
  696    HB2  GLN  89           HB2      GLN  89   2.867  12.550  -4.553
  697    HB3  GLN  89           HB1      GLN  89   1.401  13.474  -4.854
  698    HG2  GLN  89           HG2      GLN  89   0.131  11.999  -3.430
  699    HG3  GLN  89           HG1      GLN  89   1.544  10.968  -3.196
  700   HE21  GLN  89          HE21      GLN  89   1.498  11.261  -0.969
  701   HE22  GLN  89          HE22      GLN  89   1.990  12.743  -0.229
  702    H    GLN  90           H        GLN  90   0.401  13.516  -7.100
  703    HA   GLN  90           HA       GLN  90   1.551  13.354  -9.629
  704    HB2  GLN  90           HB2      GLN  90   0.606  15.833  -8.186
  705    HB3  GLN  90           HB1      GLN  90   0.841  15.688  -9.921
  706    HG2  GLN  90           HG2      GLN  90  -0.921  14.020 -10.038
  707    HG3  GLN  90           HG1      GLN  90  -1.141  14.116  -8.292
  708   HE21  GLN  90          HE21      GLN  90  -0.744  17.020  -8.259
  709   HE22  GLN  90          HE22      GLN  90  -2.201  17.703  -8.880
  710    H    TYR  91           H        TYR  91   2.735  14.832  -6.707
  711    HA   TYR  91           HA       TYR  91   4.784  16.373  -8.026
  712    HB2  TYR  91           HB2      TYR  91   4.350  15.852  -5.079
  713    HB3  TYR  91           HB1      TYR  91   5.403  17.078  -5.772
  714    HD1  TYR  91           HD1      TYR  91   4.510  19.151  -6.601
  715    HD2  TYR  91           HD2      TYR  91   1.908  16.087  -5.209
  716    HE1  TYR  91           HE1      TYR  91   2.642  20.751  -6.585
  717    HE2  TYR  91           HE2      TYR  91   0.035  17.675  -5.195
  718    HH   TYR  91           HH       TYR  91  -0.321  20.087  -5.049
  719    H    GLY  92           H        GLY  92   4.613  13.223  -7.759
  720    HA2  GLY  92           HA2      GLY  92   6.267  11.630  -8.037
  721    HA3  GLY  92           HA1      GLY  92   7.470  12.892  -7.815
  722    H    HIS  93           H        HIS  93   5.159  12.810  -5.344
  723    HA   HIS  93           HA       HIS  93   7.116  11.789  -3.476
  724    HB2  HIS  93           HB2      HIS  93   4.459  13.130  -3.218
  725    HB3  HIS  93           HB1      HIS  93   5.041  12.160  -1.872
  726    HD1  HIS  93           HD1      HIS  93   7.148  13.013  -0.617
  727    HD2  HIS  93           HD2      HIS  93   5.758  15.564  -3.588
  728    HE1  HIS  93           HE1      HIS  93   8.294  15.213  -0.211
  729    HE2  HIS  93           HE2      HIS  93   7.254  16.788  -1.874
  730    H    GLN  94           H        GLN  94   7.222   9.778  -2.752
  731    HA   GLN  94           HA       GLN  94   4.966   7.985  -3.324
  732    HB2  GLN  94           HB2      GLN  94   7.861   7.345  -2.712
  733    HB3  GLN  94           HB1      GLN  94   6.604   6.149  -2.991
  734    HG2  GLN  94           HG2      GLN  94   6.294   7.057  -5.262
  735    HG3  GLN  94           HG1      GLN  94   7.628   8.169  -4.968
  736   HE21  GLN  94          HE21      GLN  94   8.802   7.294  -6.664
  737   HE22  GLN  94          HE22      GLN  94   9.578   5.753  -6.552
  738    H    GLU  95           H        GLU  95   3.701   7.545  -1.676
  739    HA   GLU  95           HA       GLU  95   4.857   7.531   1.032
  740    HB2  GLU  95           HB2      GLU  95   2.033   8.070   0.106
  741    HB3  GLU  95           HB1      GLU  95   2.476   7.845   1.791
  742    HG2  GLU  95           HG2      GLU  95   3.557  10.003  -0.010
  743    HG3  GLU  95           HG1      GLU  95   2.258  10.210   1.163
  744    H    VAL  96           H        VAL  96   5.186   5.559   1.774
  745    HA   VAL  96           HA       VAL  96   3.601   3.361   0.630
  746    HB   VAL  96           HB       VAL  96   6.347   3.191   1.876
  747   HG11  VAL  96          HG11      VAL  96   5.118   1.118   2.048
  748   HG12  VAL  96          HG12      VAL  96   6.391   0.955   0.838
  749   HG13  VAL  96          HG13      VAL  96   4.717   1.180   0.333
  750   HG21  VAL  96          HG21      VAL  96   6.495   4.477  -0.161
  751   HG22  VAL  96          HG22      VAL  96   5.548   3.273  -1.033
  752   HG23  VAL  96          HG23      VAL  96   7.160   2.868  -0.441
  753    H    THR  97           H        THR  97   2.043   2.803   1.992
  754    HA   THR  97           HA       THR  97   2.518   2.849   4.865
  755    HB   THR  97           HB       THR  97  -0.006   2.005   3.431
  756    HG1  THR  97           HG1      THR  97  -0.526   4.317   4.262
  757   HG21  THR  97          HG21      THR  97   0.125   1.312   5.764
  758   HG22  THR  97          HG22      THR  97  -1.061   2.604   5.580
  759   HG23  THR  97          HG23      THR  97   0.531   2.958   6.249
  760    H    ARG  98           H        ARG  98   3.399   1.136   5.789
  761    HA   ARG  98           HA       ARG  98   3.426  -1.414   4.411
  762    HB2  ARG  98           HB2      ARG  98   4.706  -0.610   7.031
  763    HB3  ARG  98           HB1      ARG  98   5.009  -2.099   6.147
  764    HG2  ARG  98           HG2      ARG  98   5.860  -0.718   4.253
  765    HG3  ARG  98           HG1      ARG  98   5.706   0.700   5.291
  766    HD2  ARG  98           HD2      ARG  98   7.994  -0.165   5.289
  767    HD3  ARG  98           HD1      ARG  98   7.259  -0.282   6.887
  768    HE   ARG  98           HE       ARG  98   6.996  -2.643   6.533
  769   HH11  ARG  98          HH11      ARG  98   9.020  -1.006   4.178
  770   HH12  ARG  98          HH12      ARG  98   9.825  -2.461   3.682
  771   HH21  ARG  98          HH21      ARG  98   8.053  -4.545   5.879
  772   HH22  ARG  98          HH22      ARG  98   9.272  -4.473   4.645
  773    H    PHE  99           H        PHE  99   2.291  -3.169   4.945
  774    HA   PHE  99           HA       PHE  99   1.095  -3.449   7.564
  775    HB2  PHE  99           HB2      PHE  99  -1.194  -3.708   6.753
  776    HB3  PHE  99           HB1      PHE  99  -0.593  -2.105   6.352
  777    HD1  PHE  99           HD1      PHE  99   0.274  -1.738   3.968
  778    HD2  PHE  99           HD2      PHE  99  -2.095  -5.080   5.113
  779    HE1  PHE  99           HE1      PHE  99  -0.355  -2.094   1.618
  780    HE2  PHE  99           HE2      PHE  99  -2.726  -5.443   2.764
  781    HZ   PHE  99           HZ       PHE  99  -1.855  -3.948   1.014
  782    H    ASP 100           H        ASP 100  -0.348  -5.593   7.438
  783    HA   ASP 100           HA       ASP 100   0.793  -7.497   5.554
  784    HB2  ASP 100           HB2      ASP 100   1.652  -8.992   7.158
  785    HB3  ASP 100           HB1      ASP 100   2.209  -7.417   7.698
  786    H    PHE 101           H        PHE 101  -0.438  -9.460   5.407
  787    HA   PHE 101           HA       PHE 101  -2.996  -9.489   6.796
  788    HB2  PHE 101           HB2      PHE 101  -4.185  -9.847   4.581
  789    HB3  PHE 101           HB1      PHE 101  -3.636  -8.210   4.910
  790    HD1  PHE 101           HD1      PHE 101  -3.143 -11.192   2.848
  791    HD2  PHE 101           HD2      PHE 101  -1.862  -7.209   3.624
  792    HE1  PHE 101           HE1      PHE 101  -1.954 -11.154   0.694
  793    HE2  PHE 101           HE2      PHE 101  -0.675  -7.166   1.472
  794    HZ   PHE 101           HZ       PHE 101  -0.722  -9.140   0.004
  795    H    THR 102           H        THR 102  -4.075 -11.482   6.735
  796    HA   THR 102           HA       THR 102  -2.809 -13.749   5.431
  797    HB   THR 102           HB       THR 102  -3.174 -13.682   8.436
  798    HG1  THR 102           HG1      THR 102  -1.109 -12.902   6.853
  799   HG21  THR 102          HG21      THR 102  -3.522 -15.903   7.481
  800   HG22  THR 102          HG22      THR 102  -2.014 -15.844   8.395
  801   HG23  THR 102          HG23      THR 102  -1.979 -15.790   6.632
  802    H    THR 103           H        THR 103  -5.146 -13.023   8.024
  803    HA   THR 103           HA       THR 103  -7.354 -13.956   6.419
  804    HB   THR 103           HB       THR 103  -6.547 -15.479   8.912
  805    HG1  THR 103           HG1      THR 103  -6.048 -15.852   6.308
  806   HG21  THR 103          HG21      THR 103  -8.551 -16.826   8.572
  807   HG22  THR 103          HG22      THR 103  -9.018 -15.813   7.209
  808   HG23  THR 103          HG23      THR 103  -8.981 -15.137   8.836
  809    H    THR 104           H        THR 104  -6.414 -13.331   9.807
  810    HA   THR 104           HA       THR 104  -8.924 -11.888  10.196
  811    HB   THR 104           HB       THR 104  -6.880 -12.472  12.333
  812    HG1  THR 104           HG1      THR 104  -7.318 -14.516  11.991
  813   HG21  THR 104          HG21      THR 104  -8.674 -10.909  12.910
  814   HG22  THR 104          HG22      THR 104  -8.854 -12.423  13.797
  815   HG23  THR 104          HG23      THR 104  -9.879 -12.092  12.400
  816    H    SER 105           H        SER 105  -7.777 -10.277   8.648
  817    HA   SER 105           HA       SER 105  -5.896  -8.514   9.947
  818    HB2  SER 105           HB2      SER 105  -5.807  -8.886   7.506
  819    HB3  SER 105           HB1      SER 105  -7.419  -8.188   7.348
  820    HG   SER 105           HG       SER 105  -5.039  -6.889   8.198
  821    H    THR 106           H        THR 106  -9.060  -7.802   8.441
  822    HA   THR 106           HA       THR 106  -9.795  -6.399  10.918
  823    HB   THR 106           HB       THR 106 -10.529  -5.639   8.084
  824    HG1  THR 106           HG1      THR 106  -8.440  -4.956   8.842
  825   HG21  THR 106          HG21      THR 106 -12.450  -5.305   9.549
  826   HG22  THR 106          HG22      THR 106 -11.741  -3.748   9.117
  827   HG23  THR 106          HG23      THR 106 -11.440  -4.443  10.709
  828    H    SER 107           H        SER 107 -10.868  -8.071  11.826
  829    HA   SER 107           HA       SER 107 -13.490  -8.648  10.737
  830    HB2  SER 107           HB2      SER 107 -11.568 -10.892  11.423
  831    HB3  SER 107           HB1      SER 107 -13.243 -11.074  10.903
  832    HG   SER 107           HG       SER 107 -12.072  -9.578   9.090
  833    H    THR 108           H        THR 108 -14.644  -7.949  12.419
  834    HA   THR 108           HA       THR 108 -13.758  -8.661  15.133
  835    HB   THR 108           HB       THR 108 -15.709  -6.474  14.400
  836    HG1  THR 108           HG1      THR 108 -12.872  -6.431  14.611
  837   HG21  THR 108          HG21      THR 108 -14.034  -6.963  16.869
  838   HG22  THR 108          HG22      THR 108 -15.771  -7.227  16.732
  839   HG23  THR 108          HG23      THR 108 -15.116  -5.594  16.614
  840    HA   PRO 109           HA       PRO 109 -17.469 -11.288  14.655
  841    HB2  PRO 109           HB2      PRO 109 -16.810 -13.021  16.640
  842    HB3  PRO 109           HB1      PRO 109 -16.162 -13.149  15.001
  843    HG2  PRO 109           HG2      PRO 109 -14.901 -11.989  17.453
  844    HG3  PRO 109           HG1      PRO 109 -14.178 -13.011  16.198
  845    HD2  PRO 109           HD2      PRO 109 -13.837 -10.320  16.287
  846    HD3  PRO 109           HD1      PRO 109 -13.852 -11.236  14.767
  847    H    GLY 110           H        GLY 110 -16.051  -9.984  17.613
  848    HA2  GLY 110           HA2      GLY 110 -18.689  -9.980  18.897
  849    HA3  GLY 110           HA1      GLY 110 -17.150  -9.703  19.701
  850    H    SER 111           H        SER 111 -18.658  -8.248  16.837
  851    HA   SER 111           HA       SER 111 -17.869  -5.615  17.565
  852    HB2  SER 111           HB2      SER 111 -19.474  -4.999  15.662
  853    HB3  SER 111           HB1      SER 111 -18.118  -6.044  15.241
  854    HG   SER 111           HG       SER 111 -19.742  -7.148  14.391
  855    H    ARG 112           H        ARG 112 -20.873  -7.446  17.725
  856    HA   ARG 112           HA       ARG 112 -22.789  -7.181  18.900
  857    HB2  ARG 112           HB2      ARG 112 -21.013  -5.612  20.775
  858    HB3  ARG 112           HB1      ARG 112 -22.581  -6.298  21.174
  859    HG2  ARG 112           HG2      ARG 112 -20.094  -7.831  20.442
  860    HG3  ARG 112           HG1      ARG 112 -20.816  -7.694  22.047
  861    HD2  ARG 112           HD2      ARG 112 -22.808  -8.844  21.275
  862    HD3  ARG 112           HD1      ARG 112 -22.159  -8.917  19.641
  863    HE   ARG 112           HE       ARG 112 -20.406 -10.153  21.509
  864   HH11  ARG 112          HH11      ARG 112 -23.367 -10.633  19.711
  865   HH12  ARG 112          HH12      ARG 112 -23.240 -12.364  19.713
  866   HH21  ARG 112          HH21      ARG 112 -20.233 -12.423  21.521
  867   HH22  ARG 112          HH22      ARG 112 -21.456 -13.382  20.748
  868    H    SER 113           H        SER 113 -23.507  -5.849  17.086
  869    HA   SER 113           HA       SER 113 -23.543  -2.993  17.415
  870    HB2  SER 113           HB2      SER 113 -25.080  -4.723  15.470
  871    HB3  SER 113           HB1      SER 113 -24.823  -2.986  15.348
  872    HG   SER 113           HG       SER 113 -22.524  -3.493  15.259
  873    H    HIS 114           H        HIS 114 -24.563  -3.622  19.688
  874    HA   HIS 114           HA       HIS 114 -27.492  -3.447  19.394
  875    HB2  HIS 114           HB2      HIS 114 -26.678  -5.399  20.702
  876    HB3  HIS 114           HB1      HIS 114 -25.896  -4.298  21.827
  877    HD1  HIS 114           HD1      HIS 114 -27.205  -4.088  23.897
  878    HD2  HIS 114           HD2      HIS 114 -29.661  -4.567  20.577
  879    HE1  HIS 114           HE1      HIS 114 -29.556  -4.026  24.783
  880    HE2  HIS 114           HE2      HIS 114 -31.020  -4.450  22.779
  881    H    HIS 115           H        HIS 115 -25.715  -1.307  18.964
  882    HA   HIS 115           HA       HIS 115 -26.614   0.533  21.061
  883    HB2  HIS 115           HB2      HIS 115 -24.414   1.717  20.936
  884    HB3  HIS 115           HB1      HIS 115 -24.293   0.100  21.614
  885    HD1  HIS 115           HD1      HIS 115 -22.851  -1.596  20.370
  886    HD2  HIS 115           HD2      HIS 115 -23.243   2.023  18.360
  887    HE1  HIS 115           HE1      HIS 115 -21.170  -1.674  18.499
  888    HE2  HIS 115           HE2      HIS 115 -21.380   0.553  17.333
  889    H    HIS 116           H        HIS 116 -27.768  -0.022  18.577
  890    HA   HIS 116           HA       HIS 116 -26.716   1.771  16.583
  891    HB2  HIS 116           HB2      HIS 116 -27.724  -0.542  16.169
  892    HB3  HIS 116           HB1      HIS 116 -29.292   0.220  16.405
  893    HD1  HIS 116           HD1      HIS 116 -26.246   1.277  14.370
  894    HD2  HIS 116           HD2      HIS 116 -30.331   0.618  13.952
  895    HE1  HIS 116           HE1      HIS 116 -26.775   1.789  11.965
  896    HE2  HIS 116           HE2      HIS 116 -29.204   1.179  11.695
  897    H    HIS 117           H        HIS 117 -27.352   3.345  18.647
  898    HA   HIS 117           HA       HIS 117 -29.826   4.698  17.825
  899    HB2  HIS 117           HB2      HIS 117 -28.036   5.054  20.228
  900    HB3  HIS 117           HB1      HIS 117 -29.284   6.219  19.803
  901    HD1  HIS 117           HD1      HIS 117 -31.548   5.780  20.727
  902    HD2  HIS 117           HD2      HIS 117 -29.166   2.376  20.756
  903    HE1  HIS 117           HE1      HIS 117 -32.877   4.036  21.957
  904    HE2  HIS 117           HE2      HIS 117 -31.356   2.035  22.092
  905    H    HIS 118           H        HIS 118 -28.968   5.289  15.819
  906    HA   HIS 118           HA       HIS 118 -27.903   6.572  14.296
  907    HB2  HIS 118           HB2      HIS 118 -28.694   8.419  15.847
  908    HB3  HIS 118           HB1      HIS 118 -27.084   8.399  16.556
  909    HD1  HIS 118           HD1      HIS 118 -28.631   8.823  13.105
  910    HD2  HIS 118           HD2      HIS 118 -25.378  10.116  15.344
  911    HE1  HIS 118           HE1      HIS 118 -27.443  10.506  11.663
  912    HE2  HIS 118           HE2      HIS 118 -25.582  11.396  13.109
  913    H    HIS 119           H        HIS 119 -26.626   4.395  15.560
  914    HA   HIS 119           HA       HIS 119 -23.876   5.028  14.853
  915    HB2  HIS 119           HB2      HIS 119 -24.711   3.809  17.486
  916    HB3  HIS 119           HB1      HIS 119 -23.106   3.556  16.809
  917    HD1  HIS 119           HD1      HIS 119 -21.540   5.653  16.678
  918    HD2  HIS 119           HD2      HIS 119 -25.133   6.276  18.669
  919    HE1  HIS 119           HE1      HIS 119 -21.258   7.820  17.912
  920    HE2  HIS 119           HE2      HIS 119 -23.391   8.109  19.222
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   1.556   7.231  10.133
    2    H2   GLY   1           HT2      GLY   1   1.458   6.652   8.549
    3    H3   GLY   1           HT3      GLY   1   0.110   6.574   9.563
    4    HA2  GLY   1           HA1      GLY   1  -0.108   8.367   7.960
    5    HA3  GLY   1           HA2      GLY   1  -0.067   8.955   9.617
    6    H    SER   2           H        SER   2   1.169  10.666   9.917
    7    HA   SER   2           HA       SER   2   3.066  11.436   7.874
    8    HB2  SER   2           HB2      SER   2   2.242  12.842  10.426
    9    HB3  SER   2           HB1      SER   2   3.208  13.546   9.128
   10    HG   SER   2           HG       SER   2   0.689  12.433   8.550
   11    H    GLN   3           H        GLN   3   4.577   9.674   8.260
   12    HA   GLN   3           HA       GLN   3   5.966   9.576  10.775
   13    HB2  GLN   3           HB2      GLN   3   6.466   8.205   8.135
   14    HB3  GLN   3           HB1      GLN   3   7.471   7.961   9.556
   15    HG2  GLN   3           HG2      GLN   3   5.505   7.155  10.785
   16    HG3  GLN   3           HG1      GLN   3   4.533   7.354   9.329
   17   HE21  GLN   3          HE21      GLN   3   7.838   6.223   9.254
   18   HE22  GLN   3          HE22      GLN   3   7.471   4.599   8.795
   19    H    THR   4           H        THR   4   6.457  11.125   7.684
   20    HA   THR   4           HA       THR   4   9.177  11.865   8.340
   21    HB   THR   4           HB       THR   4   7.520  12.888   6.031
   22    HG1  THR   4           HG1      THR   4   8.638  10.409   6.518
   23   HG21  THR   4          HG21      THR   4  10.504  12.641   6.451
   24   HG22  THR   4          HG22      THR   4   9.576  14.141   6.476
   25   HG23  THR   4          HG23      THR   4   9.720  13.217   4.981
   26    H    THR   5           H        THR   5   6.581  14.024   7.183
   27    HA   THR   5           HA       THR   5   6.836  15.615   9.616
   28    HB   THR   5           HB       THR   5   7.204  16.808   6.858
   29    HG1  THR   5           HG1      THR   5   8.952  15.864   8.754
   30   HG21  THR   5          HG21      THR   5   7.589  18.915   8.061
   31   HG22  THR   5          HG22      THR   5   7.200  18.113   9.583
   32   HG23  THR   5          HG23      THR   5   5.962  18.298   8.342
   33    H    ALA   6           H        ALA   6   5.378  16.168   6.408
   34    HA   ALA   6           HA       ALA   6   2.721  15.825   7.563
   35    HB1  ALA   6           HB1      ALA   6   3.537  18.358   6.140
   36    HB2  ALA   6           HB2      ALA   6   3.239  18.202   7.871
   37    HB3  ALA   6           HB3      ALA   6   1.920  17.964   6.724
   38    HA   PRO   7           HA       PRO   7   3.013  14.519   3.119
   39    HB2  PRO   7           HB2      PRO   7   3.488  11.887   3.326
   40    HB3  PRO   7           HB1      PRO   7   4.795  13.075   3.394
   41    HG2  PRO   7           HG2      PRO   7   3.596  11.466   5.563
   42    HG3  PRO   7           HG1      PRO   7   5.223  12.153   5.435
   43    HD2  PRO   7           HD2      PRO   7   2.993  13.198   6.878
   44    HD3  PRO   7           HD1      PRO   7   4.596  13.928   6.681
   45    H    ASP   8           H        ASP   8   1.283  13.739   1.994
   46    HA   ASP   8           HA       ASP   8  -1.066  13.036   3.525
   47    HB2  ASP   8           HB2      ASP   8  -0.651  13.482   0.562
   48    HB3  ASP   8           HB1      ASP   8  -2.209  13.108   1.295
   49    H    ALA   9           H        ALA   9   0.517  11.098   4.051
   50    HA   ALA   9           HA       ALA   9   0.528   8.919   2.208
   51    HB1  ALA   9           HB1      ALA   9   1.455   7.640   4.053
   52    HB2  ALA   9           HB2      ALA   9   1.051   8.938   5.176
   53    HB3  ALA   9           HB3      ALA   9   2.258   9.204   3.918
   54    HA   PRO  10           HA       PRO  10  -3.589   7.331   2.976
   55    HB2  PRO  10           HB2      PRO  10  -2.296   4.759   2.250
   56    HB3  PRO  10           HB1      PRO  10  -3.727   5.530   1.559
   57    HG2  PRO  10           HG2      PRO  10  -1.416   5.494   0.232
   58    HG3  PRO  10           HG1      PRO  10  -2.477   6.915   0.184
   59    HD2  PRO  10           HD2      PRO  10   0.039   6.488   1.727
   60    HD3  PRO  10           HD1      PRO  10  -0.540   7.934   0.917
   61    HA   PRO  11           HA       PRO  11  -2.875   5.938   7.183
   62    HB2  PRO  11           HB2      PRO  11  -5.780   5.363   7.004
   63    HB3  PRO  11           HB1      PRO  11  -4.894   6.326   8.191
   64    HG2  PRO  11           HG2      PRO  11  -6.393   7.500   6.327
   65    HG3  PRO  11           HG1      PRO  11  -4.842   8.199   6.831
   66    HD2  PRO  11           HD2      PRO  11  -5.507   6.642   4.364
   67    HD3  PRO  11           HD1      PRO  11  -4.453   8.057   4.557
   68    H    ASP  12           H        ASP  12  -3.642   4.003   8.483
   69    HA   ASP  12           HA       ASP  12  -2.493   1.733   7.519
   70    HB2  ASP  12           HB2      ASP  12  -3.006   2.092   9.882
   71    HB3  ASP  12           HB1      ASP  12  -4.723   1.900   9.552
   72    HA   PRO  13           HA       PRO  13  -5.543   0.298   4.537
   73    HB2  PRO  13           HB2      PRO  13  -3.587  -1.870   4.174
   74    HB3  PRO  13           HB1      PRO  13  -4.208  -0.716   2.991
   75    HG2  PRO  13           HG2      PRO  13  -1.686  -0.582   3.904
   76    HG3  PRO  13           HG1      PRO  13  -2.618   0.875   3.508
   77    HD2  PRO  13           HD2      PRO  13  -2.053  -0.345   6.188
   78    HD3  PRO  13           HD1      PRO  13  -2.041   1.362   5.699
   79    H    THR  14           H        THR  14  -7.233  -0.804   5.209
   80    HA   THR  14           HA       THR  14  -6.841  -2.982   7.143
   81    HB   THR  14           HB       THR  14  -9.432  -1.588   6.497
   82    HG1  THR  14           HG1      THR  14  -7.428  -0.362   7.482
   83   HG21  THR  14          HG21      THR  14  -9.646  -3.726   7.651
   84   HG22  THR  14          HG22      THR  14 -10.073  -2.403   8.734
   85   HG23  THR  14          HG23      THR  14  -8.505  -3.193   8.884
   86    H    VAL  15           H        VAL  15  -7.362  -5.014   6.590
   87    HA   VAL  15           HA       VAL  15  -8.440  -5.431   3.918
   88    HB   VAL  15           HB       VAL  15  -7.156  -7.379   5.843
   89   HG11  VAL  15          HG11      VAL  15  -8.812  -8.517   4.472
   90   HG12  VAL  15          HG12      VAL  15  -7.181  -8.968   3.973
   91   HG13  VAL  15          HG13      VAL  15  -8.109  -7.814   3.016
   92   HG21  VAL  15          HG21      VAL  15  -6.155  -6.183   3.258
   93   HG22  VAL  15          HG22      VAL  15  -5.311  -7.383   4.235
   94   HG23  VAL  15          HG23      VAL  15  -5.597  -5.766   4.878
   95    H    ASP  16           H        ASP  16 -10.536  -5.592   3.744
   96    HA   ASP  16           HA       ASP  16 -12.087  -6.851   5.908
   97    HB2  ASP  16           HB2      ASP  16 -12.893  -4.901   3.741
   98    HB3  ASP  16           HB1      ASP  16 -14.068  -5.786   4.705
   99    H    GLN  17           H        GLN  17 -13.720  -8.353   5.345
  100    HA   GLN  17           HA       GLN  17 -14.624 -10.122   4.251
  101    HB2  GLN  17           HB2      GLN  17 -14.061  -8.405   1.830
  102    HB3  GLN  17           HB1      GLN  17 -15.127  -9.784   1.857
  103    HG2  GLN  17           HG2      GLN  17 -16.667  -8.699   3.280
  104    HG3  GLN  17           HG1      GLN  17 -15.527  -7.397   3.621
  105   HE21  GLN  17          HE21      GLN  17 -15.202  -5.794   2.103
  106   HE22  GLN  17          HE22      GLN  17 -16.269  -5.550   0.766
  107    H    VAL  18           H        VAL  18 -12.621 -11.239   4.970
  108    HA   VAL  18           HA       VAL  18 -10.659 -11.802   2.907
  109    HB   VAL  18           HB       VAL  18 -10.913 -12.951   5.692
  110   HG11  VAL  18          HG11      VAL  18  -8.584 -13.631   5.409
  111   HG12  VAL  18          HG12      VAL  18  -8.597 -13.008   3.762
  112   HG13  VAL  18          HG13      VAL  18  -9.618 -14.380   4.193
  113   HG21  VAL  18          HG21      VAL  18  -9.128 -11.385   6.299
  114   HG22  VAL  18          HG22      VAL  18 -10.578 -10.542   5.757
  115   HG23  VAL  18          HG23      VAL  18  -9.192 -10.693   4.678
  116    H    ASP  19           H        ASP  19 -11.014 -13.311   1.423
  117    HA   ASP  19           HA       ASP  19 -12.920 -15.473   1.933
  118    HB2  ASP  19           HB2      ASP  19 -11.399 -14.782  -0.597
  119    HB3  ASP  19           HB1      ASP  19 -12.673 -15.983  -0.456
  120    H    ASP  20           H        ASP  20 -11.766 -17.380   0.179
  121    HA   ASP  20           HA       ASP  20  -9.741 -18.507   1.889
  122    HB2  ASP  20           HB2      ASP  20 -10.816 -19.470  -0.774
  123    HB3  ASP  20           HB1      ASP  20  -9.708 -20.375   0.248
  124    H    THR  21           H        THR  21  -9.873 -17.290  -1.448
  125    HA   THR  21           HA       THR  21  -6.932 -17.147  -1.402
  126    HB   THR  21           HB       THR  21  -7.048 -17.498  -3.894
  127    HG1  THR  21           HG1      THR  21  -9.588 -18.656  -3.498
  128   HG21  THR  21          HG21      THR  21  -6.369 -19.296  -2.406
  129   HG22  THR  21          HG22      THR  21  -7.359 -19.940  -3.721
  130   HG23  THR  21          HG23      THR  21  -8.058 -19.721  -2.117
  131    H    SER  22           H        SER  22  -9.378 -15.161  -1.083
  132    HA   SER  22           HA       SER  22  -8.058 -13.035  -2.572
  133    HB2  SER  22           HB2      SER  22 -10.305 -12.201  -3.381
  134    HB3  SER  22           HB1      SER  22  -9.731 -13.679  -4.153
  135    HG   SER  22           HG       SER  22 -11.678 -13.439  -2.089
  136    H    ILE  23           H        ILE  23  -8.435 -10.950  -1.766
  137    HA   ILE  23           HA       ILE  23 -10.088 -10.706   0.652
  138    HB   ILE  23           HB       ILE  23  -8.396  -9.396   1.805
  139   HG12  ILE  23          HG12      ILE  23  -6.380 -10.150  -0.295
  140   HG13  ILE  23          HG11      ILE  23  -7.334  -8.679  -0.443
  141   HG21  ILE  23          HG21      ILE  23  -6.777 -11.140   2.343
  142   HG22  ILE  23          HG22      ILE  23  -7.276 -12.044   0.914
  143   HG23  ILE  23          HG23      ILE  23  -8.414 -11.785   2.235
  144   HD11  ILE  23          HD11      ILE  23  -6.465  -8.107   1.889
  145   HD12  ILE  23          HD12      ILE  23  -5.349  -7.983   0.532
  146   HD13  ILE  23          HD13      ILE  23  -5.276  -9.381   1.611
  147    H    VAL  24           H        VAL  24 -10.617  -8.441   1.143
  148    HA   VAL  24           HA       VAL  24 -10.192  -6.645  -1.152
  149    HB   VAL  24           HB       VAL  24 -12.214  -6.338   1.083
  150   HG11  VAL  24          HG11      VAL  24 -11.877  -4.835  -1.512
  151   HG12  VAL  24          HG12      VAL  24 -11.525  -4.218   0.101
  152   HG13  VAL  24          HG13      VAL  24 -13.185  -4.603  -0.352
  153   HG21  VAL  24          HG21      VAL  24 -13.905  -6.957  -0.572
  154   HG22  VAL  24          HG22      VAL  24 -12.752  -8.266  -0.313
  155   HG23  VAL  24          HG23      VAL  24 -12.636  -7.262  -1.758
  156    H    VAL  25           H        VAL  25  -8.339  -5.603  -0.783
  157    HA   VAL  25           HA       VAL  25  -7.688  -4.736   1.927
  158    HB   VAL  25           HB       VAL  25  -5.850  -5.819   0.885
  159   HG11  VAL  25          HG11      VAL  25  -6.272  -4.007  -1.477
  160   HG12  VAL  25          HG12      VAL  25  -6.500  -5.757  -1.410
  161   HG13  VAL  25          HG13      VAL  25  -4.883  -5.072  -1.260
  162   HG21  VAL  25          HG21      VAL  25  -5.240  -3.829   2.148
  163   HG22  VAL  25          HG22      VAL  25  -5.359  -2.856   0.681
  164   HG23  VAL  25          HG23      VAL  25  -4.125  -4.112   0.810
  165    H    ARG  26           H        ARG  26  -8.242  -2.806   2.573
  166    HA   ARG  26           HA       ARG  26  -8.934  -0.794   0.537
  167    HB2  ARG  26           HB2      ARG  26 -10.005  -1.109   3.347
  168    HB3  ARG  26           HB1      ARG  26 -10.538   0.076   2.163
  169    HG2  ARG  26           HG2      ARG  26 -11.455  -1.638   0.766
  170    HG3  ARG  26           HG1      ARG  26 -10.768  -2.900   1.789
  171    HD2  ARG  26           HD2      ARG  26 -13.164  -2.570   2.209
  172    HD3  ARG  26           HD1      ARG  26 -12.182  -2.220   3.631
  173    HE   ARG  26           HE       ARG  26 -12.868   0.056   1.967
  174   HH11  ARG  26          HH11      ARG  26 -13.588  -1.853   4.814
  175   HH12  ARG  26          HH12      ARG  26 -14.570  -0.616   5.541
  176   HH21  ARG  26          HH21      ARG  26 -14.126   1.691   2.930
  177   HH22  ARG  26          HH22      ARG  26 -14.874   1.404   4.471
  178    H    TRP  27           H        TRP  27  -8.167   1.256   0.724
  179    HA   TRP  27           HA       TRP  27  -6.490   1.846   3.064
  180    HB2  TRP  27           HB2      TRP  27  -5.195   3.377   1.478
  181    HB3  TRP  27           HB1      TRP  27  -4.937   1.647   1.301
  182    HD1  TRP  27           HD1      TRP  27  -6.609   4.615  -0.474
  183    HE1  TRP  27           HE1      TRP  27  -6.983   3.977  -2.943
  184    HE3  TRP  27           HE3      TRP  27  -5.217  -0.299  -0.260
  185    HZ2  TRP  27           HZ2      TRP  27  -6.708   1.698  -4.575
  186    HZ3  TRP  27           HZ3      TRP  27  -5.297  -1.639  -2.321
  187    HH2  TRP  27           HH2      TRP  27  -6.028  -0.657  -4.432
  188    H    SER  28           H        SER  28  -6.883   3.670   4.111
  189    HA   SER  28           HA       SER  28  -9.344   5.016   3.584
  190    HB2  SER  28           HB2      SER  28  -7.223   5.721   5.619
  191    HB3  SER  28           HB1      SER  28  -8.936   6.131   5.676
  192    HG   SER  28           HG       SER  28  -9.125   4.345   6.757
  193    H    ARG  29           H        ARG  29  -9.566   7.351   3.413
  194    HA   ARG  29           HA       ARG  29  -7.694   8.495   1.564
  195    HB2  ARG  29           HB2      ARG  29 -10.236   9.475   2.842
  196    HB3  ARG  29           HB1      ARG  29  -9.217  10.561   1.905
  197    HG2  ARG  29           HG2      ARG  29 -10.290   7.969   0.827
  198    HG3  ARG  29           HG1      ARG  29 -11.118   9.519   0.651
  199    HD2  ARG  29           HD2      ARG  29  -9.402  10.410  -0.676
  200    HD3  ARG  29           HD1      ARG  29  -8.262   9.154  -0.199
  201    HE   ARG  29           HE       ARG  29 -10.552   8.137  -1.602
  202   HH11  ARG  29          HH11      ARG  29  -7.423   9.656  -2.018
  203   HH12  ARG  29          HH12      ARG  29  -7.113   8.892  -3.543
  204   HH21  ARG  29          HH21      ARG  29 -10.139   7.127  -3.612
  205   HH22  ARG  29          HH22      ARG  29  -8.660   7.469  -4.465
  206    HA   PRO  30           HA       PRO  30  -4.941  10.101   4.641
  207    HB2  PRO  30           HB2      PRO  30  -3.695  11.922   2.986
  208    HB3  PRO  30           HB1      PRO  30  -3.273  10.211   3.094
  209    HG2  PRO  30           HG2      PRO  30  -4.953  11.629   1.076
  210    HG3  PRO  30           HG1      PRO  30  -3.793  10.310   0.844
  211    HD2  PRO  30           HD2      PRO  30  -6.452   9.888   0.860
  212    HD3  PRO  30           HD1      PRO  30  -5.310   8.694   1.495
  213    H1   MET  31           HT1      MET  31 -17.204  15.313  -2.684
  214    H2   MET  31           HT2      MET  31 -18.709  15.633  -3.375
  215    H3   MET  31           HT3      MET  31 -18.181  14.038  -3.204
  216    HA   MET  31           HA       MET  31 -19.840  14.609  -1.549
  217    HB2  MET  31           HB2      MET  31 -17.047  14.160  -0.481
  218    HB3  MET  31           HB1      MET  31 -18.509  13.975   0.473
  219    HG2  MET  31           HG2      MET  31 -17.774  12.381  -1.971
  220    HG3  MET  31           HG1      MET  31 -17.682  11.830  -0.300
  221    HE1  MET  31           HE1      MET  31 -19.096   9.682  -0.882
  222    HE2  MET  31           HE2      MET  31 -19.198  10.193  -2.568
  223    HE3  MET  31           HE3      MET  31 -20.659   9.723  -1.700
  224    H    ARG  32           H        ARG  32 -16.852  16.131  -0.329
  225    HA   ARG  32           HA       ARG  32 -18.422  18.305   0.774
  226    HB2  ARG  32           HB2      ARG  32 -15.470  17.666   0.866
  227    HB3  ARG  32           HB1      ARG  32 -16.159  19.118   1.574
  228    HG2  ARG  32           HG2      ARG  32 -17.558  17.725   3.033
  229    HG3  ARG  32           HG1      ARG  32 -16.806  16.284   2.349
  230    HD2  ARG  32           HD2      ARG  32 -14.628  17.023   3.157
  231    HD3  ARG  32           HD1      ARG  32 -15.356  18.492   3.805
  232    HE   ARG  32           HE       ARG  32 -16.710  16.340   4.930
  233   HH11  ARG  32          HH11      ARG  32 -13.470  17.672   4.952
  234   HH12  ARG  32          HH12      ARG  32 -13.118  17.111   6.554
  235   HH21  ARG  32          HH21      ARG  32 -16.238  15.574   7.025
  236   HH22  ARG  32          HH22      ARG  32 -14.686  15.901   7.729
  237    H    GLY  33           H        GLY  33 -19.096  18.819  -1.500
  238    HA2  GLY  33           HA2      GLY  33 -18.945  20.697  -2.964
  239    HA3  GLY  33           HA1      GLY  33 -17.204  20.716  -2.707
  240    H    SER  34           H        SER  34 -18.524  20.726  -5.242
  241    HA   SER  34           HA       SER  34 -18.370  18.078  -6.333
  242    HB2  SER  34           HB2      SER  34 -19.932  19.796  -7.226
  243    HB3  SER  34           HB1      SER  34 -18.546  20.739  -7.772
  244    HG   SER  34           HG       SER  34 -19.367  19.464  -9.456
  245    H    ASN  35           H        ASN  35 -16.523  17.093  -6.709
  246    HA   ASN  35           HA       ASN  35 -14.358  16.662  -7.222
  247    HB2  ASN  35           HB2      ASN  35 -14.891  19.009  -9.037
  248    HB3  ASN  35           HB1      ASN  35 -13.348  18.163  -9.036
  249   HD21  ASN  35          HD21      ASN  35 -13.235  16.070  -9.812
  250   HD22  ASN  35          HD22      ASN  35 -14.503  15.365 -10.753
  251    H    ALA  36           H        ALA  36 -14.077  17.361  -4.922
  252    HA   ALA  36           HA       ALA  36 -12.932  19.871  -4.300
  253    HB1  ALA  36           HB1      ALA  36 -13.948  18.428  -2.605
  254    HB2  ALA  36           HB2      ALA  36 -12.285  18.833  -2.184
  255    HB3  ALA  36           HB3      ALA  36 -12.665  17.242  -2.842
  256    HA   PRO  37           HA       PRO  37  -9.106  19.309  -6.547
  257    HB2  PRO  37           HB2      PRO  37  -8.331  21.486  -4.657
  258    HB3  PRO  37           HB1      PRO  37  -8.100  21.381  -6.405
  259    HG2  PRO  37           HG2      PRO  37 -10.013  22.919  -5.398
  260    HG3  PRO  37           HG1      PRO  37 -10.305  21.957  -6.861
  261    HD2  PRO  37           HD2      PRO  37 -11.232  21.484  -4.064
  262    HD3  PRO  37           HD1      PRO  37 -12.057  21.153  -5.600
  263    H    GLN  38           H        GLN  38  -7.747  17.720  -6.106
  264    HA   GLN  38           HA       GLN  38  -6.853  17.281  -3.351
  265    HB2  GLN  38           HB2      GLN  38  -6.686  15.540  -5.815
  266    HB3  GLN  38           HB1      GLN  38  -6.008  15.106  -4.253
  267    HG2  GLN  38           HG2      GLN  38  -8.921  15.600  -4.827
  268    HG3  GLN  38           HG1      GLN  38  -8.155  14.022  -4.649
  269   HE21  GLN  38          HE21      GLN  38  -9.293  16.858  -3.030
  270   HE22  GLN  38          HE22      GLN  38  -9.163  16.241  -1.418
  271    HA   PRO  39           HA       PRO  39  -3.105  19.435  -4.740
  272    HB2  PRO  39           HB2      PRO  39  -2.365  18.950  -1.918
  273    HB3  PRO  39           HB1      PRO  39  -2.406  20.465  -2.824
  274    HG2  PRO  39           HG2      PRO  39  -4.242  19.911  -0.958
  275    HG3  PRO  39           HG1      PRO  39  -4.662  20.788  -2.441
  276    HD2  PRO  39           HD2      PRO  39  -5.132  17.916  -1.737
  277    HD3  PRO  39           HD1      PRO  39  -6.193  19.058  -2.588
  278    H    SER  40           H        SER  40  -3.106  16.678  -2.485
  279    HA   SER  40           HA       SER  40  -0.568  15.683  -3.181
  280    HB2  SER  40           HB2      SER  40  -1.442  13.538  -2.193
  281    HB3  SER  40           HB1      SER  40  -1.640  14.944  -1.145
  282    HG   SER  40           HG       SER  40  -3.709  14.603  -1.193
  283    H    HIS  41           H        HIS  41  -3.813  14.671  -4.174
  284    HA   HIS  41           HA       HIS  41  -4.622  13.585  -5.984
  285    HB2  HIS  41           HB2      HIS  41  -4.054  15.686  -7.064
  286    HB3  HIS  41           HB1      HIS  41  -2.404  15.140  -7.325
  287    HD1  HIS  41           HD1      HIS  41  -5.929  14.157  -8.380
  288    HD2  HIS  41           HD2      HIS  41  -2.008  13.997  -9.749
  289    HE1  HIS  41           HE1      HIS  41  -6.062  13.207 -10.703
  290    HE2  HIS  41           HE2      HIS  41  -3.693  13.239 -11.559
  291    H    ILE  42           H        ILE  42  -3.956  11.555  -5.075
  292    HA   ILE  42           HA       ILE  42  -1.544  10.287  -5.840
  293    HB   ILE  42           HB       ILE  42  -4.165   9.060  -4.955
  294   HG12  ILE  42          HG12      ILE  42  -2.767   8.567  -2.869
  295   HG13  ILE  42          HG11      ILE  42  -1.592   9.708  -3.506
  296   HG21  ILE  42          HG21      ILE  42  -2.925   7.470  -6.297
  297   HG22  ILE  42          HG22      ILE  42  -2.871   6.998  -4.599
  298   HG23  ILE  42          HG23      ILE  42  -1.469   7.765  -5.346
  299   HD11  ILE  42          HD11      ILE  42  -3.240  11.486  -3.404
  300   HD12  ILE  42          HD12      ILE  42  -3.047  10.716  -1.829
  301   HD13  ILE  42          HD13      ILE  42  -4.454  10.345  -2.827
  302    H    SER  43           H        SER  43  -0.992   9.814  -7.821
  303    HA   SER  43           HA       SER  43  -2.818   9.774  -9.997
  304    HB2  SER  43           HB2      SER  43   0.084   8.922  -9.822
  305    HB3  SER  43           HB1      SER  43  -0.815   9.161 -11.322
  306    HG   SER  43           HG       SER  43  -1.147  11.360 -10.606
  307    H    LYS  44           H        LYS  44  -1.154   7.297  -8.119
  308    HA   LYS  44           HA       LYS  44  -3.094   5.326  -8.808
  309    HB2  LYS  44           HB2      LYS  44  -1.528   3.735  -9.892
  310    HB3  LYS  44           HB1      LYS  44  -1.821   5.172 -10.860
  311    HG2  LYS  44           HG2      LYS  44   0.320   6.099 -10.166
  312    HG3  LYS  44           HG1      LYS  44   0.611   4.686  -9.147
  313    HD2  LYS  44           HD2      LYS  44   0.580   3.247 -11.115
  314    HD3  LYS  44           HD1      LYS  44   0.245   4.641 -12.142
  315    HE2  LYS  44           HE2      LYS  44   2.708   4.331 -10.434
  316    HE3  LYS  44           HE1      LYS  44   2.627   3.924 -12.146
  317    HZ1  LYS  44           HZ1      LYS  44   2.054   6.235 -12.612
  318    HZ2  LYS  44           HZ2      LYS  44   3.551   6.112 -11.843
  319    HZ3  LYS  44           HZ3      LYS  44   2.195   6.618 -10.973
  320    H    TYR  45           H        TYR  45  -2.927   3.460  -7.562
  321    HA   TYR  45           HA       TYR  45  -0.977   3.592  -5.359
  322    HB2  TYR  45           HB2      TYR  45  -3.676   2.233  -5.536
  323    HB3  TYR  45           HB1      TYR  45  -2.567   2.041  -4.186
  324    HD1  TYR  45           HD1      TYR  45  -5.198   4.013  -5.591
  325    HD2  TYR  45           HD2      TYR  45  -1.941   4.127  -2.863
  326    HE1  TYR  45           HE1      TYR  45  -6.195   5.973  -4.491
  327    HE2  TYR  45           HE2      TYR  45  -2.928   6.087  -1.753
  328    HH   TYR  45           HH       TYR  45  -4.486   7.876  -2.221
  329    H    ILE  46           H        ILE  46   0.526   2.036  -5.223
  330    HA   ILE  46           HA       ILE  46   0.245  -0.265  -7.032
  331    HB   ILE  46           HB       ILE  46   2.707   1.046  -5.886
  332   HG12  ILE  46          HG12      ILE  46   3.352   0.984  -8.357
  333   HG13  ILE  46          HG11      ILE  46   1.681   0.538  -8.677
  334   HG21  ILE  46          HG21      ILE  46   4.048  -0.732  -6.893
  335   HG22  ILE  46          HG22      ILE  46   2.575  -1.598  -7.324
  336   HG23  ILE  46          HG23      ILE  46   2.992  -1.354  -5.627
  337   HD11  ILE  46          HD11      ILE  46   0.943   2.632  -7.645
  338   HD12  ILE  46          HD12      ILE  46   2.014   2.902  -9.019
  339   HD13  ILE  46          HD13      ILE  46   2.626   3.078  -7.374
  340    H    LEU  47           H        LEU  47  -0.365  -2.069  -6.131
  341    HA   LEU  47           HA       LEU  47   0.125  -2.519  -3.274
  342    HB2  LEU  47           HB2      LEU  47  -2.182  -2.761  -4.563
  343    HB3  LEU  47           HB1      LEU  47  -1.533  -4.320  -5.013
  344    HG   LEU  47           HG       LEU  47  -3.003  -4.610  -3.143
  345   HD11  LEU  47          HD11      LEU  47  -1.111  -6.060  -3.086
  346   HD12  LEU  47          HD12      LEU  47  -1.501  -5.564  -1.442
  347   HD13  LEU  47          HD13      LEU  47  -0.131  -4.836  -2.282
  348   HD21  LEU  47          HD21      LEU  47  -2.954  -2.327  -2.293
  349   HD22  LEU  47          HD22      LEU  47  -1.321  -2.584  -1.677
  350   HD23  LEU  47          HD23      LEU  47  -2.672  -3.499  -1.007
  351    H    ARG  48           H        ARG  48   1.963  -3.596  -2.867
  352    HA   ARG  48           HA       ARG  48   2.634  -5.845  -4.646
  353    HB2  ARG  48           HB2      ARG  48   4.556  -4.114  -3.079
  354    HB3  ARG  48           HB1      ARG  48   5.001  -5.532  -4.017
  355    HG2  ARG  48           HG2      ARG  48   4.023  -4.346  -6.024
  356    HG3  ARG  48           HG1      ARG  48   3.965  -2.903  -5.015
  357    HD2  ARG  48           HD2      ARG  48   6.398  -4.482  -5.820
  358    HD3  ARG  48           HD1      ARG  48   5.985  -2.829  -6.274
  359    HE   ARG  48           HE       ARG  48   6.117  -2.629  -3.625
  360   HH11  ARG  48          HH11      ARG  48   8.307  -4.101  -5.921
  361   HH12  ARG  48          HH12      ARG  48   9.721  -3.791  -4.968
  362   HH21  ARG  48          HH21      ARG  48   7.997  -2.213  -2.367
  363   HH22  ARG  48          HH22      ARG  48   9.546  -2.716  -2.957
  364    H    TRP  49           H        TRP  49   2.659  -7.779  -3.735
  365    HA   TRP  49           HA       TRP  49   2.975  -7.996  -0.835
  366    HB2  TRP  49           HB2      TRP  49   0.998  -9.331  -0.560
  367    HB3  TRP  49           HB1      TRP  49   0.529  -7.839  -1.363
  368    HD1  TRP  49           HD1      TRP  49   0.435 -11.564  -1.749
  369    HE1  TRP  49           HE1      TRP  49  -0.706 -12.187  -3.970
  370    HE3  TRP  49           HE3      TRP  49   0.291  -6.939  -3.917
  371    HZ2  TRP  49           HZ2      TRP  49  -1.551 -10.891  -6.323
  372    HZ3  TRP  49           HZ3      TRP  49  -0.714  -6.711  -6.149
  373    HH2  TRP  49           HH2      TRP  49  -1.613  -8.649  -7.330
  374    H    ARG  50           H        ARG  50   3.422 -10.160  -0.113
  375    HA   ARG  50           HA       ARG  50   3.845 -12.253  -2.047
  376    HB2  ARG  50           HB2      ARG  50   6.219 -12.591  -1.565
  377    HB3  ARG  50           HB1      ARG  50   5.965 -10.996  -2.257
  378    HG2  ARG  50           HG2      ARG  50   6.215  -9.984  -0.106
  379    HG3  ARG  50           HG1      ARG  50   6.269 -11.569   0.673
  380    HD2  ARG  50           HD2      ARG  50   8.280 -12.024  -0.863
  381    HD3  ARG  50           HD1      ARG  50   8.312 -10.272  -1.096
  382    HE   ARG  50           HE       ARG  50   8.192 -11.100   1.652
  383   HH11  ARG  50          HH11      ARG  50  10.335 -10.405  -1.036
  384   HH12  ARG  50          HH12      ARG  50  11.687 -10.024  -0.018
  385   HH21  ARG  50          HH21      ARG  50   9.949 -10.599   2.982
  386   HH22  ARG  50          HH22      ARG  50  11.468 -10.129   2.282
  387    HA   PRO  51           HA       PRO  51   2.809 -14.594   1.566
  388    HB2  PRO  51           HB2      PRO  51   3.794 -17.023   0.823
  389    HB3  PRO  51           HB1      PRO  51   2.294 -16.350   0.175
  390    HG2  PRO  51           HG2      PRO  51   5.030 -16.393  -1.031
  391    HG3  PRO  51           HG1      PRO  51   3.462 -16.688  -1.802
  392    HD2  PRO  51           HD2      PRO  51   4.774 -14.331  -2.021
  393    HD3  PRO  51           HD1      PRO  51   3.002 -14.441  -2.015
  394    H    LYS  52           H        LYS  52   3.744 -15.166   3.459
  395    HA   LYS  52           HA       LYS  52   6.351 -14.317   4.021
  396    HB2  LYS  52           HB2      LYS  52   4.298 -15.890   5.507
  397    HB3  LYS  52           HB1      LYS  52   5.914 -15.740   6.178
  398    HG2  LYS  52           HG2      LYS  52   4.110 -13.439   5.448
  399    HG3  LYS  52           HG1      LYS  52   4.356 -14.070   7.077
  400    HD2  LYS  52           HD2      LYS  52   6.532 -12.936   5.322
  401    HD3  LYS  52           HD1      LYS  52   5.699 -12.045   6.592
  402    HE2  LYS  52           HE2      LYS  52   7.275 -14.578   7.028
  403    HE3  LYS  52           HE1      LYS  52   7.908 -12.955   7.281
  404    HZ1  LYS  52           HZ1      LYS  52   7.167 -13.911   9.352
  405    HZ2  LYS  52           HZ2      LYS  52   5.619 -14.180   8.729
  406    HZ3  LYS  52           HZ3      LYS  52   6.179 -12.599   8.951
  407    H    ASN  53           H        ASN  53   5.240 -17.307   2.791
  408    HA   ASN  53           HA       ASN  53   7.549 -18.797   3.681
  409    HB2  ASN  53           HB2      ASN  53   6.597 -20.672   2.498
  410    HB3  ASN  53           HB1      ASN  53   5.315 -19.870   3.396
  411   HD21  ASN  53          HD21      ASN  53   6.684 -20.425   0.265
  412   HD22  ASN  53          HD22      ASN  53   5.289 -19.991  -0.656
  413    H    SER  54           H        SER  54   7.040 -16.531   1.315
  414    HA   SER  54           HA       SER  54   9.331 -17.555  -0.219
  415    HB2  SER  54           HB2      SER  54   7.018 -15.994  -1.391
  416    HB3  SER  54           HB1      SER  54   8.400 -16.658  -2.262
  417    HG   SER  54           HG       SER  54   7.605 -18.760  -1.355
  418    H    VAL  55           H        VAL  55  11.005 -16.235  -0.030
  419    HA   VAL  55           HA       VAL  55  10.570 -13.449   0.721
  420    HB   VAL  55           HB       VAL  55  12.105 -14.970   2.036
  421   HG11  VAL  55          HG11      VAL  55  14.380 -15.313   1.158
  422   HG12  VAL  55          HG12      VAL  55  13.849 -14.689  -0.402
  423   HG13  VAL  55          HG13      VAL  55  13.152 -16.178   0.234
  424   HG21  VAL  55          HG21      VAL  55  13.281 -12.463   0.872
  425   HG22  VAL  55          HG22      VAL  55  13.830 -13.260   2.346
  426   HG23  VAL  55          HG23      VAL  55  12.208 -12.573   2.264
  427    H    GLY  56           H        GLY  56  10.259 -14.704  -2.003
  428    HA2  GLY  56           HA2      GLY  56  12.457 -13.587  -3.536
  429    HA3  GLY  56           HA1      GLY  56  11.132 -14.554  -4.163
  430    H    ARG  57           H        ARG  57   9.996 -13.465  -5.578
  431    HA   ARG  57           HA       ARG  57  10.223 -10.627  -5.800
  432    HB2  ARG  57           HB2      ARG  57   8.589 -12.640  -7.336
  433    HB3  ARG  57           HB1      ARG  57   8.660 -10.931  -7.736
  434    HG2  ARG  57           HG2      ARG  57  11.067 -11.122  -8.109
  435    HG3  ARG  57           HG1      ARG  57  10.981 -12.844  -7.727
  436    HD2  ARG  57           HD2      ARG  57   9.465 -13.192  -9.601
  437    HD3  ARG  57           HD1      ARG  57   9.512 -11.470  -9.972
  438    HE   ARG  57           HE       ARG  57  12.134 -12.412  -9.982
  439   HH11  ARG  57          HH11      ARG  57   9.177 -12.886 -11.793
  440   HH12  ARG  57          HH12      ARG  57   9.998 -13.254 -13.280
  441   HH21  ARG  57          HH21      ARG  57  13.215 -12.886 -11.928
  442   HH22  ARG  57          HH22      ARG  57  12.299 -13.245 -13.357
  443    H    TRP  58           H        TRP  58   8.661  -9.076  -5.669
  444    HA   TRP  58           HA       TRP  58   6.326  -9.680  -4.035
  445    HB2  TRP  58           HB2      TRP  58   7.440  -7.061  -5.068
  446    HB3  TRP  58           HB1      TRP  58   6.007  -7.204  -4.059
  447    HD1  TRP  58           HD1      TRP  58   9.823  -7.551  -3.895
  448    HE1  TRP  58           HE1      TRP  58  10.546  -7.439  -1.425
  449    HE3  TRP  58           HE3      TRP  58   5.208  -7.602  -1.708
  450    HZ2  TRP  58           HZ2      TRP  58   9.308  -7.383   1.113
  451    HZ3  TRP  58           HZ3      TRP  58   5.064  -7.517   0.745
  452    HH2  TRP  58           HH2      TRP  58   7.075  -7.410   2.124
  453    H    LYS  59           H        LYS  59   4.314  -9.842  -4.865
  454    HA   LYS  59           HA       LYS  59   3.954  -9.685  -7.719
  455    HB2  LYS  59           HB2      LYS  59   1.839 -10.037  -5.587
  456    HB3  LYS  59           HB1      LYS  59   1.692 -10.424  -7.295
  457    HG2  LYS  59           HG2      LYS  59   3.480 -12.128  -6.997
  458    HG3  LYS  59           HG1      LYS  59   3.422 -11.806  -5.264
  459    HD2  LYS  59           HD2      LYS  59   1.028 -12.408  -5.268
  460    HD3  LYS  59           HD1      LYS  59   1.156 -12.808  -6.981
  461    HE2  LYS  59           HE2      LYS  59   2.590 -14.137  -4.690
  462    HE3  LYS  59           HE1      LYS  59   1.304 -14.822  -5.681
  463    HZ1  LYS  59           HZ1      LYS  59   2.808 -14.645  -7.608
  464    HZ2  LYS  59           HZ2      LYS  59   3.406 -15.673  -6.406
  465    HZ3  LYS  59           HZ3      LYS  59   4.044 -14.118  -6.579
  466    H    GLU  60           H        GLU  60   2.930  -8.073  -8.861
  467    HA   GLU  60           HA       GLU  60   2.543  -5.600  -7.311
  468    HB2  GLU  60           HB2      GLU  60   3.523  -5.902 -10.153
  469    HB3  GLU  60           HB1      GLU  60   3.358  -4.389  -9.271
  470    HG2  GLU  60           HG2      GLU  60   5.066  -5.065  -7.711
  471    HG3  GLU  60           HG1      GLU  60   5.179  -6.649  -8.475
  472    H    ALA  61           H        ALA  61   0.773  -4.410  -7.591
  473    HA   ALA  61           HA       ALA  61  -0.933  -4.862  -9.931
  474    HB1  ALA  61           HB1      ALA  61  -1.883  -6.183  -8.090
  475    HB2  ALA  61           HB2      ALA  61  -2.942  -4.852  -8.553
  476    HB3  ALA  61           HB3      ALA  61  -1.959  -4.729  -7.096
  477    H    THR  62           H        THR  62  -1.844  -3.004 -10.729
  478    HA   THR  62           HA       THR  62  -1.162  -0.521  -9.298
  479    HB   THR  62           HB       THR  62  -1.639  -0.882 -12.264
  480    HG1  THR  62           HG1      THR  62   0.352  -1.813 -11.232
  481   HG21  THR  62          HG21      THR  62  -0.680   1.384 -12.430
  482   HG22  THR  62          HG22      THR  62  -0.614   1.472 -10.671
  483   HG23  THR  62          HG23      THR  62  -2.172   1.368 -11.490
  484    H    ILE  63           H        ILE  63  -2.815   0.470  -8.396
  485    HA   ILE  63           HA       ILE  63  -5.511   0.081  -9.531
  486    HB   ILE  63           HB       ILE  63  -4.804   0.855  -6.691
  487   HG12  ILE  63          HG12      ILE  63  -5.897  -1.541  -6.350
  488   HG13  ILE  63          HG11      ILE  63  -5.262  -1.805  -7.967
  489   HG21  ILE  63          HG21      ILE  63  -7.149   0.409  -6.213
  490   HG22  ILE  63          HG22      ILE  63  -7.429   0.016  -7.908
  491   HG23  ILE  63          HG23      ILE  63  -6.984   1.659  -7.447
  492   HD11  ILE  63          HD11      ILE  63  -3.022  -1.249  -7.176
  493   HD12  ILE  63          HD12      ILE  63  -3.717  -2.596  -6.275
  494   HD13  ILE  63          HD13      ILE  63  -3.660  -0.987  -5.553
  495    HA   PRO  64           HA       PRO  64  -5.553   4.464 -10.580
  496    HB2  PRO  64           HB2      PRO  64  -8.465   4.051 -10.058
  497    HB3  PRO  64           HB1      PRO  64  -7.662   4.789 -11.450
  498    HG2  PRO  64           HG2      PRO  64  -8.688   2.334 -11.605
  499    HG3  PRO  64           HG1      PRO  64  -7.172   2.752 -12.425
  500    HD2  PRO  64           HD2      PRO  64  -7.611   1.163  -9.943
  501    HD3  PRO  64           HD1      PRO  64  -6.370   0.982 -11.197
  502    H    GLY  65           H        GLY  65  -5.475   6.271  -9.355
  503    HA2  GLY  65           HA2      GLY  65  -5.472   6.057  -6.543
  504    HA3  GLY  65           HA1      GLY  65  -5.349   7.551  -7.457
  505    H    HIS  66           H        HIS  66  -8.037   6.564  -8.681
  506    HA   HIS  66           HA       HIS  66  -9.750   8.030  -6.928
  507    HB2  HIS  66           HB2      HIS  66 -10.308   8.251  -9.184
  508    HB3  HIS  66           HB1      HIS  66 -10.092   6.537  -9.509
  509    HD1  HIS  66           HD1      HIS  66 -12.567   8.865  -7.785
  510    HD2  HIS  66           HD2      HIS  66 -12.362   5.073  -9.479
  511    HE1  HIS  66           HE1      HIS  66 -14.936   8.019  -7.837
  512    HE2  HIS  66           HE2      HIS  66 -14.758   5.652  -8.692
  513    H    LEU  67           H        LEU  67  -8.868   4.693  -7.239
  514    HA   LEU  67           HA       LEU  67 -11.252   3.773  -5.837
  515    HB2  LEU  67           HB2      LEU  67  -8.832   2.200  -6.720
  516    HB3  LEU  67           HB1      LEU  67 -10.327   1.529  -6.101
  517    HG   LEU  67           HG       LEU  67  -9.916   2.941  -8.732
  518   HD11  LEU  67          HD11      LEU  67 -10.624   0.807  -9.676
  519   HD12  LEU  67          HD12      LEU  67 -10.740   0.127  -8.054
  520   HD13  LEU  67          HD13      LEU  67  -9.176   0.634  -8.688
  521   HD21  LEU  67          HD21      LEU  67 -12.289   2.530  -9.160
  522   HD22  LEU  67          HD22      LEU  67 -12.057   3.619  -7.795
  523   HD23  LEU  67          HD23      LEU  67 -12.481   1.932  -7.512
  524    H    ASN  68           H        ASN  68 -11.129   2.587  -3.862
  525    HA   ASN  68           HA       ASN  68  -8.779   3.233  -2.212
  526    HB2  ASN  68           HB2      ASN  68 -11.696   3.563  -1.533
  527    HB3  ASN  68           HB1      ASN  68 -10.461   3.429  -0.287
  528   HD21  ASN  68          HD21      ASN  68  -8.963   5.073  -0.030
  529   HD22  ASN  68          HD22      ASN  68  -9.205   6.646  -0.713
  530    H    SER  69           H        SER  69 -10.105   0.775  -3.638
  531    HA   SER  69           HA       SER  69  -9.415  -1.081  -1.531
  532    HB2  SER  69           HB2      SER  69 -11.575  -2.316  -1.728
  533    HB3  SER  69           HB1      SER  69 -11.753  -0.711  -1.018
  534    HG   SER  69           HG       SER  69 -12.003  -0.874  -3.783
  535    H    TYR  70           H        TYR  70  -8.507  -2.865  -2.328
  536    HA   TYR  70           HA       TYR  70  -8.973  -3.514  -5.165
  537    HB2  TYR  70           HB2      TYR  70  -6.728  -2.562  -4.878
  538    HB3  TYR  70           HB1      TYR  70  -6.374  -3.740  -3.622
  539    HD1  TYR  70           HD1      TYR  70  -5.197  -5.633  -4.206
  540    HD2  TYR  70           HD2      TYR  70  -7.452  -3.624  -7.201
  541    HE1  TYR  70           HE1      TYR  70  -4.326  -7.191  -5.897
  542    HE2  TYR  70           HE2      TYR  70  -6.588  -5.177  -8.899
  543    HH   TYR  70           HH       TYR  70  -4.617  -6.651  -9.220
  544    H    THR  71           H        THR  71  -9.360  -5.642  -5.627
  545    HA   THR  71           HA       THR  71  -9.551  -7.439  -3.319
  546    HB   THR  71           HB       THR  71 -10.686  -7.866  -6.091
  547    HG1  THR  71           HG1      THR  71 -11.479  -6.198  -4.092
  548   HG21  THR  71          HG21      THR  71 -10.460  -9.897  -4.729
  549   HG22  THR  71          HG22      THR  71 -12.156  -9.465  -4.953
  550   HG23  THR  71          HG23      THR  71 -11.354  -9.122  -3.421
  551    H    ILE  72           H        ILE  72  -7.548  -8.276  -3.057
  552    HA   ILE  72           HA       ILE  72  -5.834  -9.007  -5.218
  553    HB   ILE  72           HB       ILE  72  -5.671  -9.915  -2.336
  554   HG12  ILE  72          HG12      ILE  72  -4.376  -7.531  -3.683
  555   HG13  ILE  72          HG11      ILE  72  -5.677  -7.458  -2.498
  556   HG21  ILE  72          HG21      ILE  72  -3.289 -10.251  -2.840
  557   HG22  ILE  72          HG22      ILE  72  -3.596  -9.815  -4.521
  558   HG23  ILE  72          HG23      ILE  72  -4.330 -11.265  -3.839
  559   HD11  ILE  72          HD11      ILE  72  -2.849  -8.370  -2.057
  560   HD12  ILE  72          HD12      ILE  72  -4.137  -8.559  -0.871
  561   HD13  ILE  72          HD13      ILE  72  -3.643  -6.939  -1.384
  562    H    LYS  73           H        LYS  73  -5.713 -10.886  -6.302
  563    HA   LYS  73           HA       LYS  73  -7.397 -13.110  -5.350
  564    HB2  LYS  73           HB2      LYS  73  -6.925 -12.351  -8.238
  565    HB3  LYS  73           HB1      LYS  73  -8.036 -13.571  -7.630
  566    HG2  LYS  73           HG2      LYS  73  -9.402 -11.857  -6.595
  567    HG3  LYS  73           HG1      LYS  73  -8.260 -10.613  -7.107
  568    HD2  LYS  73           HD2      LYS  73  -8.713 -11.286  -9.471
  569    HD3  LYS  73           HD1      LYS  73  -9.986 -12.350  -8.868
  570    HE2  LYS  73           HE2      LYS  73 -10.972 -10.274  -9.585
  571    HE3  LYS  73           HE1      LYS  73 -11.075 -10.381  -7.828
  572    HZ1  LYS  73           HZ1      LYS  73  -9.061  -8.824  -9.361
  573    HZ2  LYS  73           HZ2      LYS  73  -9.128  -8.934  -7.675
  574    HZ3  LYS  73           HZ3      LYS  73 -10.383  -8.181  -8.527
  575    H    GLY  74           H        GLY  74  -6.553 -15.152  -5.500
  576    HA2  GLY  74           HA2      GLY  74  -5.031 -16.766  -6.392
  577    HA3  GLY  74           HA1      GLY  74  -3.948 -15.455  -6.832
  578    H    LEU  75           H        LEU  75  -5.306 -15.178  -3.727
  579    HA   LEU  75           HA       LEU  75  -2.752 -15.573  -2.471
  580    HB2  LEU  75           HB2      LEU  75  -5.492 -14.996  -1.339
  581    HB3  LEU  75           HB1      LEU  75  -4.040 -15.107  -0.365
  582    HG   LEU  75           HG       LEU  75  -4.568 -13.042  -2.516
  583   HD11  LEU  75          HD11      LEU  75  -4.622 -11.472  -0.652
  584   HD12  LEU  75          HD12      LEU  75  -4.455 -12.812   0.482
  585   HD13  LEU  75          HD13      LEU  75  -5.898 -12.682  -0.523
  586   HD21  LEU  75          HD21      LEU  75  -2.214 -13.570  -2.424
  587   HD22  LEU  75          HD22      LEU  75  -2.218 -13.412  -0.667
  588   HD23  LEU  75          HD23      LEU  75  -2.503 -11.997  -1.682
  589    H    LYS  76           H        LYS  76  -2.667 -16.975  -0.434
  590    HA   LYS  76           HA       LYS  76  -3.936 -19.565  -1.019
  591    HB2  LYS  76           HB2      LYS  76  -1.246 -19.032   0.255
  592    HB3  LYS  76           HB1      LYS  76  -1.947 -20.620  -0.021
  593    HG2  LYS  76           HG2      LYS  76  -1.899 -20.210  -2.438
  594    HG3  LYS  76           HG1      LYS  76  -1.158 -18.635  -2.146
  595    HD2  LYS  76           HD2      LYS  76   0.024 -21.294  -1.342
  596    HD3  LYS  76           HD1      LYS  76   0.487 -20.370  -2.769
  597    HE2  LYS  76           HE2      LYS  76   1.224 -18.530  -1.347
  598    HE3  LYS  76           HE1      LYS  76   0.730 -19.427   0.085
  599    HZ1  LYS  76           HZ1      LYS  76   2.873 -20.181  -1.824
  600    HZ2  LYS  76           HZ2      LYS  76   2.347 -21.157  -0.545
  601    HZ3  LYS  76           HZ3      LYS  76   3.076 -19.665  -0.224
  602    HA   PRO  77           HA       PRO  77  -5.817 -19.076   3.004
  603    HB2  PRO  77           HB2      PRO  77  -6.366 -21.957   2.823
  604    HB3  PRO  77           HB1      PRO  77  -7.497 -20.606   2.922
  605    HG2  PRO  77           HG2      PRO  77  -7.164 -22.037   0.665
  606    HG3  PRO  77           HG1      PRO  77  -7.549 -20.307   0.645
  607    HD2  PRO  77           HD2      PRO  77  -4.928 -21.674   0.193
  608    HD3  PRO  77           HD1      PRO  77  -5.623 -20.261  -0.625
  609    H    GLY  78           H        GLY  78  -4.888 -19.149   4.942
  610    HA2  GLY  78           HA2      GLY  78  -3.923 -20.195   6.807
  611    HA3  GLY  78           HA1      GLY  78  -3.450 -21.543   5.786
  612    H    VAL  79           H        VAL  79  -2.638 -18.712   4.256
  613    HA   VAL  79           HA       VAL  79   0.127 -18.918   5.249
  614    HB   VAL  79           HB       VAL  79  -0.821 -18.145   2.481
  615   HG11  VAL  79          HG11      VAL  79   1.971 -18.477   3.562
  616   HG12  VAL  79          HG12      VAL  79   1.220 -16.964   3.049
  617   HG13  VAL  79          HG13      VAL  79   1.552 -18.231   1.868
  618   HG21  VAL  79          HG21      VAL  79   0.246 -20.239   1.790
  619   HG22  VAL  79          HG22      VAL  79  -1.092 -20.513   2.905
  620   HG23  VAL  79          HG23      VAL  79   0.573 -20.619   3.479
  621    H    VAL  80           H        VAL  80   1.149 -17.123   5.912
  622    HA   VAL  80           HA       VAL  80  -0.372 -14.658   6.120
  623    HB   VAL  80           HB       VAL  80   2.415 -15.276   7.127
  624   HG11  VAL  80          HG11      VAL  80   2.041 -13.375   8.638
  625   HG12  VAL  80          HG12      VAL  80   0.491 -13.071   7.856
  626   HG13  VAL  80          HG13      VAL  80   1.988 -12.890   6.943
  627   HG21  VAL  80          HG21      VAL  80   1.357 -15.635   9.311
  628   HG22  VAL  80          HG22      VAL  80   0.798 -16.800   8.111
  629   HG23  VAL  80          HG23      VAL  80  -0.230 -15.441   8.568
  630    H    TYR  81           H        TYR  81   0.313 -12.659   5.244
  631    HA   TYR  81           HA       TYR  81   2.290 -12.912   3.078
  632    HB2  TYR  81           HB2      TYR  81  -0.474 -11.739   3.005
  633    HB3  TYR  81           HB1      TYR  81   0.759 -11.231   1.859
  634    HD1  TYR  81           HD1      TYR  81  -1.144 -14.183   3.064
  635    HD2  TYR  81           HD2      TYR  81   1.262 -12.520  -0.020
  636    HE1  TYR  81           HE1      TYR  81  -1.677 -16.101   1.621
  637    HE2  TYR  81           HE2      TYR  81   0.736 -14.429  -1.470
  638    HH   TYR  81           HH       TYR  81  -0.014 -16.671  -1.346
  639    H    GLU  82           H        GLU  82   3.446 -11.102   2.525
  640    HA   GLU  82           HA       GLU  82   3.356  -8.835   4.398
  641    HB2  GLU  82           HB2      GLU  82   5.447  -9.548   2.324
  642    HB3  GLU  82           HB1      GLU  82   5.559  -8.248   3.499
  643    HG2  GLU  82           HG2      GLU  82   5.676  -9.832   5.305
  644    HG3  GLU  82           HG1      GLU  82   5.420 -11.171   4.186
  645    H    GLY  83           H        GLY  83   3.045  -6.729   3.575
  646    HA2  GLY  83           HA2      GLY  83   2.726  -6.363   0.723
  647    HA3  GLY  83           HA1      GLY  83   1.228  -6.294   1.635
  648    H    GLN  84           H        GLN  84   2.910  -4.293   0.086
  649    HA   GLN  84           HA       GLN  84   2.683  -2.204   2.140
  650    HB2  GLN  84           HB2      GLN  84   4.866  -2.421   0.059
  651    HB3  GLN  84           HB1      GLN  84   4.575  -0.996   1.043
  652    HG2  GLN  84           HG2      GLN  84   6.277  -2.007   2.187
  653    HG3  GLN  84           HG1      GLN  84   4.866  -2.636   3.034
  654   HE21  GLN  84          HE21      GLN  84   5.860  -4.482   3.743
  655   HE22  GLN  84          HE22      GLN  84   6.334  -5.761   2.686
  656    H    LEU  85           H        LEU  85   1.460  -0.536   1.577
  657    HA   LEU  85           HA       LEU  85   0.433  -0.424  -1.153
  658    HB2  LEU  85           HB2      LEU  85  -1.077  -0.352   0.869
  659    HB3  LEU  85           HB1      LEU  85  -0.391   1.210   1.253
  660    HG   LEU  85           HG       LEU  85  -2.664   1.177   0.094
  661   HD11  LEU  85          HD11      LEU  85  -2.210   3.158  -1.181
  662   HD12  LEU  85          HD12      LEU  85  -0.491   2.769  -1.250
  663   HD13  LEU  85          HD13      LEU  85  -1.240   3.182   0.293
  664   HD21  LEU  85          HD21      LEU  85  -2.121  -0.532  -1.576
  665   HD22  LEU  85          HD22      LEU  85  -0.952   0.564  -2.311
  666   HD23  LEU  85          HD23      LEU  85  -2.668   0.967  -2.322
  667    H    ILE  86           H        ILE  86   1.668   0.669  -2.512
  668    HA   ILE  86           HA       ILE  86   3.235   2.957  -1.551
  669    HB   ILE  86           HB       ILE  86   3.398   1.625  -4.251
  670   HG12  ILE  86          HG12      ILE  86   5.260   1.068  -1.954
  671   HG13  ILE  86          HG11      ILE  86   3.804   0.108  -2.202
  672   HG21  ILE  86          HG21      ILE  86   5.352   3.346  -2.727
  673   HG22  ILE  86          HG22      ILE  86   4.380   3.857  -4.107
  674   HG23  ILE  86          HG23      ILE  86   5.630   2.629  -4.315
  675   HD11  ILE  86          HD11      ILE  86   4.581  -0.616  -4.348
  676   HD12  ILE  86          HD12      ILE  86   5.846  -0.902  -3.151
  677   HD13  ILE  86          HD13      ILE  86   5.971   0.467  -4.255
  678    H    SER  87           H        SER  87   2.240   4.868  -1.746
  679    HA   SER  87           HA       SER  87   0.332   5.247  -3.927
  680    HB2  SER  87           HB2      SER  87  -0.234   7.366  -2.681
  681    HB3  SER  87           HB1      SER  87  -0.537   5.876  -1.788
  682    HG   SER  87           HG       SER  87   1.421   6.218  -0.675
  683    H    ILE  88           H        ILE  88   0.850   6.321  -5.705
  684    HA   ILE  88           HA       ILE  88   3.267   8.001  -5.707
  685    HB   ILE  88           HB       ILE  88   1.692   6.984  -8.082
  686   HG12  ILE  88          HG12      ILE  88   2.692   5.108  -6.863
  687   HG13  ILE  88          HG11      ILE  88   3.514   5.360  -8.398
  688   HG21  ILE  88          HG21      ILE  88   2.949   9.008  -8.547
  689   HG22  ILE  88          HG22      ILE  88   3.680   7.630  -9.368
  690   HG23  ILE  88          HG23      ILE  88   4.413   8.271  -7.898
  691   HD11  ILE  88          HD11      ILE  88   5.323   6.517  -7.214
  692   HD12  ILE  88          HD12      ILE  88   5.103   4.859  -6.656
  693   HD13  ILE  88          HD13      ILE  88   4.503   6.203  -5.684
  694    H    GLN  89           H        GLN  89   2.859  10.097  -5.373
  695    HA   GLN  89           HA       GLN  89   0.191  11.107  -6.022
  696    HB2  GLN  89           HB2      GLN  89   2.363  12.311  -4.309
  697    HB3  GLN  89           HB1      GLN  89   0.753  12.980  -4.533
  698    HG2  GLN  89           HG2      GLN  89  -0.246  11.114  -3.437
  699    HG3  GLN  89           HG1      GLN  89   1.297  10.266  -3.364
  700   HE21  GLN  89          HE21      GLN  89   1.302  10.094  -1.156
  701   HE22  GLN  89          HE22      GLN  89   1.533  11.452  -0.116
  702    H    GLN  90           H        GLN  90   0.322  13.657  -6.390
  703    HA   GLN  90           HA       GLN  90   1.194  13.914  -9.050
  704    HB2  GLN  90           HB2      GLN  90  -0.699  15.151  -8.147
  705    HB3  GLN  90           HB1      GLN  90   0.366  16.032  -7.065
  706    HG2  GLN  90           HG2      GLN  90   1.460  17.072  -8.971
  707    HG3  GLN  90           HG1      GLN  90   0.429  16.159 -10.071
  708   HE21  GLN  90          HE21      GLN  90  -0.727  17.505  -7.057
  709   HE22  GLN  90          HE22      GLN  90  -1.724  18.725  -7.766
  710    H    TYR  91           H        TYR  91   2.537  15.199  -6.020
  711    HA   TYR  91           HA       TYR  91   4.651  16.598  -7.395
  712    HB2  TYR  91           HB2      TYR  91   4.167  16.087  -4.458
  713    HB3  TYR  91           HB1      TYR  91   5.493  17.056  -5.080
  714    HD1  TYR  91           HD1      TYR  91   1.767  16.845  -5.142
  715    HD2  TYR  91           HD2      TYR  91   5.205  19.338  -5.377
  716    HE1  TYR  91           HE1      TYR  91   0.321  18.831  -5.113
  717    HE2  TYR  91           HE2      TYR  91   3.766  21.332  -5.351
  718    HH   TYR  91           HH       TYR  91   1.516  21.989  -5.795
  719    H    GLY  92           H        GLY  92   4.311  13.531  -7.383
  720    HA2  GLY  92           HA2      GLY  92   5.817  11.820  -7.720
  721    HA3  GLY  92           HA1      GLY  92   7.117  12.963  -7.407
  722    H    HIS  93           H        HIS  93   4.730  12.867  -4.983
  723    HA   HIS  93           HA       HIS  93   6.568  11.833  -3.065
  724    HB2  HIS  93           HB2      HIS  93   3.855  12.950  -2.988
  725    HB3  HIS  93           HB1      HIS  93   4.123  11.663  -1.825
  726    HD1  HIS  93           HD1      HIS  93   5.471  12.194   0.233
  727    HD2  HIS  93           HD2      HIS  93   5.576  15.221  -2.632
  728    HE1  HIS  93           HE1      HIS  93   6.547  14.173   1.357
  729    HE2  HIS  93           HE2      HIS  93   6.740  15.930  -0.436
  730    H    GLN  94           H        GLN  94   7.070   9.775  -2.844
  731    HA   GLN  94           HA       GLN  94   4.973   7.772  -3.254
  732    HB2  GLN  94           HB2      GLN  94   7.918   7.405  -2.654
  733    HB3  GLN  94           HB1      GLN  94   6.769   6.114  -2.970
  734    HG2  GLN  94           HG2      GLN  94   6.422   7.071  -5.238
  735    HG3  GLN  94           HG1      GLN  94   7.722   8.213  -4.897
  736   HE21  GLN  94          HE21      GLN  94   7.551   6.131  -6.923
  737   HE22  GLN  94          HE22      GLN  94   8.902   5.087  -6.660
  738    H    GLU  95           H        GLU  95   3.791   7.314  -1.533
  739    HA   GLU  95           HA       GLU  95   5.124   7.315   1.093
  740    HB2  GLU  95           HB2      GLU  95   2.178   7.722   0.522
  741    HB3  GLU  95           HB1      GLU  95   2.930   7.721   2.111
  742    HG2  GLU  95           HG2      GLU  95   3.403   9.729  -0.080
  743    HG3  GLU  95           HG1      GLU  95   2.441   9.977   1.373
  744    H    VAL  96           H        VAL  96   5.501   5.332   1.764
  745    HA   VAL  96           HA       VAL  96   3.888   3.153   0.640
  746    HB   VAL  96           HB       VAL  96   6.622   3.002   1.925
  747   HG11  VAL  96          HG11      VAL  96   5.060   0.942   0.372
  748   HG12  VAL  96          HG12      VAL  96   5.332   0.933   2.115
  749   HG13  VAL  96          HG13      VAL  96   6.692   0.743   1.008
  750   HG21  VAL  96          HG21      VAL  96   5.840   2.957  -0.991
  751   HG22  VAL  96          HG22      VAL  96   7.460   2.654  -0.362
  752   HG23  VAL  96          HG23      VAL  96   6.719   4.242  -0.165
  753    H    THR  97           H        THR  97   2.280   2.661   1.965
  754    HA   THR  97           HA       THR  97   2.762   2.635   4.852
  755    HB   THR  97           HB       THR  97   0.116   2.232   3.450
  756    HG1  THR  97           HG1      THR  97  -0.147   4.537   4.045
  757   HG21  THR  97          HG21      THR  97   0.850   3.082   6.256
  758   HG22  THR  97          HG22      THR  97   0.168   1.524   5.783
  759   HG23  THR  97          HG23      THR  97  -0.790   2.997   5.614
  760    H    ARG  98           H        ARG  98   3.514   0.786   5.602
  761    HA   ARG  98           HA       ARG  98   3.191  -1.687   4.160
  762    HB2  ARG  98           HB2      ARG  98   4.424  -1.268   6.885
  763    HB3  ARG  98           HB1      ARG  98   4.681  -2.625   5.800
  764    HG2  ARG  98           HG2      ARG  98   5.818  -1.171   4.221
  765    HG3  ARG  98           HG1      ARG  98   5.522   0.216   5.270
  766    HD2  ARG  98           HD2      ARG  98   6.812  -0.950   7.055
  767    HD3  ARG  98           HD1      ARG  98   7.211  -2.204   5.882
  768    HE   ARG  98           HE       ARG  98   7.967   0.168   4.712
  769   HH11  ARG  98          HH11      ARG  98   8.773  -1.588   7.623
  770   HH12  ARG  98          HH12      ARG  98  10.372  -0.929   7.732
  771   HH21  ARG  98          HH21      ARG  98  10.080   1.036   4.842
  772   HH22  ARG  98          HH22      ARG  98  11.119   0.557   6.145
  773    H    PHE  99           H        PHE  99   1.815  -3.331   4.613
  774    HA   PHE  99           HA       PHE  99   0.349  -3.234   7.148
  775    HB2  PHE  99           HB2      PHE  99  -1.773  -3.727   6.011
  776    HB3  PHE  99           HB1      PHE  99  -1.117  -2.173   5.517
  777    HD1  PHE  99           HD1      PHE  99  -2.128  -5.473   4.458
  778    HD2  PHE  99           HD2      PHE  99  -0.084  -1.932   3.274
  779    HE1  PHE  99           HE1      PHE  99  -2.332  -6.146   2.102
  780    HE2  PHE  99           HE2      PHE  99  -0.283  -2.603   0.916
  781    HZ   PHE  99           HZ       PHE  99  -1.410  -4.710   0.331
  782    H    ASP 100           H        ASP 100  -0.632  -5.235   7.745
  783    HA   ASP 100           HA       ASP 100   0.747  -7.566   6.580
  784    HB2  ASP 100           HB2      ASP 100   1.592  -7.019   8.816
  785    HB3  ASP 100           HB1      ASP 100  -0.045  -7.037   9.458
  786    H    PHE 101           H        PHE 101  -0.486  -9.411   6.200
  787    HA   PHE 101           HA       PHE 101  -3.190  -9.580   7.160
  788    HB2  PHE 101           HB2      PHE 101  -4.308  -9.561   5.007
  789    HB3  PHE 101           HB1      PHE 101  -3.475  -8.036   5.258
  790    HD1  PHE 101           HD1      PHE 101  -3.978 -10.783   3.070
  791    HD2  PHE 101           HD2      PHE 101  -1.184  -7.749   4.122
  792    HE1  PHE 101           HE1      PHE 101  -2.894 -11.026   0.875
  793    HE2  PHE 101           HE2      PHE 101  -0.093  -7.990   1.929
  794    HZ   PHE 101           HZ       PHE 101  -0.949  -9.626   0.302
  795    H    THR 102           H        THR 102  -4.312 -11.527   6.131
  796    HA   THR 102           HA       THR 102  -2.663 -13.567   5.010
  797    HB   THR 102           HB       THR 102  -1.884 -13.712   7.332
  798    HG1  THR 102           HG1      THR 102  -2.192 -15.650   6.045
  799   HG21  THR 102          HG21      THR 102  -3.876 -12.810   8.451
  800   HG22  THR 102          HG22      THR 102  -3.390 -14.358   9.141
  801   HG23  THR 102          HG23      THR 102  -4.765 -14.276   8.040
  802    H    THR 103           H        THR 103  -3.904 -15.133   4.063
  803    HA   THR 103           HA       THR 103  -6.746 -14.601   3.982
  804    HB   THR 103           HB       THR 103  -6.174 -16.819   2.367
  805    HG1  THR 103           HG1      THR 103  -4.088 -16.635   2.027
  806   HG21  THR 103          HG21      THR 103  -6.311 -13.887   1.648
  807   HG22  THR 103          HG22      THR 103  -7.692 -14.969   1.831
  808   HG23  THR 103          HG23      THR 103  -6.529 -15.235   0.532
  809    H    THR 104           H        THR 104  -8.095 -15.563   5.334
  810    HA   THR 104           HA       THR 104  -9.366 -17.258   6.160
  811    HB   THR 104           HB       THR 104  -7.307 -19.136   4.988
  812    HG1  THR 104           HG1      THR 104  -8.714 -17.571   3.633
  813   HG21  THR 104          HG21      THR 104 -10.143 -19.636   5.901
  814   HG22  THR 104          HG22      THR 104  -8.681 -20.218   6.697
  815   HG23  THR 104          HG23      THR 104  -9.104 -20.806   5.090
  816    H    SER 105           H        SER 105  -6.086 -16.813   7.000
  817    HA   SER 105           HA       SER 105  -5.990 -18.717   9.144
  818    HB2  SER 105           HB2      SER 105  -4.154 -16.353   8.832
  819    HB3  SER 105           HB1      SER 105  -3.804 -17.930   9.540
  820    HG   SER 105           HG       SER 105  -3.385 -17.166   7.072
  821    H    THR 106           H        THR 106  -8.234 -16.943   9.342
  822    HA   THR 106           HA       THR 106  -7.612 -15.110  11.515
  823    HB   THR 106           HB       THR 106 -10.146 -14.720  11.415
  824    HG1  THR 106           HG1      THR 106 -10.220 -15.626   8.824
  825   HG21  THR 106          HG21      THR 106  -8.545 -13.157  10.446
  826   HG22  THR 106          HG22      THR 106  -9.958 -13.309   9.404
  827   HG23  THR 106          HG23      THR 106  -8.457 -14.131   8.979
  828    H    SER 107           H        SER 107  -8.336 -18.329  11.136
  829    HA   SER 107           HA       SER 107  -9.995 -18.686  13.460
  830    HB2  SER 107           HB2      SER 107  -8.539 -20.772  11.819
  831    HB3  SER 107           HB1      SER 107  -9.900 -21.039  12.909
  832    HG   SER 107           HG       SER 107 -10.877 -19.313  11.363
  833    H    THR 108           H        THR 108  -8.005 -17.346  14.465
  834    HA   THR 108           HA       THR 108  -5.834 -19.010  15.361
  835    HB   THR 108           HB       THR 108  -5.350 -16.949  16.815
  836    HG1  THR 108           HG1      THR 108  -6.467 -15.049  15.757
  837   HG21  THR 108          HG21      THR 108  -4.167 -17.408  14.724
  838   HG22  THR 108          HG22      THR 108  -4.465 -15.680  14.914
  839   HG23  THR 108          HG23      THR 108  -5.462 -16.631  13.815
  840    HA   PRO 109           HA       PRO 109  -7.767 -20.605  19.018
  841    HB2  PRO 109           HB2      PRO 109  -5.151 -20.408  20.358
  842    HB3  PRO 109           HB1      PRO 109  -6.123 -21.838  20.001
  843    HG2  PRO 109           HG2      PRO 109  -3.856 -21.315  18.670
  844    HG3  PRO 109           HG1      PRO 109  -5.256 -22.061  17.874
  845    HD2  PRO 109           HD2      PRO 109  -4.317 -19.218  17.786
  846    HD3  PRO 109           HD1      PRO 109  -4.939 -20.243  16.475
  847    H    GLY 110           H        GLY 110  -8.983 -18.689  19.476
  848    HA2  GLY 110           HA2      GLY 110  -7.790 -17.024  21.602
  849    HA3  GLY 110           HA1      GLY 110  -9.049 -16.471  20.505
  850    H    SER 111           H        SER 111 -11.034 -16.472  21.272
  851    HA   SER 111           HA       SER 111 -12.824 -16.806  22.619
  852    HB2  SER 111           HB2      SER 111 -12.724 -19.030  21.485
  853    HB3  SER 111           HB1      SER 111 -11.762 -19.634  22.833
  854    HG   SER 111           HG       SER 111 -13.581 -19.011  24.192
  855    H    ARG 112           H        ARG 112 -10.662 -15.655  23.869
  856    HA   ARG 112           HA       ARG 112 -10.520 -16.933  26.515
  857    HB2  ARG 112           HB2      ARG 112  -8.824 -14.681  25.426
  858    HB3  ARG 112           HB1      ARG 112  -8.561 -15.567  26.918
  859    HG2  ARG 112           HG2      ARG 112  -8.045 -17.577  25.670
  860    HG3  ARG 112           HG1      ARG 112  -8.394 -16.745  24.153
  861    HD2  ARG 112           HD2      ARG 112  -6.602 -15.128  24.679
  862    HD3  ARG 112           HD1      ARG 112  -6.217 -16.061  26.119
  863    HE   ARG 112           HE       ARG 112  -5.844 -17.945  24.401
  864   HH11  ARG 112          HH11      ARG 112  -5.188 -14.555  23.853
  865   HH12  ARG 112          HH12      ARG 112  -3.878 -14.849  22.757
  866   HH21  ARG 112          HH21      ARG 112  -4.090 -18.335  22.968
  867   HH22  ARG 112          HH22      ARG 112  -3.247 -16.989  22.265
  868    H    SER 113           H        SER 113 -12.464 -14.912  25.032
  869    HA   SER 113           HA       SER 113 -13.847 -13.203  25.592
  870    HB2  SER 113           HB2      SER 113 -12.909 -13.673  28.436
  871    HB3  SER 113           HB1      SER 113 -14.392 -12.860  27.934
  872    HG   SER 113           HG       SER 113 -14.778 -15.011  26.808
  873    H    HIS 114           H        HIS 114 -10.985 -12.781  24.988
  874    HA   HIS 114           HA       HIS 114 -10.739 -10.059  26.043
  875    HB2  HIS 114           HB2      HIS 114  -8.772 -12.276  26.332
  876    HB3  HIS 114           HB1      HIS 114  -8.136 -10.678  25.970
  877    HD1  HIS 114           HD1      HIS 114  -7.511  -9.423  27.995
  878    HD2  HIS 114           HD2      HIS 114 -10.640 -12.059  28.733
  879    HE1  HIS 114           HE1      HIS 114  -8.034  -9.179  30.438
  880    HE2  HIS 114           HE2      HIS 114  -9.880 -10.836  30.881
  881    H    HIS 115           H        HIS 115 -11.758 -10.522  23.572
  882    HA   HIS 115           HA       HIS 115  -9.469  -9.930  21.820
  883    HB2  HIS 115           HB2      HIS 115 -10.754 -10.718  19.907
  884    HB3  HIS 115           HB1      HIS 115 -10.609 -11.975  21.124
  885    HD1  HIS 115           HD1      HIS 115 -13.048 -10.133  19.125
  886    HD2  HIS 115           HD2      HIS 115 -13.084 -12.454  22.572
  887    HE1  HIS 115           HE1      HIS 115 -15.445 -10.809  19.458
  888    HE2  HIS 115           HE2      HIS 115 -15.461 -12.118  21.613
  889    H    HIS 116           H        HIS 116 -11.246  -8.202  23.565
  890    HA   HIS 116           HA       HIS 116 -11.788  -6.216  21.461
  891    HB2  HIS 116           HB2      HIS 116 -13.193  -5.010  23.133
  892    HB3  HIS 116           HB1      HIS 116 -13.817  -6.592  22.705
  893    HD1  HIS 116           HD1      HIS 116 -14.585  -7.932  24.623
  894    HD2  HIS 116           HD2      HIS 116 -11.716  -5.148  25.747
  895    HE1  HIS 116           HE1      HIS 116 -14.419  -8.109  27.124
  896    HE2  HIS 116           HE2      HIS 116 -12.814  -6.288  27.793
  897    H    HIS 117           H        HIS 117  -9.248  -6.804  22.215
  898    HA   HIS 117           HA       HIS 117  -8.240  -5.193  24.320
  899    HB2  HIS 117           HB2      HIS 117  -7.113  -7.231  23.465
  900    HB3  HIS 117           HB1      HIS 117  -6.790  -6.398  21.952
  901    HD1  HIS 117           HD1      HIS 117  -5.670  -6.610  25.505
  902    HD2  HIS 117           HD2      HIS 117  -4.678  -4.556  22.030
  903    HE1  HIS 117           HE1      HIS 117  -3.425  -5.568  25.953
  904    HE2  HIS 117           HE2      HIS 117  -2.769  -4.487  23.773
  905    H    HIS 118           H        HIS 118  -7.998  -3.083  24.331
  906    HA   HIS 118           HA       HIS 118  -7.906  -1.619  21.792
  907    HB2  HIS 118           HB2      HIS 118  -8.379   0.393  23.146
  908    HB3  HIS 118           HB1      HIS 118  -9.608  -0.844  23.372
  909    HD1  HIS 118           HD1      HIS 118  -6.565   0.591  25.164
  910    HD2  HIS 118           HD2      HIS 118 -10.041  -1.556  25.965
  911    HE1  HIS 118           HE1      HIS 118  -6.711   0.438  27.667
  912    HE2  HIS 118           HE2      HIS 118  -8.806  -0.878  28.132
  913    H    HIS 119           H        HIS 119  -6.484   0.429  21.930
  914    HA   HIS 119           HA       HIS 119  -3.870  -0.367  22.984
  915    HB2  HIS 119           HB2      HIS 119  -4.148   0.366  20.569
  916    HB3  HIS 119           HB1      HIS 119  -4.499   1.978  21.179
  917    HD1  HIS 119           HD1      HIS 119  -2.531   3.466  21.532
  918    HD2  HIS 119           HD2      HIS 119  -1.456  -0.539  21.299
  919    HE1  HIS 119           HE1      HIS 119  -0.018   3.440  21.535
  920    HE2  HIS 119           HE2      HIS 119   0.597   1.023  21.192
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -14.192  19.538   8.348
    2    H2   GLY   1           HT2      GLY   1 -13.407  19.627   9.843
    3    H3   GLY   1           HT3      GLY   1 -14.701  18.562   9.630
    4    HA2  GLY   1           HA1      GLY   1 -13.440  17.258   8.062
    5    HA3  GLY   1           HA2      GLY   1 -12.097  18.381   8.227
    6    H    SER   2           H        SER   2 -10.962  16.338   8.786
    7    HA   SER   2           HA       SER   2 -11.499  15.094  11.306
    8    HB2  SER   2           HB2      SER   2  -8.931  15.049   9.701
    9    HB3  SER   2           HB1      SER   2  -9.448  13.873  10.912
   10    HG   SER   2           HG       SER   2 -11.399  13.960   9.200
   11    H    GLN   3           H        GLN   3  -9.038  17.344  10.120
   12    HA   GLN   3           HA       GLN   3  -9.132  19.059  12.322
   13    HB2  GLN   3           HB2      GLN   3  -7.999  17.207  13.527
   14    HB3  GLN   3           HB1      GLN   3  -6.711  17.236  12.328
   15    HG2  GLN   3           HG2      GLN   3  -6.234  19.582  12.970
   16    HG3  GLN   3           HG1      GLN   3  -7.437  19.434  14.249
   17   HE21  GLN   3          HE21      GLN   3  -6.992  18.146  16.036
   18   HE22  GLN   3          HE22      GLN   3  -5.391  17.614  16.406
   19    H    THR   4           H        THR   4  -6.614  17.647  10.273
   20    HA   THR   4           HA       THR   4  -6.314  20.248   8.934
   21    HB   THR   4           HB       THR   4  -4.042  18.341   9.533
   22    HG1  THR   4           HG1      THR   4  -3.846  19.312  11.399
   23   HG21  THR   4          HG21      THR   4  -3.679  19.732   7.566
   24   HG22  THR   4          HG22      THR   4  -2.636  20.262   8.886
   25   HG23  THR   4          HG23      THR   4  -4.090  21.176   8.490
   26    H    THR   5           H        THR   5  -7.111  19.921   6.952
   27    HA   THR   5           HA       THR   5  -7.153  17.335   5.725
   28    HB   THR   5           HB       THR   5  -7.825  19.997   4.456
   29    HG1  THR   5           HG1      THR   5 -10.049  18.987   5.095
   30   HG21  THR   5          HG21      THR   5  -7.583  18.081   2.903
   31   HG22  THR   5          HG22      THR   5  -9.235  18.690   2.976
   32   HG23  THR   5          HG23      THR   5  -8.803  17.209   3.830
   33    H    ALA   6           H        ALA   6  -4.715  17.219   5.960
   34    HA   ALA   6           HA       ALA   6  -3.608  17.624   3.317
   35    HB1  ALA   6           HB1      ALA   6  -2.223  18.797   5.731
   36    HB2  ALA   6           HB2      ALA   6  -3.010  19.716   4.449
   37    HB3  ALA   6           HB3      ALA   6  -1.583  18.746   4.088
   38    HA   PRO   7           HA       PRO   7  -2.078  13.839   5.604
   39    HB2  PRO   7           HB2      PRO   7  -3.841  12.091   4.198
   40    HB3  PRO   7           HB1      PRO   7  -3.891  12.516   5.909
   41    HG2  PRO   7           HG2      PRO   7  -5.821  13.213   4.048
   42    HG3  PRO   7           HG1      PRO   7  -5.565  14.027   5.600
   43    HD2  PRO   7           HD2      PRO   7  -4.630  14.816   2.866
   44    HD3  PRO   7           HD1      PRO   7  -5.256  15.835   4.183
   45    H    ASP   8           H        ASP   8  -0.688  12.269   4.728
   46    HA   ASP   8           HA       ASP   8  -0.164  12.601   1.849
   47    HB2  ASP   8           HB2      ASP   8   1.667  12.055   4.170
   48    HB3  ASP   8           HB1      ASP   8   2.154  11.665   2.525
   49    H    ALA   9           H        ALA   9  -0.089  10.195   4.455
   50    HA   ALA   9           HA       ALA   9  -0.258   8.083   2.413
   51    HB1  ALA   9           HB1      ALA   9   0.772   6.606   4.058
   52    HB2  ALA   9           HB2      ALA   9   0.828   7.936   5.217
   53    HB3  ALA   9           HB3      ALA   9   1.784   8.014   3.738
   54    HA   PRO  10           HA       PRO  10  -4.319   7.015   3.927
   55    HB2  PRO  10           HB2      PRO  10  -3.511   4.241   3.251
   56    HB3  PRO  10           HB1      PRO  10  -4.904   5.173   2.694
   57    HG2  PRO  10           HG2      PRO  10  -2.832   4.705   1.080
   58    HG3  PRO  10           HG1      PRO  10  -3.690   6.257   1.049
   59    HD2  PRO  10           HD2      PRO  10  -1.057   5.580   2.278
   60    HD3  PRO  10           HD1      PRO  10  -1.547   7.033   1.426
   61    HA   PRO  11           HA       PRO  11  -3.367   6.305   8.179
   62    HB2  PRO  11           HB2      PRO  11  -6.100   5.093   8.109
   63    HB3  PRO  11           HB1      PRO  11  -5.408   6.239   9.264
   64    HG2  PRO  11           HG2      PRO  11  -7.058   7.069   7.347
   65    HG3  PRO  11           HG1      PRO  11  -5.656   8.038   7.828
   66    HD2  PRO  11           HD2      PRO  11  -6.092   6.441   5.368
   67    HD3  PRO  11           HD1      PRO  11  -5.090   7.883   5.619
   68    H    ASP  12           H        ASP  12  -5.373   3.617   6.938
   69    HA   ASP  12           HA       ASP  12  -3.304   1.704   7.637
   70    HB2  ASP  12           HB2      ASP  12  -4.457   2.001   9.773
   71    HB3  ASP  12           HB1      ASP  12  -6.006   1.682   9.001
   72    HA   PRO  13           HA       PRO  13  -5.508  -0.210   4.178
   73    HB2  PRO  13           HB2      PRO  13  -3.227  -2.017   4.091
   74    HB3  PRO  13           HB1      PRO  13  -3.761  -0.854   2.875
   75    HG2  PRO  13           HG2      PRO  13  -1.468  -0.564   4.311
   76    HG3  PRO  13           HG1      PRO  13  -2.401   0.804   3.680
   77    HD2  PRO  13           HD2      PRO  13  -2.329  -0.323   6.453
   78    HD3  PRO  13           HD1      PRO  13  -2.386   1.372   5.925
   79    H    THR  14           H        THR  14  -7.080  -1.528   4.820
   80    HA   THR  14           HA       THR  14  -6.479  -3.565   6.861
   81    HB   THR  14           HB       THR  14  -9.227  -2.521   6.221
   82    HG1  THR  14           HG1      THR  14  -7.215  -1.368   7.892
   83   HG21  THR  14          HG21      THR  14  -9.684  -3.191   8.536
   84   HG22  THR  14          HG22      THR  14  -8.008  -3.706   8.718
   85   HG23  THR  14          HG23      THR  14  -9.069  -4.545   7.587
   86    H    VAL  15           H        VAL  15  -7.113  -5.668   6.528
   87    HA   VAL  15           HA       VAL  15  -7.928  -6.329   3.806
   88    HB   VAL  15           HB       VAL  15  -6.857  -8.076   6.031
   89   HG11  VAL  15          HG11      VAL  15  -8.352  -9.401   4.704
   90   HG12  VAL  15          HG12      VAL  15  -6.693  -9.824   4.269
   91   HG13  VAL  15          HG13      VAL  15  -7.645  -8.782   3.213
   92   HG21  VAL  15          HG21      VAL  15  -4.871  -8.257   4.627
   93   HG22  VAL  15          HG22      VAL  15  -5.203  -6.573   5.030
   94   HG23  VAL  15          HG23      VAL  15  -5.611  -7.194   3.429
   95    H    ASP  16           H        ASP  16 -10.036  -6.487   3.463
   96    HA   ASP  16           HA       ASP  16 -11.708  -7.740   5.548
   97    HB2  ASP  16           HB2      ASP  16 -12.404  -5.495   3.643
   98    HB3  ASP  16           HB1      ASP  16 -13.601  -6.376   4.583
   99    H    GLN  17           H        GLN  17 -13.687  -8.754   4.683
  100    HA   GLN  17           HA       GLN  17 -14.783 -10.234   3.358
  101    HB2  GLN  17           HB2      GLN  17 -13.722  -8.511   1.123
  102    HB3  GLN  17           HB1      GLN  17 -15.104  -9.567   1.040
  103    HG2  GLN  17           HG2      GLN  17 -16.312  -8.206   2.609
  104    HG3  GLN  17           HG1      GLN  17 -14.893  -7.191   2.862
  105   HE21  GLN  17          HE21      GLN  17 -15.875  -5.330   2.220
  106   HE22  GLN  17          HE22      GLN  17 -16.324  -5.009   0.582
  107    H    VAL  18           H        VAL  18 -12.789 -11.577   4.131
  108    HA   VAL  18           HA       VAL  18 -10.994 -12.400   2.031
  109    HB   VAL  18           HB       VAL  18 -11.463 -13.663   4.738
  110   HG11  VAL  18          HG11      VAL  18  -9.246 -14.649   4.416
  111   HG12  VAL  18          HG12      VAL  18  -9.162 -13.934   2.807
  112   HG13  VAL  18          HG13      VAL  18 -10.372 -15.166   3.161
  113   HG21  VAL  18          HG21      VAL  18  -9.472 -12.424   5.458
  114   HG22  VAL  18          HG22      VAL  18 -10.774 -11.339   4.971
  115   HG23  VAL  18          HG23      VAL  18  -9.410 -11.621   3.889
  116    H    ASP  19           H        ASP  19 -11.696 -13.630   0.427
  117    HA   ASP  19           HA       ASP  19 -13.910 -15.483   0.772
  118    HB2  ASP  19           HB2      ASP  19 -12.155 -15.024  -1.656
  119    HB3  ASP  19           HB1      ASP  19 -13.666 -15.920  -1.618
  120    H    ASP  20           H        ASP  20 -12.822 -17.356  -1.206
  121    HA   ASP  20           HA       ASP  20 -11.574 -19.232   0.477
  122    HB2  ASP  20           HB2      ASP  20 -11.606 -19.132  -2.550
  123    HB3  ASP  20           HB1      ASP  20 -11.215 -20.544  -1.574
  124    H    THR  21           H        THR  21 -10.261 -17.248  -2.174
  125    HA   THR  21           HA       THR  21  -7.706 -17.116  -0.785
  126    HB   THR  21           HB       THR  21  -6.744 -17.522  -3.283
  127    HG1  THR  21           HG1      THR  21  -8.374 -19.730  -3.250
  128   HG21  THR  21          HG21      THR  21  -6.111 -19.783  -2.522
  129   HG22  THR  21          HG22      THR  21  -7.259 -19.637  -1.191
  130   HG23  THR  21          HG23      THR  21  -5.865 -18.561  -1.274
  131    H    SER  22           H        SER  22  -9.733 -15.161  -1.289
  132    HA   SER  22           HA       SER  22  -8.073 -13.210  -2.667
  133    HB2  SER  22           HB2      SER  22 -10.184 -12.315  -3.814
  134    HB3  SER  22           HB1      SER  22  -9.487 -13.793  -4.478
  135    HG   SER  22           HG       SER  22 -11.830 -13.443  -2.943
  136    H    ILE  23           H        ILE  23  -8.314 -11.120  -1.892
  137    HA   ILE  23           HA       ILE  23 -10.165 -10.799   0.387
  138    HB   ILE  23           HB       ILE  23  -8.530  -9.567   1.621
  139   HG12  ILE  23          HG12      ILE  23  -6.467 -10.017  -0.519
  140   HG13  ILE  23          HG11      ILE  23  -7.534  -8.622  -0.584
  141   HG21  ILE  23          HG21      ILE  23  -8.385 -11.994   1.840
  142   HG22  ILE  23          HG22      ILE  23  -6.800 -11.244   2.024
  143   HG23  ILE  23          HG23      ILE  23  -7.225 -12.048   0.512
  144   HD11  ILE  23          HD11      ILE  23  -5.507  -9.285   1.525
  145   HD12  ILE  23          HD12      ILE  23  -6.718  -8.017   1.701
  146   HD13  ILE  23          HD13      ILE  23  -5.521  -7.913   0.411
  147    H    VAL  24           H        VAL  24 -10.533  -8.496   0.943
  148    HA   VAL  24           HA       VAL  24 -10.073  -6.664  -1.323
  149    HB   VAL  24           HB       VAL  24 -12.215  -6.448   0.808
  150   HG11  VAL  24          HG11      VAL  24 -11.466  -4.280  -0.002
  151   HG12  VAL  24          HG12      VAL  24 -13.095  -4.629  -0.581
  152   HG13  VAL  24          HG13      VAL  24 -11.716  -4.800  -1.668
  153   HG21  VAL  24          HG21      VAL  24 -12.662  -8.284  -0.735
  154   HG22  VAL  24          HG22      VAL  24 -12.482  -7.185  -2.101
  155   HG23  VAL  24          HG23      VAL  24 -13.807  -6.963  -0.957
  156    H    VAL  25           H        VAL  25  -8.245  -5.605  -0.808
  157    HA   VAL  25           HA       VAL  25  -7.760  -4.842   1.959
  158    HB   VAL  25           HB       VAL  25  -5.810  -5.686   0.889
  159   HG11  VAL  25          HG11      VAL  25  -6.356  -5.534  -1.405
  160   HG12  VAL  25          HG12      VAL  25  -4.868  -4.615  -1.166
  161   HG13  VAL  25          HG13      VAL  25  -6.408  -3.771  -1.347
  162   HG21  VAL  25          HG21      VAL  25  -4.250  -3.787   0.948
  163   HG22  VAL  25          HG22      VAL  25  -5.354  -3.801   2.324
  164   HG23  VAL  25          HG23      VAL  25  -5.624  -2.681   0.987
  165    H    ARG  26           H        ARG  26  -8.563  -3.058   2.709
  166    HA   ARG  26           HA       ARG  26  -9.424  -0.972   0.828
  167    HB2  ARG  26           HB2      ARG  26 -10.294  -1.484   3.680
  168    HB3  ARG  26           HB1      ARG  26 -10.969  -0.276   2.599
  169    HG2  ARG  26           HG2      ARG  26 -11.774  -2.049   1.121
  170    HG3  ARG  26           HG1      ARG  26 -11.101  -3.259   2.215
  171    HD2  ARG  26           HD2      ARG  26 -13.501  -2.964   2.578
  172    HD3  ARG  26           HD1      ARG  26 -12.572  -2.480   3.997
  173    HE   ARG  26           HE       ARG  26 -12.867  -0.148   2.711
  174   HH11  ARG  26          HH11      ARG  26 -15.178  -2.635   3.564
  175   HH12  ARG  26          HH12      ARG  26 -16.511  -1.532   3.671
  176   HH21  ARG  26          HH21      ARG  26 -14.614   1.307   2.876
  177   HH22  ARG  26          HH22      ARG  26 -16.193   0.709   3.274
  178    H    TRP  27           H        TRP  27  -8.868   1.143   1.105
  179    HA   TRP  27           HA       TRP  27  -7.321   1.915   3.456
  180    HB2  TRP  27           HB2      TRP  27  -5.656   3.095   1.985
  181    HB3  TRP  27           HB1      TRP  27  -5.564   1.339   1.919
  182    HD1  TRP  27           HD1      TRP  27  -6.932   4.294  -0.182
  183    HE1  TRP  27           HE1      TRP  27  -6.930   3.582  -2.654
  184    HE3  TRP  27           HE3      TRP  27  -5.435  -0.563   0.370
  185    HZ2  TRP  27           HZ2      TRP  27  -6.350   1.279  -4.168
  186    HZ3  TRP  27           HZ3      TRP  27  -5.175  -1.952  -1.643
  187    HH2  TRP  27           HH2      TRP  27  -5.624  -1.049  -3.865
  188    H    SER  28           H        SER  28  -7.507   4.096   3.970
  189    HA   SER  28           HA       SER  28  -9.579   5.534   2.493
  190    HB2  SER  28           HB2      SER  28  -9.763   5.282   4.984
  191    HB3  SER  28           HB1      SER  28  -8.294   6.243   5.146
  192    HG   SER  28           HG       SER  28  -9.377   8.002   4.696
  193    H    ARG  29           H        ARG  29  -8.855   6.806   0.898
  194    HA   ARG  29           HA       ARG  29  -6.150   7.664   0.768
  195    HB2  ARG  29           HB2      ARG  29  -6.758   8.783  -1.293
  196    HB3  ARG  29           HB1      ARG  29  -7.425   7.161  -1.258
  197    HG2  ARG  29           HG2      ARG  29  -9.131   8.451  -2.151
  198    HG3  ARG  29           HG1      ARG  29  -9.587   8.281  -0.456
  199    HD2  ARG  29           HD2      ARG  29  -8.618  10.465   0.022
  200    HD3  ARG  29           HD1      ARG  29  -8.169  10.640  -1.671
  201    HE   ARG  29           HE       ARG  29 -10.907  10.161  -1.609
  202   HH11  ARG  29          HH11      ARG  29  -8.700  12.640  -0.461
  203   HH12  ARG  29          HH12      ARG  29  -9.870  13.916  -0.620
  204   HH21  ARG  29          HH21      ARG  29 -12.427  11.842  -1.829
  205   HH22  ARG  29          HH22      ARG  29 -11.985  13.464  -1.404
  206    HA   PRO  30           HA       PRO  30  -6.037  11.473   2.986
  207    HB2  PRO  30           HB2      PRO  30  -4.805  12.539   0.481
  208    HB3  PRO  30           HB1      PRO  30  -4.247  12.674   2.152
  209    HG2  PRO  30           HG2      PRO  30  -3.085  10.962   0.496
  210    HG3  PRO  30           HG1      PRO  30  -3.400  10.508   2.181
  211    HD2  PRO  30           HD2      PRO  30  -4.837   9.693  -0.301
  212    HD3  PRO  30           HD1      PRO  30  -4.501   8.760   1.164
  213    H1   MET  31           HT1      MET  31 -10.174  29.407   1.930
  214    H2   MET  31           HT2      MET  31  -8.962  29.890   0.857
  215    H3   MET  31           HT3      MET  31  -8.982  28.310   1.454
  216    HA   MET  31           HA       MET  31  -9.773  28.392  -0.816
  217    HB2  MET  31           HB2      MET  31 -10.638  26.665   0.680
  218    HB3  MET  31           HB1      MET  31 -11.894  27.758   1.243
  219    HG2  MET  31           HG2      MET  31 -12.731  26.113  -0.362
  220    HG3  MET  31           HG1      MET  31 -12.921  27.768  -0.933
  221    HE1  MET  31           HE1      MET  31 -12.999  24.923  -2.608
  222    HE2  MET  31           HE2      MET  31 -12.256  25.463  -4.114
  223    HE3  MET  31           HE3      MET  31 -13.444  26.483  -3.302
  224    H    ARG  32           H        ARG  32 -10.348  29.897  -2.213
  225    HA   ARG  32           HA       ARG  32 -12.770  31.457  -1.737
  226    HB2  ARG  32           HB2      ARG  32 -11.618  33.540  -2.448
  227    HB3  ARG  32           HB1      ARG  32 -11.027  32.914  -0.917
  228    HG2  ARG  32           HG2      ARG  32  -9.095  31.939  -2.078
  229    HG3  ARG  32           HG1      ARG  32  -9.682  32.624  -3.595
  230    HD2  ARG  32           HD2      ARG  32  -9.510  34.872  -2.634
  231    HD3  ARG  32           HD1      ARG  32  -8.909  34.179  -1.129
  232    HE   ARG  32           HE       ARG  32  -7.263  33.287  -3.196
  233   HH11  ARG  32          HH11      ARG  32  -8.088  36.274  -1.587
  234   HH12  ARG  32          HH12      ARG  32  -6.568  37.032  -1.931
  235   HH21  ARG  32          HH21      ARG  32  -5.252  34.270  -3.648
  236   HH22  ARG  32          HH22      ARG  32  -4.951  35.888  -3.094
  237    H    GLY  33           H        GLY  33 -11.923  29.237  -3.492
  238    HA2  GLY  33           HA2      GLY  33 -12.629  30.523  -6.048
  239    HA3  GLY  33           HA1      GLY  33 -11.356  29.309  -5.979
  240    H    SER  34           H        SER  34 -12.724  28.176  -7.561
  241    HA   SER  34           HA       SER  34 -15.212  27.069  -6.562
  242    HB2  SER  34           HB2      SER  34 -13.742  26.501  -9.149
  243    HB3  SER  34           HB1      SER  34 -15.411  26.066  -8.774
  244    HG   SER  34           HG       SER  34 -15.355  28.588  -8.309
  245    H    ASN  35           H        ASN  35 -11.980  25.919  -7.438
  246    HA   ASN  35           HA       ASN  35 -12.444  23.568  -5.734
  247    HB2  ASN  35           HB2      ASN  35 -11.097  23.610  -8.441
  248    HB3  ASN  35           HB1      ASN  35 -10.921  22.283  -7.300
  249   HD21  ASN  35          HD21      ASN  35 -13.031  23.900  -9.509
  250   HD22  ASN  35          HD22      ASN  35 -14.272  22.696  -9.533
  251    H    ALA  36           H        ALA  36 -10.780  23.032  -4.403
  252    HA   ALA  36           HA       ALA  36  -8.589  24.945  -4.226
  253    HB1  ALA  36           HB1      ALA  36  -9.833  24.395  -2.188
  254    HB2  ALA  36           HB2      ALA  36  -8.141  23.919  -2.052
  255    HB3  ALA  36           HB3      ALA  36  -9.377  22.701  -2.365
  256    HA   PRO  37           HA       PRO  37  -5.914  22.073  -6.376
  257    HB2  PRO  37           HB2      PRO  37  -3.579  23.410  -5.853
  258    HB3  PRO  37           HB1      PRO  37  -4.698  23.860  -7.144
  259    HG2  PRO  37           HG2      PRO  37  -4.368  25.041  -4.421
  260    HG3  PRO  37           HG1      PRO  37  -4.663  25.853  -5.969
  261    HD2  PRO  37           HD2      PRO  37  -6.619  25.432  -4.147
  262    HD3  PRO  37           HD1      PRO  37  -6.931  25.444  -5.894
  263    H    GLN  38           H        GLN  38  -5.738  20.197  -5.290
  264    HA   GLN  38           HA       GLN  38  -4.625  20.218  -2.589
  265    HB2  GLN  38           HB2      GLN  38  -6.114  18.078  -4.114
  266    HB3  GLN  38           HB1      GLN  38  -5.470  17.871  -2.491
  267    HG2  GLN  38           HG2      GLN  38  -7.499  19.954  -3.261
  268    HG3  GLN  38           HG1      GLN  38  -7.892  18.382  -2.570
  269   HE21  GLN  38          HE21      GLN  38  -8.842  19.282  -0.766
  270   HE22  GLN  38          HE22      GLN  38  -7.926  20.045   0.488
  271    HA   PRO  39           HA       PRO  39  -0.825  18.680  -4.431
  272    HB2  PRO  39           HB2      PRO  39   0.613  18.761  -2.123
  273    HB3  PRO  39           HB1      PRO  39   0.312  20.189  -3.120
  274    HG2  PRO  39           HG2      PRO  39  -1.044  19.303  -0.612
  275    HG3  PRO  39           HG1      PRO  39  -0.575  20.936  -1.116
  276    HD2  PRO  39           HD2      PRO  39  -3.120  19.985  -1.299
  277    HD3  PRO  39           HD1      PRO  39  -2.459  21.214  -2.394
  278    H    SER  40           H        SER  40  -2.673  17.503  -1.776
  279    HA   SER  40           HA       SER  40  -1.101  15.101  -1.416
  280    HB2  SER  40           HB2      SER  40  -3.689  15.877  -0.066
  281    HB3  SER  40           HB1      SER  40  -2.498  14.703   0.493
  282    HG   SER  40           HG       SER  40  -1.073  16.352   0.911
  283    H    HIS  41           H        HIS  41  -2.820  15.647  -3.925
  284    HA   HIS  41           HA       HIS  41  -4.728  13.473  -3.703
  285    HB2  HIS  41           HB2      HIS  41  -5.564  14.054  -5.842
  286    HB3  HIS  41           HB1      HIS  41  -5.251  15.571  -5.019
  287    HD1  HIS  41           HD1      HIS  41  -3.804  17.228  -6.213
  288    HD2  HIS  41           HD2      HIS  41  -3.630  13.436  -7.920
  289    HE1  HIS  41           HE1      HIS  41  -2.538  17.508  -8.367
  290    HE2  HIS  41           HE2      HIS  41  -2.670  15.255  -9.483
  291    H    ILE  42           H        ILE  42  -4.476  11.469  -4.429
  292    HA   ILE  42           HA       ILE  42  -1.773  10.697  -5.164
  293    HB   ILE  42           HB       ILE  42  -4.173   9.203  -4.164
  294   HG12  ILE  42          HG12      ILE  42  -2.520   8.357  -2.515
  295   HG13  ILE  42          HG11      ILE  42  -1.275   9.319  -3.301
  296   HG21  ILE  42          HG21      ILE  42  -3.014   7.072  -4.494
  297   HG22  ILE  42          HG22      ILE  42  -1.745   7.907  -5.390
  298   HG23  ILE  42          HG23      ILE  42  -3.388   7.857  -6.028
  299   HD11  ILE  42          HD11      ILE  42  -2.481  11.352  -2.702
  300   HD12  ILE  42          HD12      ILE  42  -2.071  10.388  -1.285
  301   HD13  ILE  42          HD13      ILE  42  -3.720  10.380  -1.911
  302    H    SER  43           H        SER  43  -1.150   9.891  -7.062
  303    HA   SER  43           HA       SER  43  -2.968  10.205  -9.297
  304    HB2  SER  43           HB2      SER  43  -0.911   9.894 -10.647
  305    HB3  SER  43           HB1      SER  43  -0.721  11.154  -9.426
  306    HG   SER  43           HG       SER  43   1.053   9.614  -9.597
  307    H    LYS  44           H        LYS  44  -1.241   7.663  -7.606
  308    HA   LYS  44           HA       LYS  44  -3.009   5.647  -8.595
  309    HB2  LYS  44           HB2      LYS  44  -1.301   4.253  -9.692
  310    HB3  LYS  44           HB1      LYS  44  -1.528   5.779 -10.533
  311    HG2  LYS  44           HG2      LYS  44   0.496   6.662  -9.508
  312    HG3  LYS  44           HG1      LYS  44   0.717   5.151  -8.623
  313    HD2  LYS  44           HD2      LYS  44   0.943   3.943 -10.732
  314    HD3  LYS  44           HD1      LYS  44   0.700   5.445 -11.626
  315    HE2  LYS  44           HE2      LYS  44   2.725   6.373 -10.677
  316    HE3  LYS  44           HE1      LYS  44   2.945   4.938  -9.679
  317    HZ1  LYS  44           HZ1      LYS  44   3.008   5.003 -12.644
  318    HZ2  LYS  44           HZ2      LYS  44   3.220   3.626 -11.684
  319    HZ3  LYS  44           HZ3      LYS  44   4.356   4.878 -11.628
  320    H    TYR  45           H        TYR  45  -2.779   3.661  -7.476
  321    HA   TYR  45           HA       TYR  45  -0.970   3.775  -5.142
  322    HB2  TYR  45           HB2      TYR  45  -3.405   2.012  -5.451
  323    HB3  TYR  45           HB1      TYR  45  -2.471   2.289  -3.994
  324    HD1  TYR  45           HD1      TYR  45  -2.678   4.456  -2.789
  325    HD2  TYR  45           HD2      TYR  45  -5.128   3.488  -6.127
  326    HE1  TYR  45           HE1      TYR  45  -4.262   6.223  -2.134
  327    HE2  TYR  45           HE2      TYR  45  -6.707   5.250  -5.485
  328    HH   TYR  45           HH       TYR  45  -7.366   6.456  -3.423
  329    H    ILE  46           H        ILE  46   0.606   2.289  -5.027
  330    HA   ILE  46           HA       ILE  46   0.531   0.064  -6.946
  331    HB   ILE  46           HB       ILE  46   2.851   1.391  -5.540
  332   HG12  ILE  46          HG12      ILE  46   3.674   1.562  -7.940
  333   HG13  ILE  46          HG11      ILE  46   2.072   1.034  -8.438
  334   HG21  ILE  46          HG21      ILE  46   2.880  -1.167  -7.129
  335   HG22  ILE  46          HG22      ILE  46   3.268  -0.975  -5.419
  336   HG23  ILE  46          HG23      ILE  46   4.315  -0.262  -6.646
  337   HD11  ILE  46          HD11      ILE  46   2.750   3.543  -6.925
  338   HD12  ILE  46          HD12      ILE  46   1.115   3.003  -7.303
  339   HD13  ILE  46          HD13      ILE  46   2.229   3.419  -8.605
  340    H    LEU  47           H        LEU  47  -0.184  -1.757  -6.135
  341    HA   LEU  47           HA       LEU  47   0.125  -2.316  -3.268
  342    HB2  LEU  47           HB2      LEU  47  -2.107  -2.435  -4.645
  343    HB3  LEU  47           HB1      LEU  47  -1.478  -3.969  -5.199
  344    HG   LEU  47           HG       LEU  47  -3.042  -4.333  -3.407
  345   HD11  LEU  47          HD11      LEU  47  -1.659  -5.566  -1.806
  346   HD12  LEU  47          HD12      LEU  47  -0.219  -4.806  -2.487
  347   HD13  LEU  47          HD13      LEU  47  -1.207  -5.876  -3.481
  348   HD21  LEU  47          HD21      LEU  47  -2.930  -2.187  -2.315
  349   HD22  LEU  47          HD22      LEU  47  -1.293  -2.526  -1.751
  350   HD23  LEU  47          HD23      LEU  47  -2.650  -3.478  -1.146
  351    H    ARG  48           H        ARG  48   1.811  -3.561  -2.720
  352    HA   ARG  48           HA       ARG  48   2.606  -5.717  -4.571
  353    HB2  ARG  48           HB2      ARG  48   4.541  -4.184  -2.830
  354    HB3  ARG  48           HB1      ARG  48   4.923  -5.369  -4.070
  355    HG2  ARG  48           HG2      ARG  48   4.042  -3.821  -5.775
  356    HG3  ARG  48           HG1      ARG  48   3.763  -2.630  -4.503
  357    HD2  ARG  48           HD2      ARG  48   6.403  -3.780  -5.387
  358    HD3  ARG  48           HD1      ARG  48   5.839  -2.118  -5.573
  359    HE   ARG  48           HE       ARG  48   5.778  -2.335  -2.944
  360   HH11  ARG  48          HH11      ARG  48   8.228  -3.384  -5.207
  361   HH12  ARG  48          HH12      ARG  48   9.532  -3.221  -4.078
  362   HH21  ARG  48          HH21      ARG  48   7.506  -2.126  -1.428
  363   HH22  ARG  48          HH22      ARG  48   9.121  -2.517  -1.933
  364    H    TRP  49           H        TRP  49   2.686  -7.691  -3.643
  365    HA   TRP  49           HA       TRP  49   3.034  -7.837  -0.739
  366    HB2  TRP  49           HB2      TRP  49   1.202  -9.366  -0.439
  367    HB3  TRP  49           HB1      TRP  49   0.588  -7.931  -1.246
  368    HD1  TRP  49           HD1      TRP  49   0.865 -11.654  -1.618
  369    HE1  TRP  49           HE1      TRP  49  -0.258 -12.400  -3.809
  370    HE3  TRP  49           HE3      TRP  49   0.213  -7.076  -3.780
  371    HZ2  TRP  49           HZ2      TRP  49  -1.290 -11.194  -6.151
  372    HZ3  TRP  49           HZ3      TRP  49  -0.854  -6.952  -5.991
  373    HH2  TRP  49           HH2      TRP  49  -1.587  -8.966  -7.154
  374    H    ARG  50           H        ARG  50   4.049  -9.658   0.012
  375    HA   ARG  50           HA       ARG  50   4.749 -11.717  -1.955
  376    HB2  ARG  50           HB2      ARG  50   7.044 -11.819  -1.104
  377    HB3  ARG  50           HB1      ARG  50   6.694 -10.235  -1.782
  378    HG2  ARG  50           HG2      ARG  50   6.588  -9.261   0.356
  379    HG3  ARG  50           HG1      ARG  50   6.524 -10.838   1.151
  380    HD2  ARG  50           HD2      ARG  50   8.816 -11.201  -0.043
  381    HD3  ARG  50           HD1      ARG  50   8.838  -9.439  -0.112
  382    HE   ARG  50           HE       ARG  50   8.173 -10.273   2.477
  383   HH11  ARG  50          HH11      ARG  50  10.926 -10.217   0.317
  384   HH12  ARG  50          HH12      ARG  50  12.087 -10.134   1.604
  385   HH21  ARG  50          HH21      ARG  50   9.666 -10.161   4.157
  386   HH22  ARG  50          HH22      ARG  50  11.371 -10.099   3.799
  387    HA   PRO  51           HA       PRO  51   3.535 -14.334   1.479
  388    HB2  PRO  51           HB2      PRO  51   4.628 -16.543  -0.072
  389    HB3  PRO  51           HB1      PRO  51   2.950 -16.218   0.360
  390    HG2  PRO  51           HG2      PRO  51   3.899 -16.023  -2.178
  391    HG3  PRO  51           HG1      PRO  51   2.542 -15.060  -1.573
  392    HD2  PRO  51           HD2      PRO  51   5.396 -14.276  -1.979
  393    HD3  PRO  51           HD1      PRO  51   3.910 -13.342  -2.260
  394    H    LYS  52           H        LYS  52   4.664 -14.945   3.225
  395    HA   LYS  52           HA       LYS  52   7.437 -14.516   3.395
  396    HB2  LYS  52           HB2      LYS  52   5.447 -15.837   5.220
  397    HB3  LYS  52           HB1      LYS  52   7.142 -15.693   5.650
  398    HG2  LYS  52           HG2      LYS  52   5.448 -13.330   4.894
  399    HG3  LYS  52           HG1      LYS  52   5.574 -13.914   6.552
  400    HD2  LYS  52           HD2      LYS  52   7.940 -13.114   4.861
  401    HD3  LYS  52           HD1      LYS  52   7.115 -12.022   5.970
  402    HE2  LYS  52           HE2      LYS  52   8.467 -14.612   6.727
  403    HE3  LYS  52           HE1      LYS  52   9.130 -12.999   6.972
  404    HZ1  LYS  52           HZ1      LYS  52   6.680 -14.103   8.230
  405    HZ2  LYS  52           HZ2      LYS  52   7.218 -12.510   8.412
  406    HZ3  LYS  52           HZ3      LYS  52   8.153 -13.789   8.999
  407    H    ASN  53           H        ASN  53   5.621 -17.319   2.540
  408    HA   ASN  53           HA       ASN  53   7.783 -19.175   2.975
  409    HB2  ASN  53           HB2      ASN  53   6.341 -20.848   1.994
  410    HB3  ASN  53           HB1      ASN  53   5.396 -19.875   3.114
  411   HD21  ASN  53          HD21      ASN  53   3.803 -18.521   2.327
  412   HD22  ASN  53          HD22      ASN  53   3.214 -18.627   0.700
  413    H    SER  54           H        SER  54   7.054 -16.898   0.632
  414    HA   SER  54           HA       SER  54   8.474 -18.352  -1.479
  415    HB2  SER  54           HB2      SER  54   6.944 -15.739  -1.610
  416    HB3  SER  54           HB1      SER  54   7.647 -16.595  -2.983
  417    HG   SER  54           HG       SER  54   6.236 -18.419  -2.048
  418    H    VAL  55           H        VAL  55  10.400 -17.577  -2.326
  419    HA   VAL  55           HA       VAL  55  11.640 -15.380  -0.829
  420    HB   VAL  55           HB       VAL  55  12.564 -17.687  -0.454
  421   HG11  VAL  55          HG11      VAL  55  12.305 -18.581  -2.695
  422   HG12  VAL  55          HG12      VAL  55  13.990 -18.667  -2.182
  423   HG13  VAL  55          HG13      VAL  55  13.476 -17.417  -3.312
  424   HG21  VAL  55          HG21      VAL  55  13.872 -15.726   0.021
  425   HG22  VAL  55          HG22      VAL  55  14.410 -15.650  -1.656
  426   HG23  VAL  55          HG23      VAL  55  14.900 -17.000  -0.632
  427    H    GLY  56           H        GLY  56  10.066 -15.606  -3.461
  428    HA2  GLY  56           HA2      GLY  56  12.054 -14.826  -5.430
  429    HA3  GLY  56           HA1      GLY  56  10.341 -15.077  -5.722
  430    H    ARG  57           H        ARG  57   9.461 -13.280  -6.445
  431    HA   ARG  57           HA       ARG  57  10.532 -10.698  -5.534
  432    HB2  ARG  57           HB2      ARG  57   8.797 -11.320  -7.929
  433    HB3  ARG  57           HB1      ARG  57   9.545  -9.774  -7.559
  434    HG2  ARG  57           HG2      ARG  57  11.748 -10.741  -7.871
  435    HG3  ARG  57           HG1      ARG  57  11.023 -12.318  -8.184
  436    HD2  ARG  57           HD2      ARG  57   9.857 -11.384 -10.125
  437    HD3  ARG  57           HD1      ARG  57  10.612  -9.821  -9.819
  438    HE   ARG  57           HE       ARG  57  12.727 -11.482 -10.038
  439   HH11  ARG  57          HH11      ARG  57   9.931 -10.888 -12.055
  440   HH12  ARG  57          HH12      ARG  57  10.751 -11.282 -13.531
  441   HH21  ARG  57          HH21      ARG  57  13.818 -12.003 -11.980
  442   HH22  ARG  57          HH22      ARG  57  12.963 -11.918 -13.488
  443    H    TRP  58           H        TRP  58   8.941  -8.904  -5.399
  444    HA   TRP  58           HA       TRP  58   6.596  -9.616  -3.890
  445    HB2  TRP  58           HB2      TRP  58   7.585  -6.964  -4.972
  446    HB3  TRP  58           HB1      TRP  58   6.145  -7.140  -3.983
  447    HD1  TRP  58           HD1      TRP  58   9.957  -7.836  -3.673
  448    HE1  TRP  58           HE1      TRP  58  10.637  -7.385  -1.231
  449    HE3  TRP  58           HE3      TRP  58   5.349  -6.771  -1.736
  450    HZ2  TRP  58           HZ2      TRP  58   9.381  -6.678   1.193
  451    HZ3  TRP  58           HZ3      TRP  58   5.176  -6.218   0.654
  452    HH2  TRP  58           HH2      TRP  58   7.150  -6.172   2.088
  453    H    LYS  59           H        LYS  59   4.588  -9.942  -4.697
  454    HA   LYS  59           HA       LYS  59   4.148  -9.706  -7.536
  455    HB2  LYS  59           HB2      LYS  59   2.209 -10.378  -5.311
  456    HB3  LYS  59           HB1      LYS  59   1.884 -10.531  -7.033
  457    HG2  LYS  59           HG2      LYS  59   3.683 -12.194  -7.208
  458    HG3  LYS  59           HG1      LYS  59   3.954 -12.063  -5.470
  459    HD2  LYS  59           HD2      LYS  59   2.597 -14.009  -5.947
  460    HD3  LYS  59           HD1      LYS  59   1.638 -12.810  -5.078
  461    HE2  LYS  59           HE2      LYS  59   0.566 -12.119  -7.119
  462    HE3  LYS  59           HE1      LYS  59   1.615 -13.165  -8.071
  463    HZ1  LYS  59           HZ1      LYS  59  -0.544 -14.166  -7.754
  464    HZ2  LYS  59           HZ2      LYS  59  -0.383 -14.067  -6.073
  465    HZ3  LYS  59           HZ3      LYS  59   0.636 -15.080  -6.961
  466    H    GLU  60           H        GLU  60   3.165  -8.045  -8.576
  467    HA   GLU  60           HA       GLU  60   2.478  -5.752  -6.865
  468    HB2  GLU  60           HB2      GLU  60   3.770  -5.654  -9.591
  469    HB3  GLU  60           HB1      GLU  60   3.467  -4.292  -8.521
  470    HG2  GLU  60           HG2      GLU  60   5.044  -5.193  -6.905
  471    HG3  GLU  60           HG1      GLU  60   5.325  -6.587  -7.946
  472    H    ALA  61           H        ALA  61   0.845  -4.400  -7.465
  473    HA   ALA  61           HA       ALA  61  -0.568  -4.856  -9.979
  474    HB1  ALA  61           HB1      ALA  61  -2.748  -4.866  -8.858
  475    HB2  ALA  61           HB2      ALA  61  -1.942  -4.835  -7.290
  476    HB3  ALA  61           HB3      ALA  61  -1.760  -6.235  -8.347
  477    H    THR  62           H        THR  62  -1.738  -3.001 -10.679
  478    HA   THR  62           HA       THR  62  -1.000  -0.545  -9.226
  479    HB   THR  62           HB       THR  62  -1.624  -0.774 -12.179
  480    HG1  THR  62           HG1      THR  62   0.313  -1.735 -12.073
  481   HG21  THR  62          HG21      THR  62  -0.370   1.448 -10.554
  482   HG22  THR  62          HG22      THR  62  -2.009   1.448 -11.207
  483   HG23  THR  62          HG23      THR  62  -0.624   1.460 -12.299
  484    H    ILE  63           H        ILE  63  -2.602   0.583  -8.368
  485    HA   ILE  63           HA       ILE  63  -5.336   0.135  -9.379
  486    HB   ILE  63           HB       ILE  63  -4.498   1.002  -6.602
  487   HG12  ILE  63          HG12      ILE  63  -5.729  -1.227  -6.049
  488   HG13  ILE  63          HG11      ILE  63  -5.394  -1.633  -7.728
  489   HG21  ILE  63          HG21      ILE  63  -6.860   0.797  -6.023
  490   HG22  ILE  63          HG22      ILE  63  -7.237   0.408  -7.698
  491   HG23  ILE  63          HG23      ILE  63  -6.612   2.003  -7.285
  492   HD11  ILE  63          HD11      ILE  63  -3.348  -0.955  -5.628
  493   HD12  ILE  63          HD12      ILE  63  -3.004  -1.353  -7.312
  494   HD13  ILE  63          HD13      ILE  63  -3.719  -2.564  -6.247
  495    HA   PRO  64           HA       PRO  64  -5.295   4.370 -10.847
  496    HB2  PRO  64           HB2      PRO  64  -8.198   4.018 -10.232
  497    HB3  PRO  64           HB1      PRO  64  -7.428   4.662 -11.689
  498    HG2  PRO  64           HG2      PRO  64  -8.429   2.204 -11.677
  499    HG3  PRO  64           HG1      PRO  64  -6.895   2.550 -12.497
  500    HD2  PRO  64           HD2      PRO  64  -7.388   1.178  -9.900
  501    HD3  PRO  64           HD1      PRO  64  -6.132   0.880 -11.117
  502    H    GLY  65           H        GLY  65  -5.247   6.341  -9.858
  503    HA2  GLY  65           HA2      GLY  65  -5.272   6.332  -6.989
  504    HA3  GLY  65           HA1      GLY  65  -4.856   7.685  -8.025
  505    H    HIS  66           H        HIS  66  -7.819   5.783  -7.572
  506    HA   HIS  66           HA       HIS  66  -9.159   7.919  -6.225
  507    HB2  HIS  66           HB2      HIS  66 -11.003   8.113  -7.965
  508    HB3  HIS  66           HB1      HIS  66  -9.482   8.900  -8.362
  509    HD1  HIS  66           HD1      HIS  66  -8.514   8.355 -10.576
  510    HD2  HIS  66           HD2      HIS  66 -11.316   5.533  -9.370
  511    HE1  HIS  66           HE1      HIS  66  -8.822   6.823 -12.543
  512    HE2  HIS  66           HE2      HIS  66 -10.645   5.239 -11.849
  513    H    LEU  67           H        LEU  67  -8.509   4.989  -6.161
  514    HA   LEU  67           HA       LEU  67 -11.231   4.028  -5.594
  515    HB2  LEU  67           HB2      LEU  67  -8.784   2.394  -6.285
  516    HB3  LEU  67           HB1      LEU  67 -10.365   1.745  -5.901
  517    HG   LEU  67           HG       LEU  67  -9.622   3.365  -8.333
  518   HD11  LEU  67          HD11      LEU  67 -10.237   1.332  -9.541
  519   HD12  LEU  67          HD12      LEU  67 -10.515   0.510  -8.005
  520   HD13  LEU  67          HD13      LEU  67  -8.897   1.061  -8.431
  521   HD21  LEU  67          HD21      LEU  67 -12.311   2.296  -7.490
  522   HD22  LEU  67          HD22      LEU  67 -11.938   2.999  -9.062
  523   HD23  LEU  67          HD23      LEU  67 -11.849   3.994  -7.610
  524    H    ASN  68           H        ASN  68 -11.284   2.421  -3.770
  525    HA   ASN  68           HA       ASN  68  -9.423   3.306  -1.663
  526    HB2  ASN  68           HB2      ASN  68 -12.393   2.877  -1.588
  527    HB3  ASN  68           HB1      ASN  68 -11.428   2.793  -0.119
  528   HD21  ASN  68          HD21      ASN  68 -10.460   4.641   0.671
  529   HD22  ASN  68          HD22      ASN  68 -10.958   6.221   0.159
  530    H    SER  69           H        SER  69 -10.232   0.668  -3.459
  531    HA   SER  69           HA       SER  69  -9.091  -1.114  -1.508
  532    HB2  SER  69           HB2      SER  69 -11.023  -2.716  -1.618
  533    HB3  SER  69           HB1      SER  69 -11.363  -1.223  -0.745
  534    HG   SER  69           HG       SER  69 -12.462  -0.452  -2.549
  535    H    TYR  70           H        TYR  70  -8.608  -3.215  -2.351
  536    HA   TYR  70           HA       TYR  70  -8.984  -3.597  -5.219
  537    HB2  TYR  70           HB2      TYR  70  -6.791  -2.520  -5.011
  538    HB3  TYR  70           HB1      TYR  70  -6.289  -3.743  -3.849
  539    HD1  TYR  70           HD1      TYR  70  -7.656  -3.538  -7.325
  540    HD2  TYR  70           HD2      TYR  70  -5.002  -5.491  -4.634
  541    HE1  TYR  70           HE1      TYR  70  -6.824  -4.935  -9.168
  542    HE2  TYR  70           HE2      TYR  70  -4.163  -6.894  -6.471
  543    HH   TYR  70           HH       TYR  70  -4.868  -6.236  -9.754
  544    H    THR  71           H        THR  71  -9.312  -5.686  -5.767
  545    HA   THR  71           HA       THR  71  -9.480  -7.619  -3.618
  546    HB   THR  71           HB       THR  71 -10.163  -7.963  -6.545
  547    HG1  THR  71           HG1      THR  71 -12.185  -7.695  -4.662
  548   HG21  THR  71          HG21      THR  71  -9.847 -10.079  -5.368
  549   HG22  THR  71          HG22      THR  71 -11.551  -9.826  -5.740
  550   HG23  THR  71          HG23      THR  71 -10.957  -9.556  -4.102
  551    H    ILE  72           H        ILE  72  -7.462  -8.310  -3.078
  552    HA   ILE  72           HA       ILE  72  -5.543  -9.089  -5.104
  553    HB   ILE  72           HB       ILE  72  -5.418  -9.582  -2.125
  554   HG12  ILE  72          HG12      ILE  72  -4.249  -7.302  -3.735
  555   HG13  ILE  72          HG11      ILE  72  -5.596  -7.174  -2.609
  556   HG21  ILE  72          HG21      ILE  72  -3.943 -11.008  -3.430
  557   HG22  ILE  72          HG22      ILE  72  -3.014  -9.825  -2.508
  558   HG23  ILE  72          HG23      ILE  72  -3.269  -9.592  -4.238
  559   HD11  ILE  72          HD11      ILE  72  -3.672  -6.375  -1.488
  560   HD12  ILE  72          HD12      ILE  72  -2.722  -7.776  -1.985
  561   HD13  ILE  72          HD13      ILE  72  -4.026  -7.968  -0.816
  562    H    LYS  73           H        LYS  73  -5.537 -11.022  -6.049
  563    HA   LYS  73           HA       LYS  73  -7.035 -13.189  -4.742
  564    HB2  LYS  73           HB2      LYS  73  -6.423 -12.849  -7.683
  565    HB3  LYS  73           HB1      LYS  73  -7.429 -14.099  -6.963
  566    HG2  LYS  73           HG2      LYS  73  -8.974 -12.340  -6.169
  567    HG3  LYS  73           HG1      LYS  73  -7.997 -11.145  -7.021
  568    HD2  LYS  73           HD2      LYS  73  -8.416 -12.384  -9.127
  569    HD3  LYS  73           HD1      LYS  73  -9.497 -13.460  -8.238
  570    HE2  LYS  73           HE2      LYS  73 -10.839 -11.471  -7.582
  571    HE3  LYS  73           HE1      LYS  73  -9.810 -10.485  -8.621
  572    HZ1  LYS  73           HZ1      LYS  73 -11.558 -12.725  -9.481
  573    HZ2  LYS  73           HZ2      LYS  73 -10.506 -11.880 -10.502
  574    HZ3  LYS  73           HZ3      LYS  73 -11.809 -11.080  -9.781
  575    H    GLY  74           H        GLY  74  -6.036 -15.019  -4.242
  576    HA2  GLY  74           HA2      GLY  74  -4.359 -16.710  -4.805
  577    HA3  GLY  74           HA1      GLY  74  -3.272 -15.391  -5.217
  578    H    LEU  75           H        LEU  75  -5.267 -14.975  -2.445
  579    HA   LEU  75           HA       LEU  75  -2.896 -15.319  -0.745
  580    HB2  LEU  75           HB2      LEU  75  -5.448 -13.816  -0.167
  581    HB3  LEU  75           HB1      LEU  75  -4.048 -13.901   0.883
  582    HG   LEU  75           HG       LEU  75  -4.307 -12.462  -1.749
  583   HD11  LEU  75          HD11      LEU  75  -3.697 -10.530  -0.423
  584   HD12  LEU  75          HD12      LEU  75  -3.527 -11.543   1.011
  585   HD13  LEU  75          HD13      LEU  75  -5.111 -11.328   0.267
  586   HD21  LEU  75          HD21      LEU  75  -2.162 -13.611  -1.760
  587   HD22  LEU  75          HD22      LEU  75  -1.797 -12.977  -0.155
  588   HD23  LEU  75          HD23      LEU  75  -1.937 -11.878  -1.528
  589    H    LYS  76           H        LYS  76  -2.807 -17.034   0.533
  590    HA   LYS  76           HA       LYS  76  -5.228 -18.562   1.080
  591    HB2  LYS  76           HB2      LYS  76  -2.336 -19.087   1.791
  592    HB3  LYS  76           HB1      LYS  76  -3.668 -20.186   2.115
  593    HG2  LYS  76           HG2      LYS  76  -4.072 -20.405  -0.286
  594    HG3  LYS  76           HG1      LYS  76  -2.729 -19.304  -0.608
  595    HD2  LYS  76           HD2      LYS  76  -1.181 -20.849   0.449
  596    HD3  LYS  76           HD1      LYS  76  -2.511 -21.935   0.854
  597    HE2  LYS  76           HE2      LYS  76  -1.341 -22.751  -1.094
  598    HE3  LYS  76           HE1      LYS  76  -2.966 -22.237  -1.539
  599    HZ1  LYS  76           HZ1      LYS  76  -0.492 -20.644  -1.939
  600    HZ2  LYS  76           HZ2      LYS  76  -2.048 -20.177  -2.398
  601    HZ3  LYS  76           HZ3      LYS  76  -1.309 -21.501  -3.146
  602    HA   PRO  77           HA       PRO  77  -5.741 -16.415   4.996
  603    HB2  PRO  77           HB2      PRO  77  -7.572 -18.678   5.533
  604    HB3  PRO  77           HB1      PRO  77  -7.890 -16.941   5.575
  605    HG2  PRO  77           HG2      PRO  77  -8.832 -18.480   3.600
  606    HG3  PRO  77           HG1      PRO  77  -8.279 -16.822   3.300
  607    HD2  PRO  77           HD2      PRO  77  -6.899 -19.415   2.733
  608    HD3  PRO  77           HD1      PRO  77  -6.944 -17.924   1.770
  609    H    GLY  78           H        GLY  78  -4.195 -16.649   6.476
  610    HA2  GLY  78           HA2      GLY  78  -3.582 -17.842   8.525
  611    HA3  GLY  78           HA1      GLY  78  -3.763 -19.341   7.622
  612    H    VAL  79           H        VAL  79  -2.507 -17.865   5.283
  613    HA   VAL  79           HA       VAL  79   0.258 -18.433   5.995
  614    HB   VAL  79           HB       VAL  79  -0.992 -17.700   3.333
  615   HG11  VAL  79          HG11      VAL  79   1.808 -18.613   3.955
  616   HG12  VAL  79          HG12      VAL  79   1.337 -17.002   3.407
  617   HG13  VAL  79          HG13      VAL  79   1.130 -18.395   2.342
  618   HG21  VAL  79          HG21      VAL  79  -0.562 -20.044   2.753
  619   HG22  VAL  79          HG22      VAL  79  -1.688 -19.889   4.104
  620   HG23  VAL  79          HG23      VAL  79  -0.006 -20.335   4.402
  621    H    VAL  80           H        VAL  80   1.811 -16.882   6.209
  622    HA   VAL  80           HA       VAL  80   0.843 -14.210   6.655
  623    HB   VAL  80           HB       VAL  80   3.657 -15.283   6.907
  624   HG11  VAL  80          HG11      VAL  80   3.575 -12.848   6.671
  625   HG12  VAL  80          HG12      VAL  80   4.062 -13.321   8.299
  626   HG13  VAL  80          HG13      VAL  80   2.417 -12.757   7.999
  627   HG21  VAL  80          HG21      VAL  80   2.101 -16.452   8.379
  628   HG22  VAL  80          HG22      VAL  80   1.515 -14.909   9.000
  629   HG23  VAL  80          HG23      VAL  80   3.179 -15.409   9.304
  630    H    TYR  81           H        TYR  81   0.610 -12.844   5.048
  631    HA   TYR  81           HA       TYR  81   2.681 -12.749   2.953
  632    HB2  TYR  81           HB2      TYR  81  -0.164 -11.713   2.893
  633    HB3  TYR  81           HB1      TYR  81   1.010 -11.499   1.605
  634    HD1  TYR  81           HD1      TYR  81  -1.052 -13.972   3.395
  635    HD2  TYR  81           HD2      TYR  81   1.449 -13.246   0.038
  636    HE1  TYR  81           HE1      TYR  81  -1.810 -16.079   2.386
  637    HE2  TYR  81           HE2      TYR  81   0.706 -15.360  -0.976
  638    HH   TYR  81           HH       TYR  81  -0.244 -17.507  -0.266
  639    H    GLU  82           H        GLU  82   3.872 -10.932   2.739
  640    HA   GLU  82           HA       GLU  82   3.198  -8.643   4.468
  641    HB2  GLU  82           HB2      GLU  82   5.763  -9.230   2.975
  642    HB3  GLU  82           HB1      GLU  82   5.495  -7.892   4.081
  643    HG2  GLU  82           HG2      GLU  82   5.152  -9.524   5.903
  644    HG3  GLU  82           HG1      GLU  82   5.556 -10.816   4.770
  645    H    GLY  83           H        GLY  83   2.609  -6.713   3.563
  646    HA2  GLY  83           HA2      GLY  83   3.100  -6.358   0.705
  647    HA3  GLY  83           HA1      GLY  83   1.426  -6.342   1.245
  648    H    GLN  84           H        GLN  84   2.594  -4.258  -0.105
  649    HA   GLN  84           HA       GLN  84   2.565  -2.161   1.942
  650    HB2  GLN  84           HB2      GLN  84   4.457  -1.991  -0.387
  651    HB3  GLN  84           HB1      GLN  84   4.480  -1.081   1.118
  652    HG2  GLN  84           HG2      GLN  84   5.037  -3.214   2.292
  653    HG3  GLN  84           HG1      GLN  84   5.220  -3.960   0.708
  654   HE21  GLN  84          HE21      GLN  84   7.157  -3.685   2.751
  655   HE22  GLN  84          HE22      GLN  84   8.467  -2.739   2.113
  656    H    LEU  85           H        LEU  85   1.334  -0.494   1.422
  657    HA   LEU  85           HA       LEU  85   0.299  -0.285  -1.315
  658    HB2  LEU  85           HB2      LEU  85  -1.275  -0.440   0.659
  659    HB3  LEU  85           HB1      LEU  85  -0.654   1.103   1.202
  660    HG   LEU  85           HG       LEU  85  -2.894   1.114  -0.007
  661   HD11  LEU  85          HD11      LEU  85  -1.572   3.138   0.375
  662   HD12  LEU  85          HD12      LEU  85  -2.449   3.192  -1.153
  663   HD13  LEU  85          HD13      LEU  85  -0.719   2.855  -1.143
  664   HD21  LEU  85          HD21      LEU  85  -2.220  -0.453  -1.793
  665   HD22  LEU  85          HD22      LEU  85  -1.142   0.784  -2.436
  666   HD23  LEU  85          HD23      LEU  85  -2.885   1.056  -2.410
  667    H    ILE  86           H        ILE  86   1.747   0.887  -2.465
  668    HA   ILE  86           HA       ILE  86   2.946   3.252  -1.209
  669    HB   ILE  86           HB       ILE  86   3.663   2.082  -3.904
  670   HG12  ILE  86          HG12      ILE  86   5.795   1.421  -2.472
  671   HG13  ILE  86          HG11      ILE  86   4.629   1.409  -1.155
  672   HG21  ILE  86          HG21      ILE  86   5.672   3.419  -3.701
  673   HG22  ILE  86          HG22      ILE  86   5.164   3.984  -2.109
  674   HG23  ILE  86          HG23      ILE  86   4.245   4.444  -3.545
  675   HD11  ILE  86          HD11      ILE  86   4.464  -0.230  -3.673
  676   HD12  ILE  86          HD12      ILE  86   3.292  -0.241  -2.354
  677   HD13  ILE  86          HD13      ILE  86   4.937  -0.808  -2.076
  678    H    SER  87           H        SER  87   1.886   5.081  -1.476
  679    HA   SER  87           HA       SER  87   0.187   5.433  -3.836
  680    HB2  SER  87           HB2      SER  87   0.400   7.165  -1.367
  681    HB3  SER  87           HB1      SER  87  -0.840   7.256  -2.615
  682    HG   SER  87           HG       SER  87  -0.434   4.838  -1.262
  683    H    ILE  88           H        ILE  88   0.699   6.795  -5.438
  684    HA   ILE  88           HA       ILE  88   3.109   8.449  -5.144
  685    HB   ILE  88           HB       ILE  88   1.553   7.845  -7.668
  686   HG12  ILE  88          HG12      ILE  88   2.460   5.772  -6.728
  687   HG13  ILE  88          HG11      ILE  88   3.327   6.223  -8.191
  688   HG21  ILE  88          HG21      ILE  88   3.584   8.603  -8.812
  689   HG22  ILE  88          HG22      ILE  88   4.316   8.983  -7.253
  690   HG23  ILE  88          HG23      ILE  88   2.892   9.869  -7.799
  691   HD11  ILE  88          HD11      ILE  88   5.163   7.081  -6.854
  692   HD12  ILE  88          HD12      ILE  88   4.828   5.393  -6.467
  693   HD13  ILE  88          HD13      ILE  88   4.291   6.671  -5.377
  694    H    GLN  89           H        GLN  89   2.924  10.601  -4.898
  695    HA   GLN  89           HA       GLN  89   0.258  11.772  -5.153
  696    HB2  GLN  89           HB2      GLN  89   2.781  12.803  -3.859
  697    HB3  GLN  89           HB1      GLN  89   1.294  13.728  -3.972
  698    HG2  GLN  89           HG2      GLN  89   0.151  11.971  -2.665
  699    HG3  GLN  89           HG1      GLN  89   1.703  11.149  -2.481
  700   HE21  GLN  89          HE21      GLN  89   1.698  11.394  -0.246
  701   HE22  GLN  89          HE22      GLN  89   1.975  12.926   0.519
  702    H    GLN  90           H        GLN  90   0.523  14.287  -5.620
  703    HA   GLN  90           HA       GLN  90   0.790  14.591  -8.349
  704    HB2  GLN  90           HB2      GLN  90  -0.427  16.137  -6.883
  705    HB3  GLN  90           HB1      GLN  90   1.093  16.696  -6.201
  706    HG2  GLN  90           HG2      GLN  90   1.734  17.427  -8.518
  707    HG3  GLN  90           HG1      GLN  90   0.072  17.089  -8.997
  708   HE21  GLN  90          HE21      GLN  90  -0.927  17.950  -6.346
  709   HE22  GLN  90          HE22      GLN  90  -0.878  19.676  -6.383
  710    H    TYR  91           H        TYR  91   3.179  15.296  -5.822
  711    HA   TYR  91           HA       TYR  91   5.049  16.366  -7.762
  712    HB2  TYR  91           HB2      TYR  91   5.396  15.922  -4.791
  713    HB3  TYR  91           HB1      TYR  91   6.458  16.862  -5.832
  714    HD1  TYR  91           HD1      TYR  91   5.715  19.044  -6.716
  715    HD2  TYR  91           HD2      TYR  91   3.330  16.823  -3.983
  716    HE1  TYR  91           HE1      TYR  91   4.384  21.059  -6.245
  717    HE2  TYR  91           HE2      TYR  91   1.996  18.828  -3.509
  718    HH   TYR  91           HH       TYR  91   2.233  21.691  -5.397
  719    H    GLY  92           H        GLY  92   4.215  13.376  -7.406
  720    HA2  GLY  92           HA2      GLY  92   5.280  11.392  -7.899
  721    HA3  GLY  92           HA1      GLY  92   6.778  12.296  -8.082
  722    H    HIS  93           H        HIS  93   5.113  12.775  -5.144
  723    HA   HIS  93           HA       HIS  93   7.273  11.604  -3.657
  724    HB2  HIS  93           HB2      HIS  93   5.684  13.689  -3.116
  725    HB3  HIS  93           HB1      HIS  93   4.754  12.440  -2.297
  726    HD1  HIS  93           HD1      HIS  93   5.514  11.815   0.019
  727    HD2  HIS  93           HD2      HIS  93   8.419  13.887  -2.131
  728    HE1  HIS  93           HE1      HIS  93   7.389  12.252   1.638
  729    HE2  HIS  93           HE2      HIS  93   9.048  13.647   0.361
  730    H    GLN  94           H        GLN  94   7.334   9.631  -2.756
  731    HA   GLN  94           HA       GLN  94   5.033   7.897  -3.278
  732    HB2  GLN  94           HB2      GLN  94   7.872   7.137  -2.568
  733    HB3  GLN  94           HB1      GLN  94   6.594   6.040  -3.075
  734    HG2  GLN  94           HG2      GLN  94   6.515   7.211  -5.252
  735    HG3  GLN  94           HG1      GLN  94   7.886   8.190  -4.737
  736   HE21  GLN  94          HE21      GLN  94   7.648   6.342  -6.975
  737   HE22  GLN  94          HE22      GLN  94   8.887   5.157  -6.758
  738    H    GLU  95           H        GLU  95   3.737   7.393  -1.666
  739    HA   GLU  95           HA       GLU  95   4.788   7.451   1.082
  740    HB2  GLU  95           HB2      GLU  95   1.914   7.462   0.135
  741    HB3  GLU  95           HB1      GLU  95   2.451   7.588   1.803
  742    HG2  GLU  95           HG2      GLU  95   2.877   9.590  -0.395
  743    HG3  GLU  95           HG1      GLU  95   1.831   9.756   1.013
  744    H    VAL  96           H        VAL  96   5.325   5.522   1.867
  745    HA   VAL  96           HA       VAL  96   4.076   3.147   0.672
  746    HB   VAL  96           HB       VAL  96   6.656   3.330   2.237
  747   HG11  VAL  96          HG11      VAL  96   5.601   1.143   2.420
  748   HG12  VAL  96          HG12      VAL  96   7.056   1.053   1.428
  749   HG13  VAL  96          HG13      VAL  96   5.466   1.047   0.665
  750   HG21  VAL  96          HG21      VAL  96   7.726   2.921   0.026
  751   HG22  VAL  96          HG22      VAL  96   6.921   4.484   0.152
  752   HG23  VAL  96          HG23      VAL  96   6.151   3.167  -0.733
  753    H    THR  97           H        THR  97   2.371   2.550   1.846
  754    HA   THR  97           HA       THR  97   2.629   2.493   4.773
  755    HB   THR  97           HB       THR  97   0.098   2.169   3.150
  756    HG1  THR  97           HG1      THR  97   1.444   4.476   4.097
  757   HG21  THR  97          HG21      THR  97  -0.990   2.808   5.256
  758   HG22  THR  97          HG22      THR  97   0.585   2.892   6.041
  759   HG23  THR  97          HG23      THR  97  -0.022   1.346   5.450
  760    H    ARG  98           H        ARG  98   3.237   0.574   5.561
  761    HA   ARG  98           HA       ARG  98   2.983  -1.799   3.910
  762    HB2  ARG  98           HB2      ARG  98   4.295  -1.438   6.607
  763    HB3  ARG  98           HB1      ARG  98   4.419  -2.864   5.586
  764    HG2  ARG  98           HG2      ARG  98   5.558  -1.553   3.875
  765    HG3  ARG  98           HG1      ARG  98   5.417  -0.111   4.881
  766    HD2  ARG  98           HD2      ARG  98   6.940  -2.627   5.548
  767    HD3  ARG  98           HD1      ARG  98   7.633  -1.071   5.096
  768    HE   ARG  98           HE       ARG  98   6.029  -0.626   7.314
  769   HH11  ARG  98          HH11      ARG  98   8.916  -2.423   6.513
  770   HH12  ARG  98          HH12      ARG  98   9.553  -2.367   8.124
  771   HH21  ARG  98          HH21      ARG  98   6.855  -0.557   9.446
  772   HH22  ARG  98          HH22      ARG  98   8.386  -1.296   9.791
  773    H    PHE  99           H        PHE  99   1.987  -3.720   4.521
  774    HA   PHE  99           HA       PHE  99   0.464  -3.845   6.986
  775    HB2  PHE  99           HB2      PHE  99  -1.665  -4.356   5.872
  776    HB3  PHE  99           HB1      PHE  99  -1.115  -2.737   5.462
  777    HD1  PHE  99           HD1      PHE  99  -0.311  -2.234   3.206
  778    HD2  PHE  99           HD2      PHE  99  -1.824  -6.082   4.219
  779    HE1  PHE  99           HE1      PHE  99  -0.550  -2.764   0.817
  780    HE2  PHE  99           HE2      PHE  99  -2.062  -6.618   1.829
  781    HZ   PHE  99           HZ       PHE  99  -1.426  -4.960   0.127
  782    H    ASP 100           H        ASP 100  -0.813  -6.086   6.916
  783    HA   ASP 100           HA       ASP 100   0.685  -8.109   5.435
  784    HB2  ASP 100           HB2      ASP 100   1.236  -9.420   7.367
  785    HB3  ASP 100           HB1      ASP 100   1.819  -7.788   7.666
  786    H    PHE 101           H        PHE 101  -0.335 -10.344   5.842
  787    HA   PHE 101           HA       PHE 101  -3.216 -10.069   6.384
  788    HB2  PHE 101           HB2      PHE 101  -3.053 -10.080   3.990
  789    HB3  PHE 101           HB1      PHE 101  -1.938 -11.442   4.012
  790    HD1  PHE 101           HD1      PHE 101  -5.318 -10.721   5.440
  791    HD2  PHE 101           HD2      PHE 101  -2.859 -13.372   3.204
  792    HE1  PHE 101           HE1      PHE 101  -7.221 -12.257   5.171
  793    HE2  PHE 101           HE2      PHE 101  -4.753 -14.915   2.933
  794    HZ   PHE 101           HZ       PHE 101  -6.941 -14.358   3.918
  795    H    THR 102           H        THR 102  -4.096 -11.610   7.569
  796    HA   THR 102           HA       THR 102  -4.124 -13.136   9.235
  797    HB   THR 102           HB       THR 102  -3.670 -15.508   8.371
  798    HG1  THR 102           HG1      THR 102  -2.413 -14.412   6.486
  799   HG21  THR 102          HG21      THR 102  -5.686 -13.743   6.985
  800   HG22  THR 102          HG22      THR 102  -5.888 -14.500   8.564
  801   HG23  THR 102          HG23      THR 102  -5.766 -15.499   7.117
  802    H    THR 103           H        THR 103  -1.812 -11.744   9.584
  803    HA   THR 103           HA       THR 103   0.149 -13.766  10.381
  804    HB   THR 103           HB       THR 103   0.324 -10.790  10.875
  805    HG1  THR 103           HG1      THR 103   0.284 -10.803   8.716
  806   HG21  THR 103          HG21      THR 103   1.874 -12.202  12.145
  807   HG22  THR 103          HG22      THR 103   2.731 -11.226  10.954
  808   HG23  THR 103          HG23      THR 103   2.437 -12.937  10.644
  809    H    THR 104           H        THR 104  -2.240 -11.556  11.621
  810    HA   THR 104           HA       THR 104  -1.547 -11.964  14.388
  811    HB   THR 104           HB       THR 104  -4.045 -10.666  13.292
  812    HG1  THR 104           HG1      THR 104  -2.875  -8.749  13.247
  813   HG21  THR 104          HG21      THR 104  -2.537 -10.213  15.868
  814   HG22  THR 104          HG22      THR 104  -4.011 -11.167  15.716
  815   HG23  THR 104          HG23      THR 104  -4.043  -9.436  15.382
  816    H    SER 105           H        SER 105  -1.764 -14.382  13.937
  817    HA   SER 105           HA       SER 105  -4.506 -15.350  13.936
  818    HB2  SER 105           HB2      SER 105  -1.908 -16.902  13.976
  819    HB3  SER 105           HB1      SER 105  -3.515 -17.558  13.666
  820    HG   SER 105           HG       SER 105  -1.846 -16.608  11.900
  821    H    THR 106           H        THR 106  -3.465 -13.863  16.222
  822    HA   THR 106           HA       THR 106  -3.140 -15.785  18.346
  823    HB   THR 106           HB       THR 106  -3.505 -13.516  19.693
  824    HG1  THR 106           HG1      THR 106  -4.007 -12.141  18.048
  825   HG21  THR 106          HG21      THR 106  -1.082 -13.103  19.493
  826   HG22  THR 106          HG22      THR 106  -1.023 -14.191  18.107
  827   HG23  THR 106          HG23      THR 106  -1.448 -14.814  19.701
  828    H    SER 107           H        SER 107  -5.382 -16.577  17.287
  829    HA   SER 107           HA       SER 107  -7.708 -15.280  18.364
  830    HB2  SER 107           HB2      SER 107  -7.532 -18.110  17.318
  831    HB3  SER 107           HB1      SER 107  -8.943 -17.052  17.355
  832    HG   SER 107           HG       SER 107  -7.334 -15.669  15.978
  833    H    THR 108           H        THR 108  -5.794 -18.148  19.107
  834    HA   THR 108           HA       THR 108  -6.660 -17.920  21.896
  835    HB   THR 108           HB       THR 108  -6.368 -20.575  20.464
  836    HG1  THR 108           HG1      THR 108  -8.322 -20.001  19.787
  837   HG21  THR 108          HG21      THR 108  -5.818 -20.667  22.846
  838   HG22  THR 108          HG22      THR 108  -7.337 -21.503  22.523
  839   HG23  THR 108          HG23      THR 108  -7.351 -19.891  23.238
  840    HA   PRO 109           HA       PRO 109  -2.069 -18.086  21.485
  841    HB2  PRO 109           HB2      PRO 109  -1.949 -15.925  23.386
  842    HB3  PRO 109           HB1      PRO 109  -1.508 -15.904  21.679
  843    HG2  PRO 109           HG2      PRO 109  -3.642 -14.538  22.731
  844    HG3  PRO 109           HG1      PRO 109  -3.529 -15.058  21.042
  845    HD2  PRO 109           HD2      PRO 109  -5.012 -16.312  23.317
  846    HD3  PRO 109           HD1      PRO 109  -5.503 -16.120  21.618
  847    H    GLY 110           H        GLY 110  -0.643 -19.063  22.838
  848    HA2  GLY 110           HA2      GLY 110  -1.681 -20.192  25.280
  849    HA3  GLY 110           HA1      GLY 110  -0.104 -20.505  24.569
  850    H    SER 111           H        SER 111  -1.610 -19.200  27.161
  851    HA   SER 111           HA       SER 111   0.209 -16.960  27.535
  852    HB2  SER 111           HB2      SER 111  -1.222 -16.726  29.680
  853    HB3  SER 111           HB1      SER 111  -1.987 -16.385  28.127
  854    HG   SER 111           HG       SER 111  -3.381 -17.832  28.711
  855    H    ARG 112           H        ARG 112  -0.793 -19.864  29.352
  856    HA   ARG 112           HA       ARG 112   0.235 -21.096  30.964
  857    HB2  ARG 112           HB2      ARG 112   2.722 -20.173  29.508
  858    HB3  ARG 112           HB1      ARG 112   2.679 -21.463  30.700
  859    HG2  ARG 112           HG2      ARG 112   1.205 -21.462  28.074
  860    HG3  ARG 112           HG1      ARG 112   2.710 -22.318  28.410
  861    HD2  ARG 112           HD2      ARG 112   1.549 -23.599  30.172
  862    HD3  ARG 112           HD1      ARG 112   0.048 -22.778  29.748
  863    HE   ARG 112           HE       ARG 112   1.016 -23.918  27.416
  864   HH11  ARG 112          HH11      ARG 112  -0.125 -24.987  30.543
  865   HH12  ARG 112          HH12      ARG 112  -0.674 -26.525  29.959
  866   HH21  ARG 112          HH21      ARG 112   0.285 -25.938  26.638
  867   HH22  ARG 112          HH22      ARG 112  -0.456 -27.060  27.733
  868    H    SER 113           H        SER 113  -0.550 -19.521  32.508
  869    HA   SER 113           HA       SER 113   0.862 -17.192  33.207
  870    HB2  SER 113           HB2      SER 113  -0.632 -17.320  35.281
  871    HB3  SER 113           HB1      SER 113  -1.438 -17.250  33.715
  872    HG   SER 113           HG       SER 113  -1.932 -18.984  35.495
  873    H    HIS 114           H        HIS 114   1.155 -20.486  34.307
  874    HA   HIS 114           HA       HIS 114   2.584 -19.899  36.711
  875    HB2  HIS 114           HB2      HIS 114   1.328 -22.023  36.277
  876    HB3  HIS 114           HB1      HIS 114   2.568 -22.473  35.117
  877    HD1  HIS 114           HD1      HIS 114   1.875 -22.274  38.769
  878    HD2  HIS 114           HD2      HIS 114   5.010 -23.310  36.247
  879    HE1  HIS 114           HE1      HIS 114   3.540 -23.473  40.218
  880    HE2  HIS 114           HE2      HIS 114   5.336 -24.246  38.634
  881    H    HIS 115           H        HIS 115   3.423 -19.685  33.466
  882    HA   HIS 115           HA       HIS 115   6.271 -20.148  33.978
  883    HB2  HIS 115           HB2      HIS 115   4.726 -19.684  31.427
  884    HB3  HIS 115           HB1      HIS 115   6.483 -19.704  31.486
  885    HD1  HIS 115           HD1      HIS 115   5.184 -21.746  29.731
  886    HD2  HIS 115           HD2      HIS 115   5.958 -22.431  33.757
  887    HE1  HIS 115           HE1      HIS 115   5.279 -24.242  29.987
  888    HE2  HIS 115           HE2      HIS 115   5.964 -24.617  32.377
  889    H    HIS 116           H        HIS 116   4.456 -17.796  34.819
  890    HA   HIS 116           HA       HIS 116   6.261 -15.679  33.837
  891    HB2  HIS 116           HB2      HIS 116   3.333 -15.488  34.577
  892    HB3  HIS 116           HB1      HIS 116   4.366 -14.089  34.315
  893    HD1  HIS 116           HD1      HIS 116   4.331 -13.190  32.017
  894    HD2  HIS 116           HD2      HIS 116   3.208 -17.186  32.132
  895    HE1  HIS 116           HE1      HIS 116   3.654 -13.768  29.666
  896    HE2  HIS 116           HE2      HIS 116   2.840 -16.150  29.795
  897    H    HIS 117           H        HIS 117   7.706 -15.425  35.456
  898    HA   HIS 117           HA       HIS 117   7.038 -15.709  38.211
  899    HB2  HIS 117           HB2      HIS 117   9.434 -14.558  36.795
  900    HB3  HIS 117           HB1      HIS 117   9.286 -14.520  38.547
  901    HD1  HIS 117           HD1      HIS 117  10.877 -16.422  36.082
  902    HD2  HIS 117           HD2      HIS 117   8.633 -17.407  39.440
  903    HE1  HIS 117           HE1      HIS 117  11.542 -18.772  36.674
  904    HE2  HIS 117           HE2      HIS 117  10.069 -19.397  38.618
  905    H    HIS 118           H        HIS 118   7.013 -13.081  35.947
  906    HA   HIS 118           HA       HIS 118   6.676 -11.042  37.957
  907    HB2  HIS 118           HB2      HIS 118   6.435 -10.997  34.948
  908    HB3  HIS 118           HB1      HIS 118   6.118  -9.589  35.953
  909    HD1  HIS 118           HD1      HIS 118   8.883 -11.695  34.609
  910    HD2  HIS 118           HD2      HIS 118   8.389  -8.406  37.101
  911    HE1  HIS 118           HE1      HIS 118  11.184 -10.732  34.921
  912    HE2  HIS 118           HE2      HIS 118  10.820  -8.624  36.252
  913    H    HIS 119           H        HIS 119   4.928 -12.186  39.015
  914    HA   HIS 119           HA       HIS 119   2.338 -11.523  37.787
  915    HB2  HIS 119           HB2      HIS 119   2.593 -13.951  37.853
  916    HB3  HIS 119           HB1      HIS 119   3.018 -13.887  39.559
  917    HD1  HIS 119           HD1      HIS 119   0.069 -13.378  37.251
  918    HD2  HIS 119           HD2      HIS 119   0.881 -13.919  41.292
  919    HE1  HIS 119           HE1      HIS 119  -2.165 -13.710  38.353
  920    HE2  HIS 119           HE2      HIS 119  -1.657 -13.998  40.802
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -3.602  28.943  14.834
    2    H2   GLY   1           HT2      GLY   1  -3.819  29.670  13.322
    3    H3   GLY   1           HT3      GLY   1  -2.695  28.425  13.507
    4    HA2  GLY   1           HA1      GLY   1  -5.630  28.159  13.790
    5    HA3  GLY   1           HA2      GLY   1  -4.681  27.618  12.413
    6    H    SER   2           H        SER   2  -6.360  25.976  14.021
    7    HA   SER   2           HA       SER   2  -4.474  24.397  15.601
    8    HB2  SER   2           HB2      SER   2  -6.681  25.009  16.588
    9    HB3  SER   2           HB1      SER   2  -7.472  24.072  15.323
   10    HG   SER   2           HG       SER   2  -6.721  22.224  16.185
   11    H    GLN   3           H        GLN   3  -6.804  24.007  12.932
   12    HA   GLN   3           HA       GLN   3  -6.008  21.273  12.511
   13    HB2  GLN   3           HB2      GLN   3  -8.322  22.003  12.081
   14    HB3  GLN   3           HB1      GLN   3  -7.744  23.059  10.799
   15    HG2  GLN   3           HG2      GLN   3  -6.931  21.126   9.559
   16    HG3  GLN   3           HG1      GLN   3  -7.493  20.061  10.844
   17   HE21  GLN   3          HE21      GLN   3  -9.248  22.882   9.750
   18   HE22  GLN   3          HE22      GLN   3 -10.563  22.016   9.032
   19    H    THR   4           H        THR   4  -3.924  21.119  11.905
   20    HA   THR   4           HA       THR   4  -3.226  22.368   9.332
   21    HB   THR   4           HB       THR   4  -1.249  21.730  11.531
   22    HG1  THR   4           HG1      THR   4  -2.642  24.131  10.902
   23   HG21  THR   4          HG21      THR   4  -1.025  23.415   9.029
   24   HG22  THR   4          HG22      THR   4  -0.326  21.812   9.257
   25   HG23  THR   4          HG23      THR   4   0.247  23.170  10.228
   26    H    THR   5           H        THR   5  -3.659  20.633   8.035
   27    HA   THR   5           HA       THR   5  -2.918  17.968   8.772
   28    HB   THR   5           HB       THR   5  -4.873  18.314   7.362
   29    HG1  THR   5           HG1      THR   5  -3.962  16.945   5.472
   30   HG21  THR   5          HG21      THR   5  -2.934  19.350   5.294
   31   HG22  THR   5          HG22      THR   5  -4.150  20.300   6.148
   32   HG23  THR   5          HG23      THR   5  -4.648  19.032   5.028
   33    H    ALA   6           H        ALA   6  -1.328  16.685   7.820
   34    HA   ALA   6           HA       ALA   6   0.713  17.970   6.218
   35    HB1  ALA   6           HB1      ALA   6   1.333  18.571   8.511
   36    HB2  ALA   6           HB2      ALA   6   2.531  17.521   7.754
   37    HB3  ALA   6           HB3      ALA   6   1.401  16.862   8.934
   38    HA   PRO   7           HA       PRO   7   1.556  13.164   6.555
   39    HB2  PRO   7           HB2      PRO   7  -1.098  12.217   7.472
   40    HB3  PRO   7           HB1      PRO   7   0.515  11.654   7.919
   41    HG2  PRO   7           HG2      PRO   7  -0.944  13.086   9.623
   42    HG3  PRO   7           HG1      PRO   7   0.809  13.330   9.495
   43    HD2  PRO   7           HD2      PRO   7  -1.422  14.968   8.346
   44    HD3  PRO   7           HD1      PRO   7   0.078  15.504   9.132
   45    H    ASP   8           H        ASP   8   1.547  13.190   4.375
   46    HA   ASP   8           HA       ASP   8  -1.007  13.061   2.951
   47    HB2  ASP   8           HB2      ASP   8   0.306  13.491   0.917
   48    HB3  ASP   8           HB1      ASP   8   0.599  14.725   2.135
   49    H    ALA   9           H        ALA   9   0.544  10.925   4.505
   50    HA   ALA   9           HA       ALA   9   0.751   8.873   2.438
   51    HB1  ALA   9           HB1      ALA   9   1.653   7.460   4.227
   52    HB2  ALA   9           HB2      ALA   9   1.391   8.765   5.383
   53    HB3  ALA   9           HB3      ALA   9   2.552   8.967   4.072
   54    HA   PRO  10           HA       PRO  10  -3.386   7.418   3.355
   55    HB2  PRO  10           HB2      PRO  10  -2.404   4.825   2.340
   56    HB3  PRO  10           HB1      PRO  10  -3.730   5.832   1.749
   57    HG2  PRO  10           HG2      PRO  10  -1.432   5.600   0.389
   58    HG3  PRO  10           HG1      PRO  10  -2.342   7.120   0.431
   59    HD2  PRO  10           HD2      PRO  10   0.116   6.352   1.939
   60    HD3  PRO  10           HD1      PRO  10  -0.299   7.885   1.194
   61    HA   PRO  11           HA       PRO  11  -2.546   5.648   7.419
   62    HB2  PRO  11           HB2      PRO  11  -5.484   5.193   7.137
   63    HB3  PRO  11           HB1      PRO  11  -4.576   5.874   8.493
   64    HG2  PRO  11           HG2      PRO  11  -5.949   7.469   6.885
   65    HG3  PRO  11           HG1      PRO  11  -4.343   7.947   7.465
   66    HD2  PRO  11           HD2      PRO  11  -5.160   6.919   4.782
   67    HD3  PRO  11           HD1      PRO  11  -3.955   8.154   5.200
   68    H    ASP  12           H        ASP  12  -2.596   3.611   8.345
   69    HA   ASP  12           HA       ASP  12  -1.929   1.472   6.813
   70    HB2  ASP  12           HB2      ASP  12  -3.228   1.443   9.540
   71    HB3  ASP  12           HB1      ASP  12  -2.439   0.052   8.805
   72    HA   PRO  13           HA       PRO  13  -5.789   0.390   4.812
   73    HB2  PRO  13           HB2      PRO  13  -4.170  -1.920   3.917
   74    HB3  PRO  13           HB1      PRO  13  -5.061  -0.733   2.960
   75    HG2  PRO  13           HG2      PRO  13  -2.394  -0.692   3.070
   76    HG3  PRO  13           HG1      PRO  13  -3.336   0.811   3.028
   77    HD2  PRO  13           HD2      PRO  13  -2.015  -0.533   5.353
   78    HD3  PRO  13           HD1      PRO  13  -2.104   1.194   4.946
   79    H    THR  14           H        THR  14  -7.396  -1.076   5.148
   80    HA   THR  14           HA       THR  14  -6.890  -3.138   7.196
   81    HB   THR  14           HB       THR  14  -9.602  -2.021   6.510
   82    HG1  THR  14           HG1      THR  14  -7.989  -1.072   8.654
   83   HG21  THR  14          HG21      THR  14  -8.481  -3.320   8.996
   84   HG22  THR  14          HG22      THR  14  -9.543  -4.086   7.814
   85   HG23  THR  14          HG23      THR  14 -10.136  -2.745   8.795
   86    H    VAL  15           H        VAL  15  -7.488  -5.227   6.778
   87    HA   VAL  15           HA       VAL  15  -8.363  -5.790   4.037
   88    HB   VAL  15           HB       VAL  15  -6.989  -7.552   6.076
   89   HG11  VAL  15          HG11      VAL  15  -8.529  -8.904   4.794
   90   HG12  VAL  15          HG12      VAL  15  -6.876  -9.237   4.277
   91   HG13  VAL  15          HG13      VAL  15  -7.921  -8.217   3.289
   92   HG21  VAL  15          HG21      VAL  15  -5.141  -7.537   4.457
   93   HG22  VAL  15          HG22      VAL  15  -5.518  -5.915   5.038
   94   HG23  VAL  15          HG23      VAL  15  -6.054  -6.426   3.435
   95    H    ASP  16           H        ASP  16 -10.386  -6.371   3.706
   96    HA   ASP  16           HA       ASP  16 -11.864  -7.694   5.887
   97    HB2  ASP  16           HB2      ASP  16 -12.737  -5.453   4.084
   98    HB3  ASP  16           HB1      ASP  16 -13.918  -6.544   4.801
   99    H    GLN  17           H        GLN  17 -13.804  -8.863   5.097
  100    HA   GLN  17           HA       GLN  17 -14.658 -10.618   3.946
  101    HB2  GLN  17           HB2      GLN  17 -14.087  -8.829   1.586
  102    HB3  GLN  17           HB1      GLN  17 -15.234 -10.139   1.623
  103    HG2  GLN  17           HG2      GLN  17 -16.464  -8.932   3.418
  104    HG3  GLN  17           HG1      GLN  17 -15.367  -7.574   3.178
  105   HE21  GLN  17          HE21      GLN  17 -18.236  -7.682   2.859
  106   HE22  GLN  17          HE22      GLN  17 -18.566  -7.231   1.222
  107    H    VAL  18           H        VAL  18 -12.649 -11.801   4.580
  108    HA   VAL  18           HA       VAL  18 -10.794 -12.328   2.418
  109    HB   VAL  18           HB       VAL  18  -9.818 -12.196   4.607
  110   HG11  VAL  18          HG11      VAL  18 -10.374 -13.764   6.408
  111   HG12  VAL  18          HG12      VAL  18 -11.677 -14.424   5.421
  112   HG13  VAL  18          HG13      VAL  18 -11.747 -12.750   5.967
  113   HG21  VAL  18          HG21      VAL  18  -9.877 -15.067   3.688
  114   HG22  VAL  18          HG22      VAL  18  -8.670 -14.351   4.755
  115   HG23  VAL  18          HG23      VAL  18  -8.807 -13.803   3.084
  116    H    ASP  19           H        ASP  19 -11.124 -13.798   0.930
  117    HA   ASP  19           HA       ASP  19 -13.094 -15.929   1.371
  118    HB2  ASP  19           HB2      ASP  19 -11.681 -15.083  -1.173
  119    HB3  ASP  19           HB1      ASP  19 -12.950 -16.292  -1.055
  120    H    ASP  20           H        ASP  20 -12.023 -17.679  -0.607
  121    HA   ASP  20           HA       ASP  20 -10.195 -19.180   0.951
  122    HB2  ASP  20           HB2      ASP  20 -10.844 -19.478  -1.990
  123    HB3  ASP  20           HB1      ASP  20 -10.067 -20.687  -0.974
  124    H    THR  21           H        THR  21  -9.825 -17.267  -2.020
  125    HA   THR  21           HA       THR  21  -6.953 -17.073  -1.445
  126    HB   THR  21           HB       THR  21  -6.540 -17.233  -3.946
  127    HG1  THR  21           HG1      THR  21  -9.262 -17.850  -3.824
  128   HG21  THR  21          HG21      THR  21  -5.915 -19.033  -2.440
  129   HG22  THR  21          HG22      THR  21  -6.537 -19.693  -3.952
  130   HG23  THR  21          HG23      THR  21  -7.550 -19.688  -2.509
  131    H    SER  22           H        SER  22  -9.331 -15.201  -1.234
  132    HA   SER  22           HA       SER  22  -8.065 -12.984  -2.634
  133    HB2  SER  22           HB2      SER  22 -10.374 -12.191  -3.393
  134    HB3  SER  22           HB1      SER  22  -9.676 -13.550  -4.273
  135    HG   SER  22           HG       SER  22 -11.791 -13.523  -2.400
  136    H    ILE  23           H        ILE  23  -8.392 -10.978  -1.716
  137    HA   ILE  23           HA       ILE  23 -10.078 -10.826   0.694
  138    HB   ILE  23           HB       ILE  23  -8.393  -9.554   1.889
  139   HG12  ILE  23          HG12      ILE  23  -6.386 -10.175  -0.262
  140   HG13  ILE  23          HG11      ILE  23  -7.370  -8.719  -0.341
  141   HG21  ILE  23          HG21      ILE  23  -7.273 -12.153   0.857
  142   HG22  ILE  23          HG22      ILE  23  -8.357 -11.949   2.233
  143   HG23  ILE  23          HG23      ILE  23  -6.717 -11.305   2.299
  144   HD11  ILE  23          HD11      ILE  23  -5.315  -9.469   1.705
  145   HD12  ILE  23          HD12      ILE  23  -6.487  -8.179   1.966
  146   HD13  ILE  23          HD13      ILE  23  -5.344  -8.070   0.628
  147    H    VAL  24           H        VAL  24 -10.688  -8.617   1.240
  148    HA   VAL  24           HA       VAL  24 -10.374  -6.736  -1.002
  149    HB   VAL  24           HB       VAL  24 -12.336  -6.611   1.302
  150   HG11  VAL  24          HG11      VAL  24 -12.139  -4.948  -1.209
  151   HG12  VAL  24          HG12      VAL  24 -11.759  -4.409   0.426
  152   HG13  VAL  24          HG13      VAL  24 -13.416  -4.838   0.003
  153   HG21  VAL  24          HG21      VAL  24 -14.040  -7.213  -0.336
  154   HG22  VAL  24          HG22      VAL  24 -12.815  -8.476  -0.205
  155   HG23  VAL  24          HG23      VAL  24 -12.800  -7.372  -1.581
  156    H    VAL  25           H        VAL  25  -8.586  -5.572  -0.685
  157    HA   VAL  25           HA       VAL  25  -7.961  -4.642   2.025
  158    HB   VAL  25           HB       VAL  25  -6.073  -5.734   1.089
  159   HG11  VAL  25          HG11      VAL  25  -6.506  -4.084  -1.385
  160   HG12  VAL  25          HG12      VAL  25  -6.664  -5.834  -1.214
  161   HG13  VAL  25          HG13      VAL  25  -5.079  -5.075  -1.080
  162   HG21  VAL  25          HG21      VAL  25  -4.388  -3.972   0.896
  163   HG22  VAL  25          HG22      VAL  25  -5.493  -3.690   2.245
  164   HG23  VAL  25          HG23      VAL  25  -5.671  -2.770   0.750
  165    H    ARG  26           H        ARG  26  -8.461  -2.655   2.573
  166    HA   ARG  26           HA       ARG  26  -8.774  -0.628   0.456
  167    HB2  ARG  26           HB2      ARG  26 -10.521  -0.894   2.906
  168    HB3  ARG  26           HB1      ARG  26 -10.698   0.282   1.616
  169    HG2  ARG  26           HG2      ARG  26 -11.203  -1.530   0.046
  170    HG3  ARG  26           HG1      ARG  26 -11.063  -2.694   1.365
  171    HD2  ARG  26           HD2      ARG  26 -13.393  -2.149   0.948
  172    HD3  ARG  26           HD1      ARG  26 -12.897  -1.577   2.539
  173    HE   ARG  26           HE       ARG  26 -12.509   0.567   0.892
  174   HH11  ARG  26          HH11      ARG  26 -15.231  -1.481   1.677
  175   HH12  ARG  26          HH12      ARG  26 -16.410  -0.237   1.405
  176   HH21  ARG  26          HH21      ARG  26 -14.036   2.211   0.542
  177   HH22  ARG  26          HH22      ARG  26 -15.725   1.876   0.757
  178    H    TRP  27           H        TRP  27  -8.438   1.565   1.154
  179    HA   TRP  27           HA       TRP  27  -7.128   1.912   3.733
  180    HB2  TRP  27           HB2      TRP  27  -5.243   3.162   2.596
  181    HB3  TRP  27           HB1      TRP  27  -5.234   1.418   2.375
  182    HD1  TRP  27           HD1      TRP  27  -5.608   4.677   0.453
  183    HE1  TRP  27           HE1      TRP  27  -5.554   4.171  -2.068
  184    HE3  TRP  27           HE3      TRP  27  -5.815  -0.432   0.635
  185    HZ2  TRP  27           HZ2      TRP  27  -5.589   1.913  -3.757
  186    HZ3  TRP  27           HZ3      TRP  27  -5.800  -1.687  -1.481
  187    HH2  TRP  27           HH2      TRP  27  -5.690  -0.539  -3.632
  188    H    SER  28           H        SER  28  -6.669   4.267   4.147
  189    HA   SER  28           HA       SER  28  -9.042   5.752   3.325
  190    HB2  SER  28           HB2      SER  28  -7.050   6.283   5.537
  191    HB3  SER  28           HB1      SER  28  -8.531   7.199   5.251
  192    HG   SER  28           HG       SER  28  -8.348   4.433   5.886
  193    H    ARG  29           H        ARG  29  -8.972   7.864   2.553
  194    HA   ARG  29           HA       ARG  29  -6.717   8.558   0.935
  195    HB2  ARG  29           HB2      ARG  29  -9.302   9.972   1.592
  196    HB3  ARG  29           HB1      ARG  29  -8.073  10.689   0.563
  197    HG2  ARG  29           HG2      ARG  29  -9.303   8.013  -0.017
  198    HG3  ARG  29           HG1      ARG  29  -9.991   9.531  -0.599
  199    HD2  ARG  29           HD2      ARG  29  -7.163   8.626  -1.133
  200    HD3  ARG  29           HD1      ARG  29  -8.509   8.384  -2.246
  201    HE   ARG  29           HE       ARG  29  -8.165  11.120  -1.446
  202   HH11  ARG  29          HH11      ARG  29  -7.014   8.675  -3.679
  203   HH12  ARG  29          HH12      ARG  29  -6.657   9.819  -4.933
  204   HH21  ARG  29          HH21      ARG  29  -7.661  12.612  -3.071
  205   HH22  ARG  29          HH22      ARG  29  -7.009  12.058  -4.579
  206    HA   PRO  30           HA       PRO  30  -4.613  10.989   4.030
  207    HB2  PRO  30           HB2      PRO  30  -3.213  12.336   1.854
  208    HB3  PRO  30           HB1      PRO  30  -2.572  11.235   3.073
  209    HG2  PRO  30           HG2      PRO  30  -2.784  10.566   0.455
  210    HG3  PRO  30           HG1      PRO  30  -2.910   9.380   1.767
  211    HD2  PRO  30           HD2      PRO  30  -5.081  10.662   0.157
  212    HD3  PRO  30           HD1      PRO  30  -4.931   8.990   0.718
  213    H1   MET  31           HT1      MET  31  -1.546  31.655  -8.123
  214    H2   MET  31           HT2      MET  31  -1.007  30.063  -8.304
  215    H3   MET  31           HT3      MET  31  -0.127  31.151  -7.358
  216    HA   MET  31           HA       MET  31  -1.407  29.594  -6.004
  217    HB2  MET  31           HB2      MET  31  -2.340  32.473  -5.889
  218    HB3  MET  31           HB1      MET  31  -2.533  31.299  -4.596
  219    HG2  MET  31           HG2      MET  31  -0.111  31.114  -4.396
  220    HG3  MET  31           HG1      MET  31   0.089  32.282  -5.699
  221    HE1  MET  31           HE1      MET  31  -1.047  31.691  -2.001
  222    HE2  MET  31           HE2      MET  31  -2.539  32.282  -2.732
  223    HE3  MET  31           HE3      MET  31  -1.684  33.272  -1.549
  224    H    ARG  32           H        ARG  32  -3.251  28.461  -5.715
  225    HA   ARG  32           HA       ARG  32  -5.250  27.522  -6.241
  226    HB2  ARG  32           HB2      ARG  32  -6.048  30.434  -6.359
  227    HB3  ARG  32           HB1      ARG  32  -7.189  29.097  -6.354
  228    HG2  ARG  32           HG2      ARG  32  -5.222  29.717  -4.160
  229    HG3  ARG  32           HG1      ARG  32  -6.941  30.113  -4.142
  230    HD2  ARG  32           HD2      ARG  32  -7.501  27.745  -4.263
  231    HD3  ARG  32           HD1      ARG  32  -5.790  27.330  -4.338
  232    HE   ARG  32           HE       ARG  32  -6.372  28.863  -2.017
  233   HH11  ARG  32          HH11      ARG  32  -6.712  25.649  -3.352
  234   HH12  ARG  32          HH12      ARG  32  -6.680  24.860  -1.811
  235   HH21  ARG  32          HH21      ARG  32  -6.347  27.830   0.024
  236   HH22  ARG  32          HH22      ARG  32  -6.480  26.103   0.113
  237    H    GLY  33           H        GLY  33  -3.553  27.585  -8.363
  238    HA2  GLY  33           HA2      GLY  33  -5.408  27.657 -10.605
  239    HA3  GLY  33           HA1      GLY  33  -4.005  28.712 -10.723
  240    H    SER  34           H        SER  34  -4.607  25.381  -9.654
  241    HA   SER  34           HA       SER  34  -2.496  24.469 -11.470
  242    HB2  SER  34           HB2      SER  34  -1.498  24.826  -9.219
  243    HB3  SER  34           HB1      SER  34  -2.677  23.706  -8.542
  244    HG   SER  34           HG       SER  34  -1.766  22.171 -10.158
  245    H    ASN  35           H        ASN  35  -5.239  24.284 -11.853
  246    HA   ASN  35           HA       ASN  35  -6.932  22.848 -12.339
  247    HB2  ASN  35           HB2      ASN  35  -4.668  20.837 -12.293
  248    HB3  ASN  35           HB1      ASN  35  -6.286  20.499 -12.897
  249   HD21  ASN  35          HD21      ASN  35  -6.946  21.397 -14.833
  250   HD22  ASN  35          HD22      ASN  35  -5.830  22.097 -15.953
  251    H    ALA  36           H        ALA  36  -7.380  23.486  -9.977
  252    HA   ALA  36           HA       ALA  36  -8.107  22.992  -7.889
  253    HB1  ALA  36           HB1      ALA  36  -9.584  21.418  -9.029
  254    HB2  ALA  36           HB2      ALA  36  -9.060  20.774  -7.473
  255    HB3  ALA  36           HB3      ALA  36  -8.329  20.180  -8.964
  256    HA   PRO  37           HA       PRO  37  -3.813  21.841  -6.742
  257    HB2  PRO  37           HB2      PRO  37  -3.659  23.622  -4.680
  258    HB3  PRO  37           HB1      PRO  37  -3.309  24.037  -6.361
  259    HG2  PRO  37           HG2      PRO  37  -5.803  24.494  -4.777
  260    HG3  PRO  37           HG1      PRO  37  -4.986  25.577  -5.917
  261    HD2  PRO  37           HD2      PRO  37  -7.176  24.161  -6.597
  262    HD3  PRO  37           HD1      PRO  37  -5.886  24.524  -7.760
  263    H    GLN  38           H        GLN  38  -4.764  19.795  -6.060
  264    HA   GLN  38           HA       GLN  38  -5.303  19.676  -3.178
  265    HB2  GLN  38           HB2      GLN  38  -5.799  17.660  -5.375
  266    HB3  GLN  38           HB1      GLN  38  -6.038  17.324  -3.665
  267    HG2  GLN  38           HG2      GLN  38  -7.700  19.141  -3.575
  268    HG3  GLN  38           HG1      GLN  38  -7.502  19.371  -5.313
  269   HE21  GLN  38          HE21      GLN  38  -8.271  17.805  -6.723
  270   HE22  GLN  38          HE22      GLN  38  -9.415  16.607  -6.231
  271    HA   PRO  39           HA       PRO  39  -1.011  18.305  -2.792
  272    HB2  PRO  39           HB2      PRO  39  -2.047  17.795  -0.054
  273    HB3  PRO  39           HB1      PRO  39  -0.601  18.669  -0.562
  274    HG2  PRO  39           HG2      PRO  39  -2.752  19.970   0.337
  275    HG3  PRO  39           HG1      PRO  39  -1.762  20.622  -0.981
  276    HD2  PRO  39           HD2      PRO  39  -4.428  19.292  -1.090
  277    HD3  PRO  39           HD1      PRO  39  -3.787  20.624  -2.072
  278    H    SER  40           H        SER  40  -3.902  16.740  -1.537
  279    HA   SER  40           HA       SER  40  -2.697  14.104  -1.621
  280    HB2  SER  40           HB2      SER  40  -4.331  14.899   0.162
  281    HB3  SER  40           HB1      SER  40  -5.582  14.836  -1.074
  282    HG   SER  40           HG       SER  40  -4.701  12.880   0.450
  283    H    HIS  41           H        HIS  41  -2.373  14.804  -4.054
  284    HA   HIS  41           HA       HIS  41  -4.703  13.861  -5.594
  285    HB2  HIS  41           HB2      HIS  41  -3.754  16.192  -6.072
  286    HB3  HIS  41           HB1      HIS  41  -2.346  15.367  -6.732
  287    HD1  HIS  41           HD1      HIS  41  -2.538  15.608  -9.210
  288    HD2  HIS  41           HD2      HIS  41  -6.177  14.641  -7.450
  289    HE1  HIS  41           HE1      HIS  41  -4.154  15.311 -11.109
  290    HE2  HIS  41           HE2      HIS  41  -6.324  14.638 -10.028
  291    H    ILE  42           H        ILE  42  -4.283  11.702  -5.293
  292    HA   ILE  42           HA       ILE  42  -1.714  10.596  -6.072
  293    HB   ILE  42           HB       ILE  42  -4.239   9.246  -5.082
  294   HG12  ILE  42          HG12      ILE  42  -2.667   8.694  -3.119
  295   HG13  ILE  42          HG11      ILE  42  -1.625   9.957  -3.758
  296   HG21  ILE  42          HG21      ILE  42  -2.903   7.207  -4.903
  297   HG22  ILE  42          HG22      ILE  42  -1.537   8.037  -5.648
  298   HG23  ILE  42          HG23      ILE  42  -3.015   7.766  -6.572
  299   HD11  ILE  42          HD11      ILE  42  -3.430  11.579  -3.471
  300   HD12  ILE  42          HD12      ILE  42  -3.004  10.790  -1.953
  301   HD13  ILE  42          HD13      ILE  42  -4.462  10.306  -2.819
  302    H    SER  43           H        SER  43  -1.287   9.668  -7.980
  303    HA   SER  43           HA       SER  43  -3.342   9.760 -10.035
  304    HB2  SER  43           HB2      SER  43  -1.079  10.636 -10.512
  305    HB3  SER  43           HB1      SER  43  -0.408   9.031 -10.234
  306    HG   SER  43           HG       SER  43  -2.478   9.172 -12.079
  307    H    LYS  44           H        LYS  44  -1.397   7.406  -8.287
  308    HA   LYS  44           HA       LYS  44  -3.259   5.315  -8.895
  309    HB2  LYS  44           HB2      LYS  44  -1.678   3.821 -10.014
  310    HB3  LYS  44           HB1      LYS  44  -1.921   5.288 -10.951
  311    HG2  LYS  44           HG2      LYS  44   0.199   6.175 -10.024
  312    HG3  LYS  44           HG1      LYS  44   0.452   4.623  -9.219
  313    HD2  LYS  44           HD2      LYS  44   0.395   3.506 -11.410
  314    HD3  LYS  44           HD1      LYS  44   0.210   5.078 -12.192
  315    HE2  LYS  44           HE2      LYS  44   2.362   5.789 -11.296
  316    HE3  LYS  44           HE1      LYS  44   2.544   4.242 -10.473
  317    HZ1  LYS  44           HZ1      LYS  44   3.798   4.226 -12.497
  318    HZ2  LYS  44           HZ2      LYS  44   2.446   4.679 -13.405
  319    HZ3  LYS  44           HZ3      LYS  44   2.495   3.161 -12.663
  320    H    TYR  45           H        TYR  45  -2.983   3.491  -7.605
  321    HA   TYR  45           HA       TYR  45  -0.950   3.721  -5.480
  322    HB2  TYR  45           HB2      TYR  45  -3.500   2.094  -5.447
  323    HB3  TYR  45           HB1      TYR  45  -2.387   2.323  -4.110
  324    HD1  TYR  45           HD1      TYR  45  -2.134   4.719  -3.192
  325    HD2  TYR  45           HD2      TYR  45  -5.330   3.491  -5.717
  326    HE1  TYR  45           HE1      TYR  45  -3.493   6.603  -2.382
  327    HE2  TYR  45           HE2      TYR  45  -6.690   5.376  -4.926
  328    HH   TYR  45           HH       TYR  45  -6.792   6.791  -2.829
  329    H    ILE  46           H        ILE  46   0.483   2.062  -5.225
  330    HA   ILE  46           HA       ILE  46   0.130  -0.251  -7.012
  331    HB   ILE  46           HB       ILE  46   2.669   0.972  -5.927
  332   HG12  ILE  46          HG12      ILE  46   3.237   0.924  -8.425
  333   HG13  ILE  46          HG11      ILE  46   1.535   0.577  -8.696
  334   HG21  ILE  46          HG21      ILE  46   2.910  -1.415  -5.719
  335   HG22  ILE  46          HG22      ILE  46   3.877  -0.847  -7.080
  336   HG23  ILE  46          HG23      ILE  46   2.333  -1.650  -7.370
  337   HD11  ILE  46          HD11      ILE  46   1.967   2.920  -9.015
  338   HD12  ILE  46          HD12      ILE  46   2.675   3.042  -7.404
  339   HD13  ILE  46          HD13      ILE  46   0.956   2.694  -7.588
  340    H    LEU  47           H        LEU  47  -0.610  -1.953  -6.011
  341    HA   LEU  47           HA       LEU  47  -0.064  -2.353  -3.156
  342    HB2  LEU  47           HB2      LEU  47  -2.412  -2.492  -4.342
  343    HB3  LEU  47           HB1      LEU  47  -1.867  -4.073  -4.849
  344    HG   LEU  47           HG       LEU  47  -3.287  -4.331  -2.939
  345   HD11  LEU  47          HD11      LEU  47  -1.485  -5.886  -2.959
  346   HD12  LEU  47          HD12      LEU  47  -1.787  -5.394  -1.294
  347   HD13  LEU  47          HD13      LEU  47  -0.409  -4.731  -2.174
  348   HD21  LEU  47          HD21      LEU  47  -3.127  -2.099  -2.018
  349   HD22  LEU  47          HD22      LEU  47  -1.469  -2.408  -1.499
  350   HD23  LEU  47          HD23      LEU  47  -2.805  -3.307  -0.774
  351    H    ARG  48           H        ARG  48   1.531  -3.709  -2.602
  352    HA   ARG  48           HA       ARG  48   2.221  -5.873  -4.476
  353    HB2  ARG  48           HB2      ARG  48   4.223  -4.305  -2.837
  354    HB3  ARG  48           HB1      ARG  48   4.576  -5.561  -4.019
  355    HG2  ARG  48           HG2      ARG  48   3.428  -4.056  -5.717
  356    HG3  ARG  48           HG1      ARG  48   3.533  -2.794  -4.493
  357    HD2  ARG  48           HD2      ARG  48   5.897  -4.342  -5.525
  358    HD3  ARG  48           HD1      ARG  48   5.371  -2.793  -6.177
  359    HE   ARG  48           HE       ARG  48   5.771  -2.591  -3.392
  360   HH11  ARG  48          HH11      ARG  48   7.468  -2.829  -6.443
  361   HH12  ARG  48          HH12      ARG  48   8.897  -2.027  -5.857
  362   HH21  ARG  48          HH21      ARG  48   7.639  -1.521  -2.611
  363   HH22  ARG  48          HH22      ARG  48   8.985  -1.258  -3.680
  364    H    TRP  49           H        TRP  49   2.430  -7.853  -3.599
  365    HA   TRP  49           HA       TRP  49   2.533  -8.043  -0.678
  366    HB2  TRP  49           HB2      TRP  49   0.858  -9.855  -0.718
  367    HB3  TRP  49           HB1      TRP  49   0.202  -8.322  -1.270
  368    HD1  TRP  49           HD1      TRP  49   0.674 -11.893  -2.321
  369    HE1  TRP  49           HE1      TRP  49  -0.350 -12.247  -4.657
  370    HE3  TRP  49           HE3      TRP  49  -0.100  -7.012  -3.617
  371    HZ2  TRP  49           HZ2      TRP  49  -1.343 -10.660  -6.773
  372    HZ3  TRP  49           HZ3      TRP  49  -1.091  -6.513  -5.811
  373    HH2  TRP  49           HH2      TRP  49  -1.698  -8.299  -7.354
  374    H    ARG  50           H        ARG  50   3.472  -9.857   0.183
  375    HA   ARG  50           HA       ARG  50   4.719 -11.806  -1.607
  376    HB2  ARG  50           HB2      ARG  50   6.341  -9.945  -1.331
  377    HB3  ARG  50           HB1      ARG  50   6.268 -10.163   0.412
  378    HG2  ARG  50           HG2      ARG  50   7.135 -12.464   0.109
  379    HG3  ARG  50           HG1      ARG  50   7.319 -12.125  -1.614
  380    HD2  ARG  50           HD2      ARG  50   9.438 -11.780  -0.584
  381    HD3  ARG  50           HD1      ARG  50   8.781 -10.197  -0.995
  382    HE   ARG  50           HE       ARG  50   8.050 -10.782   1.637
  383   HH11  ARG  50          HH11      ARG  50  10.954 -10.162  -0.212
  384   HH12  ARG  50          HH12      ARG  50  11.821  -9.494   1.135
  385   HH21  ARG  50          HH21      ARG  50   9.193  -9.903   3.416
  386   HH22  ARG  50          HH22      ARG  50  10.817  -9.331   3.190
  387    HA   PRO  51           HA       PRO  51   3.408 -14.478   1.755
  388    HB2  PRO  51           HB2      PRO  51   5.552 -16.263   0.770
  389    HB3  PRO  51           HB1      PRO  51   3.828 -16.584   0.965
  390    HG2  PRO  51           HG2      PRO  51   4.923 -16.261  -1.457
  391    HG3  PRO  51           HG1      PRO  51   3.290 -15.677  -1.088
  392    HD2  PRO  51           HD2      PRO  51   5.844 -14.145  -1.326
  393    HD3  PRO  51           HD1      PRO  51   4.202 -13.691  -1.822
  394    H    LYS  52           H        LYS  52   4.047 -14.598   3.815
  395    HA   LYS  52           HA       LYS  52   6.411 -13.382   4.731
  396    HB2  LYS  52           HB2      LYS  52   4.480 -15.244   6.099
  397    HB3  LYS  52           HB1      LYS  52   5.774 -14.405   6.935
  398    HG2  LYS  52           HG2      LYS  52   3.896 -12.782   5.332
  399    HG3  LYS  52           HG1      LYS  52   3.296 -13.489   6.828
  400    HD2  LYS  52           HD2      LYS  52   5.343 -12.472   7.946
  401    HD3  LYS  52           HD1      LYS  52   5.555 -11.544   6.457
  402    HE2  LYS  52           HE2      LYS  52   3.313 -10.625   6.698
  403    HE3  LYS  52           HE1      LYS  52   3.067 -11.576   8.160
  404    HZ1  LYS  52           HZ1      LYS  52   3.630  -9.466   8.900
  405    HZ2  LYS  52           HZ2      LYS  52   4.853  -9.263   7.743
  406    HZ3  LYS  52           HZ3      LYS  52   5.084 -10.330   9.041
  407    H    ASN  53           H        ASN  53   5.641 -16.711   3.995
  408    HA   ASN  53           HA       ASN  53   8.101 -17.660   5.229
  409    HB2  ASN  53           HB2      ASN  53   7.275 -19.869   4.925
  410    HB3  ASN  53           HB1      ASN  53   5.910 -18.900   5.463
  411   HD21  ASN  53          HD21      ASN  53   4.230 -18.469   4.026
  412   HD22  ASN  53          HD22      ASN  53   4.046 -19.340   2.540
  413    H    SER  54           H        SER  54   7.092 -16.576   2.185
  414    HA   SER  54           HA       SER  54   9.407 -17.888   0.938
  415    HB2  SER  54           HB2      SER  54   6.754 -17.390  -0.426
  416    HB3  SER  54           HB1      SER  54   8.184 -18.126  -1.147
  417    HG   SER  54           HG       SER  54   7.474 -19.392   1.143
  418    H    VAL  55           H        VAL  55  10.828 -16.428   0.327
  419    HA   VAL  55           HA       VAL  55  10.199 -13.663   0.272
  420    HB   VAL  55           HB       VAL  55  12.395 -14.440   1.005
  421   HG11  VAL  55          HG11      VAL  55  12.813 -15.286  -1.856
  422   HG12  VAL  55          HG12      VAL  55  12.711 -16.344  -0.450
  423   HG13  VAL  55          HG13      VAL  55  14.065 -15.228  -0.617
  424   HG21  VAL  55          HG21      VAL  55  12.158 -12.182   0.148
  425   HG22  VAL  55          HG22      VAL  55  12.536 -12.752  -1.477
  426   HG23  VAL  55          HG23      VAL  55  13.755 -12.833  -0.208
  427    H    GLY  56           H        GLY  56  10.915 -16.089  -2.201
  428    HA2  GLY  56           HA2      GLY  56  10.710 -16.019  -4.506
  429    HA3  GLY  56           HA1      GLY  56   9.083 -15.557  -4.046
  430    H    ARG  57           H        ARG  57   8.328 -13.732  -4.795
  431    HA   ARG  57           HA       ARG  57  10.018 -11.449  -5.259
  432    HB2  ARG  57           HB2      ARG  57   9.419 -11.169  -7.615
  433    HB3  ARG  57           HB1      ARG  57  10.307 -12.662  -7.372
  434    HG2  ARG  57           HG2      ARG  57   7.310 -12.580  -7.535
  435    HG3  ARG  57           HG1      ARG  57   8.337 -12.736  -8.959
  436    HD2  ARG  57           HD2      ARG  57   8.259 -14.621  -6.605
  437    HD3  ARG  57           HD1      ARG  57   7.552 -14.914  -8.193
  438    HE   ARG  57           HE       ARG  57  10.173 -14.422  -8.732
  439   HH11  ARG  57          HH11      ARG  57   8.492 -16.652  -6.621
  440   HH12  ARG  57          HH12      ARG  57   9.712 -17.880  -6.737
  441   HH21  ARG  57          HH21      ARG  57  11.781 -16.030  -8.882
  442   HH22  ARG  57          HH22      ARG  57  11.587 -17.528  -8.028
  443    H    TRP  58           H        TRP  58   8.771  -9.515  -5.655
  444    HA   TRP  58           HA       TRP  58   6.228  -9.625  -4.291
  445    HB2  TRP  58           HB2      TRP  58   7.878  -7.341  -5.378
  446    HB3  TRP  58           HB1      TRP  58   6.299  -7.110  -4.636
  447    HD1  TRP  58           HD1      TRP  58   9.899  -8.109  -3.752
  448    HE1  TRP  58           HE1      TRP  58  10.215  -7.844  -1.211
  449    HE3  TRP  58           HE3      TRP  58   5.066  -7.090  -2.434
  450    HZ2  TRP  58           HZ2      TRP  58   8.622  -7.282   1.050
  451    HZ3  TRP  58           HZ3      TRP  58   4.547  -6.701  -0.062
  452    HH2  TRP  58           HH2      TRP  58   6.291  -6.796   1.644
  453    H    LYS  59           H        LYS  59   4.267  -9.547  -5.190
  454    HA   LYS  59           HA       LYS  59   4.040  -9.224  -8.083
  455    HB2  LYS  59           HB2      LYS  59   1.939  -9.940  -6.024
  456    HB3  LYS  59           HB1      LYS  59   1.702  -9.927  -7.766
  457    HG2  LYS  59           HG2      LYS  59   3.347 -11.715  -8.009
  458    HG3  LYS  59           HG1      LYS  59   3.586 -11.730  -6.262
  459    HD2  LYS  59           HD2      LYS  59   1.211 -12.305  -5.963
  460    HD3  LYS  59           HD1      LYS  59   1.012 -12.333  -7.715
  461    HE2  LYS  59           HE2      LYS  59   1.280 -14.587  -6.953
  462    HE3  LYS  59           HE1      LYS  59   2.740 -14.118  -7.819
  463    HZ1  LYS  59           HZ1      LYS  59   3.783 -13.663  -5.655
  464    HZ2  LYS  59           HZ2      LYS  59   3.326 -15.278  -5.823
  465    HZ3  LYS  59           HZ3      LYS  59   2.396 -14.236  -4.873
  466    H    GLU  60           H        GLU  60   3.192  -7.417  -9.020
  467    HA   GLU  60           HA       GLU  60   2.484  -5.252  -7.151
  468    HB2  GLU  60           HB2      GLU  60   3.746  -4.915  -9.872
  469    HB3  GLU  60           HB1      GLU  60   3.551  -3.693  -8.623
  470    HG2  GLU  60           HG2      GLU  60   5.092  -4.984  -7.184
  471    HG3  GLU  60           HG1      GLU  60   5.352  -6.100  -8.520
  472    H    ALA  61           H        ALA  61   0.493  -4.487  -7.324
  473    HA   ALA  61           HA       ALA  61  -0.870  -4.687  -9.937
  474    HB1  ALA  61           HB1      ALA  61  -2.128  -4.779  -7.194
  475    HB2  ALA  61           HB2      ALA  61  -1.888  -6.159  -8.265
  476    HB3  ALA  61           HB3      ALA  61  -2.986  -4.861  -8.734
  477    H    THR  62           H        THR  62  -1.817  -2.860 -10.735
  478    HA   THR  62           HA       THR  62  -1.296  -0.400  -9.221
  479    HB   THR  62           HB       THR  62  -1.858  -0.702 -12.176
  480    HG1  THR  62           HG1      THR  62   0.397  -1.122 -10.715
  481   HG21  THR  62          HG21      THR  62  -0.847   1.642 -10.559
  482   HG22  THR  62          HG22      THR  62  -2.440   1.504 -11.303
  483   HG23  THR  62          HG23      THR  62  -0.998   1.597 -12.315
  484    H    ILE  63           H        ILE  63  -2.930   0.594  -8.313
  485    HA   ILE  63           HA       ILE  63  -5.664   0.136  -9.331
  486    HB   ILE  63           HB       ILE  63  -4.771   0.943  -6.547
  487   HG12  ILE  63          HG12      ILE  63  -6.011  -1.294  -6.025
  488   HG13  ILE  63          HG11      ILE  63  -5.713  -1.658  -7.719
  489   HG21  ILE  63          HG21      ILE  63  -6.905   1.975  -7.186
  490   HG22  ILE  63          HG22      ILE  63  -7.101   0.787  -5.898
  491   HG23  ILE  63          HG23      ILE  63  -7.555   0.376  -7.551
  492   HD11  ILE  63          HD11      ILE  63  -3.310  -1.391  -7.339
  493   HD12  ILE  63          HD12      ILE  63  -4.011  -2.640  -6.309
  494   HD13  ILE  63          HD13      ILE  63  -3.625  -1.055  -5.637
  495    HA   PRO  64           HA       PRO  64  -5.704   4.424 -10.697
  496    HB2  PRO  64           HB2      PRO  64  -8.567   4.078  -9.913
  497    HB3  PRO  64           HB1      PRO  64  -7.883   4.768 -11.389
  498    HG2  PRO  64           HG2      PRO  64  -8.903   2.307 -11.382
  499    HG3  PRO  64           HG1      PRO  64  -7.448   2.693 -12.317
  500    HD2  PRO  64           HD2      PRO  64  -7.719   1.172  -9.777
  501    HD3  PRO  64           HD1      PRO  64  -6.531   0.991 -11.083
  502    H    GLY  65           H        GLY  65  -5.479   6.326  -9.620
  503    HA2  GLY  65           HA2      GLY  65  -5.316   6.173  -6.767
  504    HA3  GLY  65           HA1      GLY  65  -4.918   7.563  -7.761
  505    H    HIS  66           H        HIS  66  -7.950   5.785  -7.232
  506    HA   HIS  66           HA       HIS  66  -9.125   7.818  -5.638
  507    HB2  HIS  66           HB2      HIS  66 -10.914   8.461  -7.315
  508    HB3  HIS  66           HB1      HIS  66  -9.316   9.125  -7.623
  509    HD1  HIS  66           HD1      HIS  66  -8.394   8.767  -9.902
  510    HD2  HIS  66           HD2      HIS  66 -11.508   6.152  -9.040
  511    HE1  HIS  66           HE1      HIS  66  -8.833   7.512 -12.034
  512    HE2  HIS  66           HE2      HIS  66 -10.826   6.058 -11.532
  513    H    LEU  67           H        LEU  67  -8.779   4.925  -5.704
  514    HA   LEU  67           HA       LEU  67 -11.616   4.124  -5.636
  515    HB2  LEU  67           HB2      LEU  67  -9.193   2.402  -6.168
  516    HB3  LEU  67           HB1      LEU  67 -10.816   1.784  -5.939
  517    HG   LEU  67           HG       LEU  67  -9.827   3.491  -8.219
  518   HD11  LEU  67          HD11      LEU  67 -10.425   1.565  -9.572
  519   HD12  LEU  67          HD12      LEU  67 -10.935   0.694  -8.126
  520   HD13  LEU  67          HD13      LEU  67  -9.242   1.130  -8.343
  521   HD21  LEU  67          HD21      LEU  67 -12.627   2.565  -7.586
  522   HD22  LEU  67          HD22      LEU  67 -12.115   3.265  -9.120
  523   HD23  LEU  67          HD23      LEU  67 -12.054   4.232  -7.650
  524    H    ASN  68           H        ASN  68  -8.453   3.411  -4.198
  525    HA   ASN  68           HA       ASN  68  -7.789   2.938  -2.091
  526    HB2  ASN  68           HB2      ASN  68 -10.374   4.346  -1.475
  527    HB3  ASN  68           HB1      ASN  68  -9.366   3.672  -0.199
  528   HD21  ASN  68          HD21      ASN  68  -8.776   5.535   0.726
  529   HD22  ASN  68          HD22      ASN  68  -7.778   6.723  -0.038
  530    H    SER  69           H        SER  69  -9.365   1.018  -3.660
  531    HA   SER  69           HA       SER  69  -9.690  -0.924  -1.562
  532    HB2  SER  69           HB2      SER  69 -12.003  -1.563  -2.432
  533    HB3  SER  69           HB1      SER  69 -11.920  -0.080  -1.483
  534    HG   SER  69           HG       SER  69 -12.550   1.009  -3.164
  535    H    TYR  70           H        TYR  70  -9.067  -2.888  -2.270
  536    HA   TYR  70           HA       TYR  70  -9.267  -3.542  -5.101
  537    HB2  TYR  70           HB2      TYR  70  -7.076  -2.475  -4.919
  538    HB3  TYR  70           HB1      TYR  70  -6.639  -3.552  -3.599
  539    HD1  TYR  70           HD1      TYR  70  -5.176  -5.228  -4.166
  540    HD2  TYR  70           HD2      TYR  70  -7.971  -3.908  -7.090
  541    HE1  TYR  70           HE1      TYR  70  -4.246  -6.839  -5.774
  542    HE2  TYR  70           HE2      TYR  70  -7.049  -5.519  -8.705
  543    HH   TYR  70           HH       TYR  70  -4.975  -6.754  -9.099
  544    H    THR  71           H        THR  71  -9.540  -5.700  -5.464
  545    HA   THR  71           HA       THR  71  -9.539  -7.432  -3.092
  546    HB   THR  71           HB       THR  71 -10.837  -7.963  -5.770
  547    HG1  THR  71           HG1      THR  71 -11.535  -6.151  -4.032
  548   HG21  THR  71          HG21      THR  71 -11.249  -9.223  -3.053
  549   HG22  THR  71          HG22      THR  71 -10.413  -9.965  -4.417
  550   HG23  THR  71          HG23      THR  71 -12.140  -9.622  -4.521
  551    H    ILE  72           H        ILE  72  -7.499  -8.208  -2.938
  552    HA   ILE  72           HA       ILE  72  -5.884  -8.938  -5.178
  553    HB   ILE  72           HB       ILE  72  -5.522  -9.823  -2.308
  554   HG12  ILE  72          HG12      ILE  72  -4.420  -7.346  -3.659
  555   HG13  ILE  72          HG11      ILE  72  -5.722  -7.352  -2.475
  556   HG21  ILE  72          HG21      ILE  72  -3.567  -9.537  -4.587
  557   HG22  ILE  72          HG22      ILE  72  -4.170 -11.049  -3.913
  558   HG23  ILE  72          HG23      ILE  72  -3.153  -9.992  -2.934
  559   HD11  ILE  72          HD11      ILE  72  -3.727  -6.716  -1.358
  560   HD12  ILE  72          HD12      ILE  72  -2.841  -8.085  -2.040
  561   HD13  ILE  72          HD13      ILE  72  -4.112  -8.364  -0.850
  562    H    LYS  73           H        LYS  73  -5.790 -10.845  -6.243
  563    HA   LYS  73           HA       LYS  73  -7.269 -13.116  -5.083
  564    HB2  LYS  73           HB2      LYS  73  -7.107 -12.384  -8.013
  565    HB3  LYS  73           HB1      LYS  73  -8.013 -13.722  -7.319
  566    HG2  LYS  73           HG2      LYS  73  -9.459 -12.158  -6.146
  567    HG3  LYS  73           HG1      LYS  73  -8.538 -10.803  -6.800
  568    HD2  LYS  73           HD2      LYS  73  -9.139 -11.613  -9.091
  569    HD3  LYS  73           HD1      LYS  73 -10.206 -12.795  -8.329
  570    HE2  LYS  73           HE2      LYS  73 -11.498 -10.877  -8.994
  571    HE3  LYS  73           HE1      LYS  73 -11.416 -10.936  -7.236
  572    HZ1  LYS  73           HZ1      LYS  73  -9.739  -9.212  -8.980
  573    HZ2  LYS  73           HZ2      LYS  73  -9.683  -9.252  -7.292
  574    HZ3  LYS  73           HZ3      LYS  73 -11.074  -8.693  -8.080
  575    H    GLY  74           H        GLY  74  -6.105 -14.886  -4.814
  576    HA2  GLY  74           HA2      GLY  74  -4.637 -16.511  -6.043
  577    HA3  GLY  74           HA1      GLY  74  -3.587 -15.134  -6.346
  578    H    LEU  75           H        LEU  75  -4.928 -14.782  -3.345
  579    HA   LEU  75           HA       LEU  75  -2.447 -15.315  -2.021
  580    HB2  LEU  75           HB2      LEU  75  -5.162 -14.612  -0.901
  581    HB3  LEU  75           HB1      LEU  75  -3.661 -14.615   0.005
  582    HG   LEU  75           HG       LEU  75  -4.247 -12.797  -2.338
  583   HD11  LEU  75          HD11      LEU  75  -4.294 -12.274   0.627
  584   HD12  LEU  75          HD12      LEU  75  -5.673 -12.251  -0.473
  585   HD13  LEU  75          HD13      LEU  75  -4.401 -11.039  -0.628
  586   HD21  LEU  75          HD21      LEU  75  -1.967 -12.866  -0.365
  587   HD22  LEU  75          HD22      LEU  75  -2.245 -11.603  -1.564
  588   HD23  LEU  75          HD23      LEU  75  -1.879 -13.246  -2.085
  589    H    LYS  76           H        LYS  76  -1.820 -17.178  -1.139
  590    HA   LYS  76           HA       LYS  76  -3.494 -19.484  -1.376
  591    HB2  LYS  76           HB2      LYS  76  -0.776 -19.147  -0.102
  592    HB3  LYS  76           HB1      LYS  76  -1.562 -20.691  -0.403
  593    HG2  LYS  76           HG2      LYS  76  -1.550 -20.196  -2.815
  594    HG3  LYS  76           HG1      LYS  76  -0.683 -18.696  -2.480
  595    HD2  LYS  76           HD2      LYS  76   1.174 -19.944  -1.547
  596    HD3  LYS  76           HD1      LYS  76   0.296 -21.459  -1.765
  597    HE2  LYS  76           HE2      LYS  76   1.192 -19.596  -3.959
  598    HE3  LYS  76           HE1      LYS  76   1.955 -21.124  -3.527
  599    HZ1  LYS  76           HZ1      LYS  76  -0.159 -22.238  -4.085
  600    HZ2  LYS  76           HZ2      LYS  76   0.540 -21.458  -5.410
  601    HZ3  LYS  76           HZ3      LYS  76  -0.782 -20.760  -4.623
  602    HA   PRO  77           HA       PRO  77  -5.410 -19.239   2.622
  603    HB2  PRO  77           HB2      PRO  77  -6.343 -21.802   2.703
  604    HB3  PRO  77           HB1      PRO  77  -7.121 -20.510   1.784
  605    HG2  PRO  77           HG2      PRO  77  -5.269 -22.659   0.838
  606    HG3  PRO  77           HG1      PRO  77  -6.741 -22.030   0.073
  607    HD2  PRO  77           HD2      PRO  77  -4.270 -21.292  -0.726
  608    HD3  PRO  77           HD1      PRO  77  -5.656 -20.185  -0.789
  609    H    GLY  78           H        GLY  78  -4.292 -19.257   4.440
  610    HA2  GLY  78           HA2      GLY  78  -3.371 -20.517   6.279
  611    HA3  GLY  78           HA1      GLY  78  -2.716 -21.657   5.111
  612    H    VAL  79           H        VAL  79  -2.019 -19.122   3.477
  613    HA   VAL  79           HA       VAL  79   0.637 -18.854   4.654
  614    HB   VAL  79           HB       VAL  79  -0.419 -17.918   1.974
  615   HG11  VAL  79          HG11      VAL  79   1.931 -17.564   1.389
  616   HG12  VAL  79          HG12      VAL  79   2.399 -17.963   3.042
  617   HG13  VAL  79          HG13      VAL  79   1.430 -16.522   2.723
  618   HG21  VAL  79          HG21      VAL  79  -0.322 -20.338   2.119
  619   HG22  VAL  79          HG22      VAL  79   1.343 -20.249   2.699
  620   HG23  VAL  79          HG23      VAL  79   0.953 -19.731   1.059
  621    H    VAL  80           H        VAL  80   1.349 -17.060   5.621
  622    HA   VAL  80           HA       VAL  80  -0.412 -14.749   5.833
  623    HB   VAL  80           HB       VAL  80   2.310 -15.120   7.102
  624   HG11  VAL  80          HG11      VAL  80  -0.019 -13.400   7.943
  625   HG12  VAL  80          HG12      VAL  80   1.388 -12.821   7.055
  626   HG13  VAL  80          HG13      VAL  80   1.576 -13.456   8.690
  627   HG21  VAL  80          HG21      VAL  80   1.149 -15.899   9.110
  628   HG22  VAL  80          HG22      VAL  80   0.893 -16.988   7.746
  629   HG23  VAL  80          HG23      VAL  80  -0.381 -15.870   8.233
  630    H    TYR  81           H        TYR  81   0.254 -12.627   5.148
  631    HA   TYR  81           HA       TYR  81   2.409 -12.701   3.144
  632    HB2  TYR  81           HB2      TYR  81  -0.405 -11.697   2.835
  633    HB3  TYR  81           HB1      TYR  81   0.894 -11.108   1.807
  634    HD1  TYR  81           HD1      TYR  81  -1.192 -14.013   2.651
  635    HD2  TYR  81           HD2      TYR  81   1.875 -12.510   0.118
  636    HE1  TYR  81           HE1      TYR  81  -1.507 -15.929   1.140
  637    HE2  TYR  81           HE2      TYR  81   1.570 -14.418  -1.397
  638    HH   TYR  81           HH       TYR  81   0.704 -16.730  -1.297
  639    H    GLU  82           H        GLU  82   3.407 -10.780   2.635
  640    HA   GLU  82           HA       GLU  82   3.145  -8.564   4.551
  641    HB2  GLU  82           HB2      GLU  82   5.265  -9.260   2.501
  642    HB3  GLU  82           HB1      GLU  82   5.281  -7.791   3.461
  643    HG2  GLU  82           HG2      GLU  82   5.144 -10.419   4.840
  644    HG3  GLU  82           HG1      GLU  82   6.679  -9.874   4.164
  645    H    GLY  83           H        GLY  83   1.995  -6.827   3.895
  646    HA2  GLY  83           HA2      GLY  83   1.692  -6.427   0.983
  647    HA3  GLY  83           HA1      GLY  83   0.398  -6.128   2.134
  648    H    GLN  84           H        GLN  84   1.787  -4.384   0.161
  649    HA   GLN  84           HA       GLN  84   2.157  -2.160   2.014
  650    HB2  GLN  84           HB2      GLN  84   4.098  -1.347   0.634
  651    HB3  GLN  84           HB1      GLN  84   4.422  -2.770   1.614
  652    HG2  GLN  84           HG2      GLN  84   4.218  -4.195  -0.320
  653    HG3  GLN  84           HG1      GLN  84   3.766  -2.814  -1.320
  654   HE21  GLN  84          HE21      GLN  84   6.357  -4.390   0.391
  655   HE22  GLN  84          HE22      GLN  84   7.647  -3.535  -0.381
  656    H    LEU  85           H        LEU  85   1.246  -0.328   1.362
  657    HA   LEU  85           HA       LEU  85   0.129  -0.244  -1.359
  658    HB2  LEU  85           HB2      LEU  85  -1.448  -0.195   0.610
  659    HB3  LEU  85           HB1      LEU  85  -0.739   1.338   1.067
  660    HG   LEU  85           HG       LEU  85  -2.968   1.393  -0.176
  661   HD11  LEU  85          HD11      LEU  85  -0.675   2.979  -1.318
  662   HD12  LEU  85          HD12      LEU  85  -1.583   3.378   0.141
  663   HD13  LEU  85          HD13      LEU  85  -2.387   3.392  -1.429
  664   HD21  LEU  85          HD21      LEU  85  -2.310  -0.297  -1.866
  665   HD22  LEU  85          HD22      LEU  85  -1.203   0.885  -2.562
  666   HD23  LEU  85          HD23      LEU  85  -2.940   1.195  -2.559
  667    H    ILE  86           H        ILE  86   1.171   1.035  -2.707
  668    HA   ILE  86           HA       ILE  86   2.805   3.236  -1.633
  669    HB   ILE  86           HB       ILE  86   2.973   2.064  -4.404
  670   HG12  ILE  86          HG12      ILE  86   4.744   1.279  -2.090
  671   HG13  ILE  86          HG11      ILE  86   3.300   0.368  -2.511
  672   HG21  ILE  86          HG21      ILE  86   4.928   3.642  -2.729
  673   HG22  ILE  86          HG22      ILE  86   4.016   4.243  -4.115
  674   HG23  ILE  86          HG23      ILE  86   5.248   3.002  -4.341
  675   HD11  ILE  86          HD11      ILE  86   4.201  -0.150  -4.675
  676   HD12  ILE  86          HD12      ILE  86   5.367  -0.593  -3.428
  677   HD13  ILE  86          HD13      ILE  86   5.604   0.877  -4.374
  678    H    SER  87           H        SER  87   1.866   5.186  -1.788
  679    HA   SER  87           HA       SER  87  -0.117   5.648  -3.883
  680    HB2  SER  87           HB2      SER  87  -0.498   7.800  -2.591
  681    HB3  SER  87           HB1      SER  87  -0.862   6.311  -1.719
  682    HG   SER  87           HG       SER  87   0.756   8.229  -0.968
  683    H    ILE  88           H        ILE  88   0.566   6.428  -5.761
  684    HA   ILE  88           HA       ILE  88   2.966   8.084  -5.865
  685    HB   ILE  88           HB       ILE  88   1.230   7.138  -8.151
  686   HG12  ILE  88          HG12      ILE  88   2.196   5.225  -7.002
  687   HG13  ILE  88          HG11      ILE  88   3.008   5.463  -8.545
  688   HG21  ILE  88          HG21      ILE  88   3.215   7.683  -9.526
  689   HG22  ILE  88          HG22      ILE  88   3.986   8.366  -8.094
  690   HG23  ILE  88          HG23      ILE  88   2.514   9.095  -8.735
  691   HD11  ILE  88          HD11      ILE  88   4.874   6.535  -7.378
  692   HD12  ILE  88          HD12      ILE  88   4.593   4.887  -6.820
  693   HD13  ILE  88          HD13      ILE  88   4.060   6.251  -5.840
  694    H    GLN  89           H        GLN  89   2.560  10.109  -5.248
  695    HA   GLN  89           HA       GLN  89   0.106  11.433  -6.086
  696    HB2  GLN  89           HB2      GLN  89   2.343  12.281  -4.245
  697    HB3  GLN  89           HB1      GLN  89   0.935  13.272  -4.610
  698    HG2  GLN  89           HG2      GLN  89  -0.531  11.669  -3.612
  699    HG3  GLN  89           HG1      GLN  89   0.793  10.524  -3.398
  700   HE21  GLN  89          HE21      GLN  89   2.281  10.862  -1.774
  701   HE22  GLN  89          HE22      GLN  89   2.005  11.978  -0.475
  702    H    GLN  90           H        GLN  90   0.256  13.664  -6.896
  703    HA   GLN  90           HA       GLN  90   1.598  13.603  -9.369
  704    HB2  GLN  90           HB2      GLN  90   0.593  15.740  -9.789
  705    HB3  GLN  90           HB1      GLN  90  -0.569  14.735  -8.936
  706    HG2  GLN  90           HG2      GLN  90  -0.056  15.888  -6.851
  707    HG3  GLN  90           HG1      GLN  90   1.134  16.884  -7.690
  708   HE21  GLN  90          HE21      GLN  90  -1.229  17.714  -6.226
  709   HE22  GLN  90          HE22      GLN  90  -2.208  18.592  -7.351
  710    H    TYR  91           H        TYR  91   2.741  14.570  -6.343
  711    HA   TYR  91           HA       TYR  91   4.657  16.484  -7.427
  712    HB2  TYR  91           HB2      TYR  91   4.365  15.497  -4.580
  713    HB3  TYR  91           HB1      TYR  91   5.301  16.886  -5.122
  714    HD1  TYR  91           HD1      TYR  91   4.112  18.915  -5.962
  715    HD2  TYR  91           HD2      TYR  91   2.036  15.655  -4.188
  716    HE1  TYR  91           HE1      TYR  91   2.142  20.353  -5.633
  717    HE2  TYR  91           HE2      TYR  91   0.066  17.077  -3.856
  718    HH   TYR  91           HH       TYR  91  -0.314  20.082  -5.353
  719    H    GLY  92           H        GLY  92   4.389  13.231  -7.247
  720    HA2  GLY  92           HA2      GLY  92   5.952  11.594  -7.713
  721    HA3  GLY  92           HA1      GLY  92   7.222  12.808  -7.587
  722    H    HIS  93           H        HIS  93   5.214  12.950  -4.919
  723    HA   HIS  93           HA       HIS  93   7.208  11.731  -3.230
  724    HB2  HIS  93           HB2      HIS  93   5.833  13.841  -2.696
  725    HB3  HIS  93           HB1      HIS  93   4.497  12.746  -2.364
  726    HD1  HIS  93           HD1      HIS  93   4.259  12.802   0.119
  727    HD2  HIS  93           HD2      HIS  93   8.235  12.450  -1.072
  728    HE1  HIS  93           HE1      HIS  93   5.584  12.523   2.233
  729    HE2  HIS  93           HE2      HIS  93   7.959  12.162   1.482
  730    H    GLN  94           H        GLN  94   7.239   9.616  -2.825
  731    HA   GLN  94           HA       GLN  94   4.775   8.084  -3.312
  732    HB2  GLN  94           HB2      GLN  94   7.629   7.091  -3.207
  733    HB3  GLN  94           HB1      GLN  94   6.218   6.168  -3.701
  734    HG2  GLN  94           HG2      GLN  94   5.961   7.501  -5.673
  735    HG3  GLN  94           HG1      GLN  94   7.233   8.600  -5.145
  736   HE21  GLN  94          HE21      GLN  94   7.035   7.012  -7.587
  737   HE22  GLN  94          HE22      GLN  94   8.439   6.007  -7.617
  738    H    GLU  95           H        GLU  95   3.744   7.382  -1.580
  739    HA   GLU  95           HA       GLU  95   5.281   6.981   0.895
  740    HB2  GLU  95           HB2      GLU  95   2.366   7.667   0.494
  741    HB3  GLU  95           HB1      GLU  95   3.085   7.283   2.052
  742    HG2  GLU  95           HG2      GLU  95   3.873   9.585   0.277
  743    HG3  GLU  95           HG1      GLU  95   2.859   9.692   1.715
  744    H    VAL  96           H        VAL  96   5.464   4.983   1.630
  745    HA   VAL  96           HA       VAL  96   3.735   2.919   0.443
  746    HB   VAL  96           HB       VAL  96   6.496   2.539   1.611
  747   HG11  VAL  96          HG11      VAL  96   5.150   0.535   1.739
  748   HG12  VAL  96          HG12      VAL  96   6.379   0.344   0.487
  749   HG13  VAL  96          HG13      VAL  96   4.710   0.690   0.037
  750   HG21  VAL  96          HG21      VAL  96   5.641   2.782  -1.268
  751   HG22  VAL  96          HG22      VAL  96   7.232   2.242  -0.735
  752   HG23  VAL  96          HG23      VAL  96   6.691   3.881  -0.378
  753    H    THR  97           H        THR  97   2.161   2.510   1.850
  754    HA   THR  97           HA       THR  97   2.794   2.340   4.707
  755    HB   THR  97           HB       THR  97   0.068   2.227   3.402
  756    HG1  THR  97           HG1      THR  97  -0.016   4.473   4.132
  757   HG21  THR  97          HG21      THR  97   0.151   1.312   5.666
  758   HG22  THR  97          HG22      THR  97  -0.716   2.848   5.651
  759   HG23  THR  97          HG23      THR  97   0.944   2.778   6.241
  760    H    ARG  98           H        ARG  98   3.371   0.405   5.405
  761    HA   ARG  98           HA       ARG  98   2.603  -1.975   3.916
  762    HB2  ARG  98           HB2      ARG  98   4.483  -1.649   6.258
  763    HB3  ARG  98           HB1      ARG  98   4.270  -3.112   5.304
  764    HG2  ARG  98           HG2      ARG  98   5.196  -2.071   3.367
  765    HG3  ARG  98           HG1      ARG  98   5.207  -0.495   4.159
  766    HD2  ARG  98           HD2      ARG  98   6.800  -2.894   5.050
  767    HD3  ARG  98           HD1      ARG  98   7.432  -1.556   4.091
  768    HE   ARG  98           HE       ARG  98   6.258  -0.525   6.426
  769   HH11  ARG  98          HH11      ARG  98   9.038  -2.401   5.418
  770   HH12  ARG  98          HH12      ARG  98  10.027  -1.885   6.745
  771   HH21  ARG  98          HH21      ARG  98   7.570   0.170   8.167
  772   HH22  ARG  98          HH22      ARG  98   9.199  -0.414   8.297
  773    H    PHE  99           H        PHE  99   1.557  -3.744   4.821
  774    HA   PHE  99           HA       PHE  99   0.430  -3.450   7.493
  775    HB2  PHE  99           HB2      PHE  99  -1.854  -4.018   6.640
  776    HB3  PHE  99           HB1      PHE  99  -1.286  -2.426   6.157
  777    HD1  PHE  99           HD1      PHE  99  -2.359  -5.692   5.038
  778    HD2  PHE  99           HD2      PHE  99  -0.555  -2.035   3.820
  779    HE1  PHE  99           HE1      PHE  99  -2.840  -6.241   2.689
  780    HE2  PHE  99           HE2      PHE  99  -1.030  -2.581   1.469
  781    HZ   PHE  99           HZ       PHE  99  -2.175  -4.685   0.901
  782    H    ASP 100           H        ASP 100  -0.563  -5.435   8.270
  783    HA   ASP 100           HA       ASP 100   0.785  -7.789   7.123
  784    HB2  ASP 100           HB2      ASP 100   1.497  -7.128   9.410
  785    HB3  ASP 100           HB1      ASP 100  -0.162  -7.313   9.962
  786    H    PHE 101           H        PHE 101  -0.444  -9.480   6.458
  787    HA   PHE 101           HA       PHE 101  -3.139  -9.826   7.429
  788    HB2  PHE 101           HB2      PHE 101  -4.259  -9.590   5.299
  789    HB3  PHE 101           HB1      PHE 101  -3.406  -8.096   5.663
  790    HD1  PHE 101           HD1      PHE 101  -4.046 -10.523   3.212
  791    HD2  PHE 101           HD2      PHE 101  -1.002  -7.902   4.614
  792    HE1  PHE 101           HE1      PHE 101  -2.943 -10.627   1.015
  793    HE2  PHE 101           HE2      PHE 101   0.102  -8.010   2.421
  794    HZ   PHE 101           HZ       PHE 101  -0.871  -9.368   0.617
  795    H    THR 102           H        THR 102  -4.202 -11.719   6.326
  796    HA   THR 102           HA       THR 102  -2.485 -13.578   4.965
  797    HB   THR 102           HB       THR 102  -1.768 -13.927   7.299
  798    HG1  THR 102           HG1      THR 102  -2.011 -15.724   5.748
  799   HG21  THR 102          HG21      THR 102  -3.821 -13.251   8.446
  800   HG22  THR 102          HG22      THR 102  -3.321 -14.865   8.948
  801   HG23  THR 102          HG23      THR 102  -4.652 -14.668   7.807
  802    H    THR 103           H        THR 103  -3.645 -15.149   3.902
  803    HA   THR 103           HA       THR 103  -6.515 -14.976   3.911
  804    HB   THR 103           HB       THR 103  -5.680 -17.288   2.520
  805    HG1  THR 103           HG1      THR 103  -3.726 -16.833   1.846
  806   HG21  THR 103          HG21      THR 103  -6.286 -14.509   1.498
  807   HG22  THR 103          HG22      THR 103  -7.478 -15.760   1.852
  808   HG23  THR 103          HG23      THR 103  -6.321 -15.991   0.541
  809    H    THR 104           H        THR 104  -7.242 -15.635   5.896
  810    HA   THR 104           HA       THR 104  -6.319 -18.193   6.961
  811    HB   THR 104           HB       THR 104  -6.266 -16.356   8.532
  812    HG1  THR 104           HG1      THR 104  -6.754 -18.054   9.736
  813   HG21  THR 104          HG21      THR 104  -9.223 -16.061   8.001
  814   HG22  THR 104          HG22      THR 104  -7.959 -14.913   7.562
  815   HG23  THR 104          HG23      THR 104  -8.323 -15.215   9.261
  816    H    SER 105           H        SER 105  -7.581 -19.944   7.159
  817    HA   SER 105           HA       SER 105 -10.276 -19.786   6.002
  818    HB2  SER 105           HB2      SER 105  -9.872 -22.286   5.595
  819    HB3  SER 105           HB1      SER 105  -8.927 -21.162   4.617
  820    HG   SER 105           HG       SER 105  -7.467 -22.603   5.380
  821    H    THR 106           H        THR 106  -8.394 -21.692   8.349
  822    HA   THR 106           HA       THR 106 -10.808 -22.445   9.750
  823    HB   THR 106           HB       THR 106  -9.124 -23.564  11.326
  824    HG1  THR 106           HG1      THR 106  -7.420 -22.144   9.924
  825   HG21  THR 106          HG21      THR 106  -9.164 -24.376   8.418
  826   HG22  THR 106          HG22      THR 106 -10.396 -24.776   9.615
  827   HG23  THR 106          HG23      THR 106  -8.764 -25.423   9.779
  828    H    SER 107           H        SER 107 -11.202 -20.054  10.089
  829    HA   SER 107           HA       SER 107  -9.752 -18.951  12.370
  830    HB2  SER 107           HB2      SER 107 -12.065 -17.659  10.931
  831    HB3  SER 107           HB1      SER 107 -10.773 -16.885  11.846
  832    HG   SER 107           HG       SER 107  -9.336 -17.778  10.145
  833    H    THR 108           H        THR 108 -10.672 -20.792  13.696
  834    HA   THR 108           HA       THR 108 -13.220 -19.919  14.836
  835    HB   THR 108           HB       THR 108 -13.887 -21.714  13.413
  836    HG1  THR 108           HG1      THR 108 -14.966 -21.883  15.318
  837   HG21  THR 108          HG21      THR 108 -11.745 -23.404  14.698
  838   HG22  THR 108          HG22      THR 108 -11.725 -22.779  13.050
  839   HG23  THR 108          HG23      THR 108 -12.939 -23.965  13.528
  840    HA   PRO 109           HA       PRO 109 -10.022 -20.584  18.129
  841    HB2  PRO 109           HB2      PRO 109 -10.991 -18.011  19.125
  842    HB3  PRO 109           HB1      PRO 109  -9.351 -18.484  18.679
  843    HG2  PRO 109           HG2      PRO 109 -10.794 -16.731  17.221
  844    HG3  PRO 109           HG1      PRO 109  -9.620 -17.839  16.485
  845    HD2  PRO 109           HD2      PRO 109 -12.609 -18.074  16.639
  846    HD3  PRO 109           HD1      PRO 109 -11.523 -18.396  15.268
  847    H    GLY 110           H        GLY 110 -10.387 -20.730  20.467
  848    HA2  GLY 110           HA2      GLY 110 -11.804 -20.939  22.351
  849    HA3  GLY 110           HA1      GLY 110 -13.199 -20.784  21.288
  850    H    SER 111           H        SER 111 -10.390 -22.885  21.040
  851    HA   SER 111           HA       SER 111 -11.845 -25.052  20.042
  852    HB2  SER 111           HB2      SER 111  -9.399 -24.626  19.718
  853    HB3  SER 111           HB1      SER 111  -9.134 -25.145  21.380
  854    HG   SER 111           HG       SER 111  -8.800 -26.840  19.885
  855    H    ARG 112           H        ARG 112 -11.159 -24.098  23.318
  856    HA   ARG 112           HA       ARG 112 -11.581 -26.641  24.524
  857    HB2  ARG 112           HB2      ARG 112 -11.745 -23.844  25.639
  858    HB3  ARG 112           HB1      ARG 112 -11.941 -25.287  26.620
  859    HG2  ARG 112           HG2      ARG 112  -9.483 -24.619  25.018
  860    HG3  ARG 112           HG1      ARG 112  -9.685 -24.314  26.743
  861    HD2  ARG 112           HD2      ARG 112 -10.096 -26.759  27.047
  862    HD3  ARG 112           HD1      ARG 112  -9.671 -26.986  25.350
  863    HE   ARG 112           HE       ARG 112  -7.599 -25.574  26.583
  864   HH11  ARG 112          HH11      ARG 112  -9.062 -28.751  26.666
  865   HH12  ARG 112          HH12      ARG 112  -7.611 -29.546  27.187
  866   HH21  ARG 112          HH21      ARG 112  -5.681 -26.628  27.269
  867   HH22  ARG 112          HH22      ARG 112  -5.696 -28.342  27.535
  868    H    SER 113           H        SER 113 -13.690 -23.911  23.781
  869    HA   SER 113           HA       SER 113 -15.928 -25.189  25.108
  870    HB2  SER 113           HB2      SER 113 -15.809 -22.586  23.572
  871    HB3  SER 113           HB1      SER 113 -17.148 -23.138  24.582
  872    HG   SER 113           HG       SER 113 -14.509 -22.480  25.401
  873    H    HIS 114           H        HIS 114 -14.648 -24.886  21.909
  874    HA   HIS 114           HA       HIS 114 -17.078 -25.505  20.536
  875    HB2  HIS 114           HB2      HIS 114 -14.184 -25.640  19.689
  876    HB3  HIS 114           HB1      HIS 114 -15.505 -26.111  18.626
  877    HD1  HIS 114           HD1      HIS 114 -17.467 -23.785  19.274
  878    HD2  HIS 114           HD2      HIS 114 -13.411 -23.318  18.503
  879    HE1  HIS 114           HE1      HIS 114 -17.199 -21.419  18.482
  880    HE2  HIS 114           HE2      HIS 114 -14.713 -21.100  18.251
  881    H    HIS 115           H        HIS 115 -18.077 -27.302  21.175
  882    HA   HIS 115           HA       HIS 115 -16.554 -29.762  21.563
  883    HB2  HIS 115           HB2      HIS 115 -18.302 -29.031  23.227
  884    HB3  HIS 115           HB1      HIS 115 -19.517 -29.296  21.983
  885    HD1  HIS 115           HD1      HIS 115 -20.138 -31.745  21.432
  886    HD2  HIS 115           HD2      HIS 115 -17.226 -31.357  24.375
  887    HE1  HIS 115           HE1      HIS 115 -19.906 -34.025  22.459
  888    HE2  HIS 115           HE2      HIS 115 -18.086 -33.789  24.182
  889    H    HIS 116           H        HIS 116 -16.133 -29.558  19.144
  890    HA   HIS 116           HA       HIS 116 -18.339 -30.707  17.587
  891    HB2  HIS 116           HB2      HIS 116 -15.742 -29.418  16.748
  892    HB3  HIS 116           HB1      HIS 116 -16.745 -30.325  15.626
  893    HD1  HIS 116           HD1      HIS 116 -18.434 -28.999  14.406
  894    HD2  HIS 116           HD2      HIS 116 -17.216 -27.113  17.901
  895    HE1  HIS 116           HE1      HIS 116 -19.520 -26.736  14.363
  896    HE2  HIS 116           HE2      HIS 116 -18.568 -25.533  16.359
  897    H    HIS 117           H        HIS 117 -14.886 -31.131  17.088
  898    HA   HIS 117           HA       HIS 117 -13.628 -32.976  16.672
  899    HB2  HIS 117           HB2      HIS 117 -15.178 -34.025  19.047
  900    HB3  HIS 117           HB1      HIS 117 -13.705 -34.740  18.409
  901    HD1  HIS 117           HD1      HIS 117 -14.649 -32.847  21.136
  902    HD2  HIS 117           HD2      HIS 117 -11.654 -32.366  18.299
  903    HE1  HIS 117           HE1      HIS 117 -12.938 -31.352  22.209
  904    HE2  HIS 117           HE2      HIS 117 -11.258 -30.901  20.390
  905    H    HIS 118           H        HIS 118 -15.914 -32.812  15.068
  906    HA   HIS 118           HA       HIS 118 -16.753 -35.622  14.847
  907    HB2  HIS 118           HB2      HIS 118 -18.593 -34.039  15.386
  908    HB3  HIS 118           HB1      HIS 118 -18.241 -33.161  13.902
  909    HD1  HIS 118           HD1      HIS 118 -19.348 -33.981  11.809
  910    HD2  HIS 118           HD2      HIS 118 -19.589 -36.727  14.920
  911    HE1  HIS 118           HE1      HIS 118 -20.874 -35.802  10.987
  912    HE2  HIS 118           HE2      HIS 118 -20.897 -37.514  12.831
  913    H    HIS 119           H        HIS 119 -16.446 -36.658  12.960
  914    HA   HIS 119           HA       HIS 119 -14.805 -35.341  10.975
  915    HB2  HIS 119           HB2      HIS 119 -14.268 -37.628  11.717
  916    HB3  HIS 119           HB1      HIS 119 -15.822 -38.191  11.115
  917    HD1  HIS 119           HD1      HIS 119 -15.798 -39.101   8.820
  918    HD2  HIS 119           HD2      HIS 119 -12.577 -36.572   9.518
  919    HE1  HIS 119           HE1      HIS 119 -14.373 -39.234   6.752
  920    HE2  HIS 119           HE2      HIS 119 -12.353 -37.819   7.265
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   6.138   9.175  15.783
    2    H2   GLY   1           HT2      GLY   1   7.570   9.137  16.676
    3    H3   GLY   1           HT3      GLY   1   6.091   8.840  17.438
    4    HA2  GLY   1           HA1      GLY   1   7.285   6.782  17.096
    5    HA3  GLY   1           HA2      GLY   1   5.791   6.822  16.171
    6    H    SER   2           H        SER   2   6.853   5.143  14.897
    7    HA   SER   2           HA       SER   2   8.665   6.306  12.886
    8    HB2  SER   2           HB2      SER   2   8.550   3.415  13.783
    9    HB3  SER   2           HB1      SER   2   9.671   4.103  12.608
   10    HG   SER   2           HG       SER   2   9.530   4.572  15.395
   11    H    GLN   3           H        GLN   3   7.774   6.471  10.953
   12    HA   GLN   3           HA       GLN   3   6.345   6.284   9.216
   13    HB2  GLN   3           HB2      GLN   3   6.429   3.405  10.100
   14    HB3  GLN   3           HB1      GLN   3   5.493   3.924   8.707
   15    HG2  GLN   3           HG2      GLN   3   7.494   3.178   7.800
   16    HG3  GLN   3           HG1      GLN   3   7.670   4.931   7.837
   17   HE21  GLN   3          HE21      GLN   3   9.879   4.900   7.847
   18   HE22  GLN   3          HE22      GLN   3  10.814   4.348   9.191
   19    H    THR   4           H        THR   4   5.329   6.984  11.845
   20    HA   THR   4           HA       THR   4   2.589   5.967  11.775
   21    HB   THR   4           HB       THR   4   2.379   7.371  13.901
   22    HG1  THR   4           HG1      THR   4   4.088   8.434  14.570
   23   HG21  THR   4          HG21      THR   4   2.618   4.947  13.963
   24   HG22  THR   4          HG22      THR   4   3.529   5.686  15.279
   25   HG23  THR   4          HG23      THR   4   4.371   5.101  13.845
   26    H    THR   5           H        THR   5   4.357   9.039  11.837
   27    HA   THR   5           HA       THR   5   1.963  10.459  10.989
   28    HB   THR   5           HB       THR   5   4.705  11.530  11.691
   29    HG1  THR   5           HG1      THR   5   2.470  10.807  13.171
   30   HG21  THR   5          HG21      THR   5   3.444  13.042  10.219
   31   HG22  THR   5          HG22      THR   5   3.582  13.702  11.848
   32   HG23  THR   5          HG23      THR   5   2.068  12.967  11.322
   33    H    ALA   6           H        ALA   6   1.543  10.350   8.920
   34    HA   ALA   6           HA       ALA   6   3.497  11.301   7.002
   35    HB1  ALA   6           HB1      ALA   6   3.191   9.393   5.490
   36    HB2  ALA   6           HB2      ALA   6   2.217   8.581   6.716
   37    HB3  ALA   6           HB3      ALA   6   3.926   8.898   7.014
   38    HA   PRO   7           HA       PRO   7  -0.725  12.990   6.503
   39    HB2  PRO   7           HB2      PRO   7   0.764  15.103   5.082
   40    HB3  PRO   7           HB1      PRO   7  -0.376  15.238   6.423
   41    HG2  PRO   7           HG2      PRO   7   2.248  15.609   6.789
   42    HG3  PRO   7           HG1      PRO   7   1.247  14.811   8.017
   43    HD2  PRO   7           HD2      PRO   7   3.115  13.600   6.015
   44    HD3  PRO   7           HD1      PRO   7   2.863  13.175   7.721
   45    H    ASP   8           H        ASP   8   1.648  12.102   4.176
   46    HA   ASP   8           HA       ASP   8  -0.210  12.554   1.950
   47    HB2  ASP   8           HB2      ASP   8   2.687  11.679   1.923
   48    HB3  ASP   8           HB1      ASP   8   1.705  11.985   0.497
   49    H    ALA   9           H        ALA   9   0.492  10.181   4.141
   50    HA   ALA   9           HA       ALA   9   0.089   7.984   2.229
   51    HB1  ALA   9           HB1      ALA   9   1.178   6.549   3.802
   52    HB2  ALA   9           HB2      ALA   9   1.206   7.828   5.014
   53    HB3  ALA   9           HB3      ALA   9   2.185   7.976   3.558
   54    HA   PRO  10           HA       PRO  10  -3.924   7.171   4.039
   55    HB2  PRO  10           HB2      PRO  10  -3.279   4.359   3.340
   56    HB3  PRO  10           HB1      PRO  10  -4.679   5.337   2.889
   57    HG2  PRO  10           HG2      PRO  10  -2.775   4.773   1.110
   58    HG3  PRO  10           HG1      PRO  10  -3.566   6.361   1.134
   59    HD2  PRO  10           HD2      PRO  10  -0.870   5.579   2.150
   60    HD3  PRO  10           HD1      PRO  10  -1.364   7.043   1.319
   61    HA   PRO  11           HA       PRO  11  -2.388   6.479   8.146
   62    HB2  PRO  11           HB2      PRO  11  -5.265   5.772   8.555
   63    HB3  PRO  11           HB1      PRO  11  -4.215   6.816   9.521
   64    HG2  PRO  11           HG2      PRO  11  -5.981   7.869   7.838
   65    HG3  PRO  11           HG1      PRO  11  -4.366   8.580   8.021
   66    HD2  PRO  11           HD2      PRO  11  -5.482   6.960   5.792
   67    HD3  PRO  11           HD1      PRO  11  -4.255   8.241   5.758
   68    H    ASP  12           H        ASP  12  -5.063   4.201   7.565
   69    HA   ASP  12           HA       ASP  12  -3.229   1.972   8.026
   70    HB2  ASP  12           HB2      ASP  12  -4.123   2.454  10.224
   71    HB3  ASP  12           HB1      ASP  12  -5.765   2.477   9.591
   72    HA   PRO  13           HA       PRO  13  -5.909   0.473   4.723
   73    HB2  PRO  13           HB2      PRO  13  -3.920  -1.576   4.301
   74    HB3  PRO  13           HB1      PRO  13  -4.324  -0.212   3.260
   75    HG2  PRO  13           HG2      PRO  13  -1.947  -0.458   4.595
   76    HG3  PRO  13           HG1      PRO  13  -2.654   1.094   4.112
   77    HD2  PRO  13           HD2      PRO  13  -2.685  -0.255   6.786
   78    HD3  PRO  13           HD1      PRO  13  -2.469   1.463   6.388
   79    H    THR  14           H        THR  14  -7.468  -1.011   4.917
   80    HA   THR  14           HA       THR  14  -7.145  -3.056   7.003
   81    HB   THR  14           HB       THR  14  -9.640  -3.084   7.070
   82    HG1  THR  14           HG1      THR  14 -10.370  -2.224   5.229
   83   HG21  THR  14          HG21      THR  14  -9.874  -0.970   8.288
   84   HG22  THR  14          HG22      THR  14  -8.356  -0.404   7.594
   85   HG23  THR  14          HG23      THR  14  -8.362  -1.782   8.694
   86    H    VAL  15           H        VAL  15  -7.612  -5.152   6.578
   87    HA   VAL  15           HA       VAL  15  -8.201  -5.837   3.785
   88    HB   VAL  15           HB       VAL  15  -6.997  -7.485   6.011
   89   HG11  VAL  15          HG11      VAL  15  -7.787  -8.349   3.232
   90   HG12  VAL  15          HG12      VAL  15  -8.478  -8.924   4.747
   91   HG13  VAL  15          HG13      VAL  15  -6.801  -9.297   4.343
   92   HG21  VAL  15          HG21      VAL  15  -5.094  -7.619   4.412
   93   HG22  VAL  15          HG22      VAL  15  -5.421  -5.988   4.991
   94   HG23  VAL  15          HG23      VAL  15  -5.939  -6.473   3.376
   95    H    ASP  16           H        ASP  16 -10.253  -6.137   3.389
   96    HA   ASP  16           HA       ASP  16 -11.950  -7.345   5.474
   97    HB2  ASP  16           HB2      ASP  16 -12.691  -5.165   3.505
   98    HB3  ASP  16           HB1      ASP  16 -13.799  -5.931   4.636
   99    H    GLN  17           H        GLN  17 -13.892  -8.425   4.609
  100    HA   GLN  17           HA       GLN  17 -14.802 -10.099   3.377
  101    HB2  GLN  17           HB2      GLN  17 -14.018  -8.170   1.210
  102    HB3  GLN  17           HB1      GLN  17 -14.867  -9.648   0.860
  103    HG2  GLN  17           HG2      GLN  17 -16.559  -8.091   0.979
  104    HG3  GLN  17           HG1      GLN  17 -16.591  -8.839   2.571
  105   HE21  GLN  17          HE21      GLN  17 -14.232  -6.487   1.476
  106   HE22  GLN  17          HE22      GLN  17 -14.716  -5.226   2.555
  107    H    VAL  18           H        VAL  18 -12.951 -11.429   4.159
  108    HA   VAL  18           HA       VAL  18 -11.025 -12.173   2.114
  109    HB   VAL  18           HB       VAL  18 -11.486 -13.381   4.849
  110   HG11  VAL  18          HG11      VAL  18  -9.183 -13.680   2.925
  111   HG12  VAL  18          HG12      VAL  18 -10.367 -14.919   3.340
  112   HG13  VAL  18          HG13      VAL  18  -9.242 -14.331   4.564
  113   HG21  VAL  18          HG21      VAL  18  -9.508 -12.097   5.533
  114   HG22  VAL  18          HG22      VAL  18 -10.832 -11.048   5.028
  115   HG23  VAL  18          HG23      VAL  18  -9.467 -11.328   3.948
  116    H    ASP  19           H        ASP  19 -11.429 -13.660   0.633
  117    HA   ASP  19           HA       ASP  19 -13.717 -15.473   1.006
  118    HB2  ASP  19           HB2      ASP  19 -12.189 -14.840  -1.530
  119    HB3  ASP  19           HB1      ASP  19 -13.671 -15.778  -1.413
  120    H    ASP  20           H        ASP  20 -12.963 -17.323  -0.956
  121    HA   ASP  20           HA       ASP  20 -11.481 -19.227   0.401
  122    HB2  ASP  20           HB2      ASP  20 -12.889 -19.904  -1.403
  123    HB3  ASP  20           HB1      ASP  20 -12.044 -18.865  -2.542
  124    H    THR  21           H        THR  21 -10.390 -17.128  -2.262
  125    HA   THR  21           HA       THR  21  -7.672 -17.248  -1.203
  126    HB   THR  21           HB       THR  21  -6.988 -17.485  -3.755
  127    HG1  THR  21           HG1      THR  21  -9.333 -19.109  -3.649
  128   HG21  THR  21          HG21      THR  21  -6.244 -18.983  -1.978
  129   HG22  THR  21          HG22      THR  21  -6.701 -19.903  -3.412
  130   HG23  THR  21          HG23      THR  21  -7.790 -19.828  -2.027
  131    H    SER  22           H        SER  22  -9.693 -15.145  -1.307
  132    HA   SER  22           HA       SER  22  -8.080 -13.137  -2.657
  133    HB2  SER  22           HB2      SER  22 -10.186 -12.108  -3.644
  134    HB3  SER  22           HB1      SER  22  -9.616 -13.586  -4.413
  135    HG   SER  22           HG       SER  22 -11.853 -13.187  -2.737
  136    H    ILE  23           H        ILE  23  -8.309 -11.055  -1.832
  137    HA   ILE  23           HA       ILE  23 -10.144 -10.716   0.454
  138    HB   ILE  23           HB       ILE  23  -8.492  -9.454   1.682
  139   HG12  ILE  23          HG12      ILE  23  -6.417 -10.115  -0.393
  140   HG13  ILE  23          HG11      ILE  23  -7.387  -8.654  -0.514
  141   HG21  ILE  23          HG21      ILE  23  -7.338 -12.074   0.743
  142   HG22  ILE  23          HG22      ILE  23  -8.464 -11.841   2.079
  143   HG23  ILE  23          HG23      ILE  23  -6.826 -11.195   2.183
  144   HD11  ILE  23          HD11      ILE  23  -5.357  -8.039   0.495
  145   HD12  ILE  23          HD12      ILE  23  -5.414  -9.398   1.621
  146   HD13  ILE  23          HD13      ILE  23  -6.555  -8.064   1.788
  147    H    VAL  24           H        VAL  24 -10.621  -8.422   0.899
  148    HA   VAL  24           HA       VAL  24 -10.068  -6.670  -1.405
  149    HB   VAL  24           HB       VAL  24 -12.209  -6.285   0.697
  150   HG11  VAL  24          HG11      VAL  24 -11.426  -4.220  -0.324
  151   HG12  VAL  24          HG12      VAL  24 -13.067  -4.594  -0.849
  152   HG13  VAL  24          HG13      VAL  24 -11.706  -4.893  -1.929
  153   HG21  VAL  24          HG21      VAL  24 -12.488  -7.303  -2.125
  154   HG22  VAL  24          HG22      VAL  24 -13.814  -6.935  -1.021
  155   HG23  VAL  24          HG23      VAL  24 -12.700  -8.250  -0.654
  156    H    VAL  25           H        VAL  25  -8.249  -5.612  -0.929
  157    HA   VAL  25           HA       VAL  25  -7.817  -4.664   1.795
  158    HB   VAL  25           HB       VAL  25  -5.882  -5.697   0.902
  159   HG11  VAL  25          HG11      VAL  25  -4.810  -4.904  -1.210
  160   HG12  VAL  25          HG12      VAL  25  -6.289  -3.998  -1.544
  161   HG13  VAL  25          HG13      VAL  25  -6.338  -5.758  -1.413
  162   HG21  VAL  25          HG21      VAL  25  -5.374  -3.695   2.150
  163   HG22  VAL  25          HG22      VAL  25  -5.526  -2.714   0.692
  164   HG23  VAL  25          HG23      VAL  25  -4.220  -3.894   0.829
  165    H    ARG  26           H        ARG  26  -8.453  -2.727   2.369
  166    HA   ARG  26           HA       ARG  26  -8.774  -0.667   0.285
  167    HB2  ARG  26           HB2      ARG  26 -10.567  -1.171   2.668
  168    HB3  ARG  26           HB1      ARG  26 -10.720   0.184   1.559
  169    HG2  ARG  26           HG2      ARG  26 -11.054  -1.476  -0.280
  170    HG3  ARG  26           HG1      ARG  26 -11.119  -2.731   0.958
  171    HD2  ARG  26           HD2      ARG  26 -13.039  -1.696   1.974
  172    HD3  ARG  26           HD1      ARG  26 -12.929  -0.322   0.874
  173    HE   ARG  26           HE       ARG  26 -13.267  -2.896  -0.402
  174   HH11  ARG  26          HH11      ARG  26 -14.873  -0.082   0.921
  175   HH12  ARG  26          HH12      ARG  26 -16.325  -0.322   0.002
  176   HH21  ARG  26          HH21      ARG  26 -15.171  -3.208  -1.626
  177   HH22  ARG  26          HH22      ARG  26 -16.489  -2.090  -1.452
  178    H    TRP  27           H        TRP  27  -8.225   1.420   0.835
  179    HA   TRP  27           HA       TRP  27  -6.920   1.740   3.449
  180    HB2  TRP  27           HB2      TRP  27  -5.310   3.292   2.140
  181    HB3  TRP  27           HB1      TRP  27  -5.079   1.550   2.025
  182    HD1  TRP  27           HD1      TRP  27  -6.171   4.570  -0.044
  183    HE1  TRP  27           HE1      TRP  27  -6.213   3.894  -2.524
  184    HE3  TRP  27           HE3      TRP  27  -5.381  -0.454   0.465
  185    HZ2  TRP  27           HZ2      TRP  27  -5.941   1.542  -4.066
  186    HZ3  TRP  27           HZ3      TRP  27  -5.285  -1.845  -1.559
  187    HH2  TRP  27           HH2      TRP  27  -5.559  -0.866  -3.777
  188    H    SER  28           H        SER  28  -7.286   3.583   4.518
  189    HA   SER  28           HA       SER  28  -9.355   5.336   3.504
  190    HB2  SER  28           HB2      SER  28  -7.891   5.452   6.149
  191    HB3  SER  28           HB1      SER  28  -9.423   6.229   5.747
  192    HG   SER  28           HG       SER  28  -9.392   3.514   5.317
  193    H    ARG  29           H        ARG  29  -9.084   7.421   2.882
  194    HA   ARG  29           HA       ARG  29  -6.440   8.305   2.236
  195    HB2  ARG  29           HB2      ARG  29  -9.173   9.537   1.959
  196    HB3  ARG  29           HB1      ARG  29  -7.709  10.399   1.508
  197    HG2  ARG  29           HG2      ARG  29  -8.443   7.711   0.389
  198    HG3  ARG  29           HG1      ARG  29  -8.907   9.239  -0.360
  199    HD2  ARG  29           HD2      ARG  29  -6.074   8.390   0.232
  200    HD3  ARG  29           HD1      ARG  29  -6.858   8.268  -1.343
  201    HE   ARG  29           HE       ARG  29  -6.307  10.813   0.055
  202   HH11  ARG  29          HH11      ARG  29  -6.599   8.919  -2.880
  203   HH12  ARG  29          HH12      ARG  29  -6.334  10.276  -3.925
  204   HH21  ARG  29          HH21      ARG  29  -5.911  12.594  -1.326
  205   HH22  ARG  29          HH22      ARG  29  -5.952  12.362  -3.044
  206    HA   PRO  30           HA       PRO  30  -5.606  10.486   5.994
  207    HB2  PRO  30           HB2      PRO  30  -3.476  11.924   5.145
  208    HB3  PRO  30           HB1      PRO  30  -3.388  10.187   5.454
  209    HG2  PRO  30           HG2      PRO  30  -3.675  11.638   2.857
  210    HG3  PRO  30           HG1      PRO  30  -2.671  10.231   3.247
  211    HD2  PRO  30           HD2      PRO  30  -5.063  10.052   1.961
  212    HD3  PRO  30           HD1      PRO  30  -4.417   8.767   2.986
  213    H1   MET  31           HT1      MET  31 -21.636  36.005  -7.136
  214    H2   MET  31           HT2      MET  31 -21.624  34.521  -6.322
  215    H3   MET  31           HT3      MET  31 -21.925  34.571  -7.984
  216    HA   MET  31           HA       MET  31 -19.708  35.362  -8.410
  217    HB2  MET  31           HB2      MET  31 -19.538  35.224  -5.410
  218    HB3  MET  31           HB1      MET  31 -18.099  35.129  -6.407
  219    HG2  MET  31           HG2      MET  31 -20.067  37.402  -6.411
  220    HG3  MET  31           HG1      MET  31 -18.524  37.386  -5.562
  221    HE1  MET  31           HE1      MET  31 -16.774  35.737  -7.865
  222    HE2  MET  31           HE2      MET  31 -16.198  37.038  -6.824
  223    HE3  MET  31           HE3      MET  31 -15.992  37.151  -8.571
  224    H    ARG  32           H        ARG  32 -18.415  33.818  -9.208
  225    HA   ARG  32           HA       ARG  32 -17.819  31.410  -7.820
  226    HB2  ARG  32           HB2      ARG  32 -20.104  30.880  -8.677
  227    HB3  ARG  32           HB1      ARG  32 -19.509  31.130 -10.313
  228    HG2  ARG  32           HG2      ARG  32 -17.941  29.291 -10.041
  229    HG3  ARG  32           HG1      ARG  32 -18.493  29.054  -8.383
  230    HD2  ARG  32           HD2      ARG  32 -19.516  27.449  -9.918
  231    HD3  ARG  32           HD1      ARG  32 -20.719  28.505  -9.181
  232    HE   ARG  32           HE       ARG  32 -20.320  29.799 -11.438
  233   HH11  ARG  32          HH11      ARG  32 -20.561  26.349 -10.944
  234   HH12  ARG  32          HH12      ARG  32 -21.269  26.045 -12.497
  235   HH21  ARG  32          HH21      ARG  32 -21.252  29.417 -13.478
  236   HH22  ARG  32          HH22      ARG  32 -21.662  27.794 -13.939
  237    H    GLY  33           H        GLY  33 -15.888  32.768  -8.342
  238    HA2  GLY  33           HA2      GLY  33 -14.882  32.117 -11.044
  239    HA3  GLY  33           HA1      GLY  33 -14.493  33.615 -10.214
  240    H    SER  34           H        SER  34 -14.606  31.159  -7.984
  241    HA   SER  34           HA       SER  34 -11.685  30.974  -7.982
  242    HB2  SER  34           HB2      SER  34 -12.909  31.746  -5.915
  243    HB3  SER  34           HB1      SER  34 -13.611  30.135  -5.803
  244    HG   SER  34           HG       SER  34 -10.861  30.840  -5.653
  245    H    ASN  35           H        ASN  35 -11.217  29.375  -9.417
  246    HA   ASN  35           HA       ASN  35 -12.161  26.685  -8.701
  247    HB2  ASN  35           HB2      ASN  35 -13.366  27.585 -10.742
  248    HB3  ASN  35           HB1      ASN  35 -11.809  27.620 -11.559
  249   HD21  ASN  35          HD21      ASN  35 -14.156  26.130 -12.279
  250   HD22  ASN  35          HD22      ASN  35 -13.715  24.459 -12.255
  251    H    ALA  36           H        ALA  36 -10.188  26.367  -7.638
  252    HA   ALA  36           HA       ALA  36  -7.848  26.186  -9.417
  253    HB1  ALA  36           HB1      ALA  36  -7.841  26.860  -6.476
  254    HB2  ALA  36           HB2      ALA  36  -7.588  28.001  -7.797
  255    HB3  ALA  36           HB3      ALA  36  -6.421  26.711  -7.512
  256    HA   PRO  37           HA       PRO  37  -8.621  21.882  -8.232
  257    HB2  PRO  37           HB2      PRO  37  -6.842  20.846 -10.038
  258    HB3  PRO  37           HB1      PRO  37  -8.509  21.275 -10.433
  259    HG2  PRO  37           HG2      PRO  37  -5.990  22.814 -10.906
  260    HG3  PRO  37           HG1      PRO  37  -7.395  22.607 -11.968
  261    HD2  PRO  37           HD2      PRO  37  -6.999  24.851 -10.526
  262    HD3  PRO  37           HD1      PRO  37  -8.623  24.223 -10.869
  263    H    GLN  38           H        GLN  38  -7.574  20.594  -6.813
  264    HA   GLN  38           HA       GLN  38  -5.107  21.581  -5.702
  265    HB2  GLN  38           HB2      GLN  38  -6.849  19.241  -4.928
  266    HB3  GLN  38           HB1      GLN  38  -5.416  19.745  -4.041
  267    HG2  GLN  38           HG2      GLN  38  -6.464  21.933  -3.641
  268    HG3  GLN  38           HG1      GLN  38  -7.911  21.372  -4.474
  269   HE21  GLN  38          HE21      GLN  38  -5.989  19.323  -2.397
  270   HE22  GLN  38          HE22      GLN  38  -7.155  19.184  -1.131
  271    HA   PRO  39           HA       PRO  39  -2.605  18.913  -8.268
  272    HB2  PRO  39           HB2      PRO  39  -0.229  19.623  -7.134
  273    HB3  PRO  39           HB1      PRO  39  -1.062  20.608  -8.340
  274    HG2  PRO  39           HG2      PRO  39  -0.990  20.907  -5.369
  275    HG3  PRO  39           HG1      PRO  39  -0.914  22.155  -6.625
  276    HD2  PRO  39           HD2      PRO  39  -3.171  21.604  -5.232
  277    HD3  PRO  39           HD1      PRO  39  -3.195  22.185  -6.910
  278    H    SER  40           H        SER  40  -2.800  18.980  -4.823
  279    HA   SER  40           HA       SER  40  -1.190  16.639  -4.395
  280    HB2  SER  40           HB2      SER  40  -1.385  18.466  -2.715
  281    HB3  SER  40           HB1      SER  40  -3.078  18.041  -2.493
  282    HG   SER  40           HG       SER  40  -1.017  17.025  -1.246
  283    H    HIS  41           H        HIS  41  -2.468  15.382  -5.999
  284    HA   HIS  41           HA       HIS  41  -4.409  13.844  -4.471
  285    HB2  HIS  41           HB2      HIS  41  -5.979  13.640  -6.285
  286    HB3  HIS  41           HB1      HIS  41  -5.714  15.343  -5.974
  287    HD1  HIS  41           HD1      HIS  41  -5.216  16.745  -7.962
  288    HD2  HIS  41           HD2      HIS  41  -4.559  12.700  -8.686
  289    HE1  HIS  41           HE1      HIS  41  -4.786  16.554 -10.433
  290    HE2  HIS  41           HE2      HIS  41  -4.501  14.091 -10.864
  291    H    ILE  42           H        ILE  42  -4.385  11.656  -4.899
  292    HA   ILE  42           HA       ILE  42  -1.812  10.763  -5.824
  293    HB   ILE  42           HB       ILE  42  -4.125   9.370  -4.492
  294   HG12  ILE  42          HG12      ILE  42  -2.347   8.870  -2.785
  295   HG13  ILE  42          HG11      ILE  42  -1.246   9.883  -3.709
  296   HG21  ILE  42          HG21      ILE  42  -2.814   7.294  -4.497
  297   HG22  ILE  42          HG22      ILE  42  -1.628   8.058  -5.556
  298   HG23  ILE  42          HG23      ILE  42  -3.276   7.793  -6.125
  299   HD11  ILE  42          HD11      ILE  42  -2.708  11.803  -3.319
  300   HD12  ILE  42          HD12      ILE  42  -2.147  11.079  -1.812
  301   HD13  ILE  42          HD13      ILE  42  -3.791  10.779  -2.378
  302    H    SER  43           H        SER  43  -1.338   9.999  -7.723
  303    HA   SER  43           HA       SER  43  -3.280   9.928  -9.815
  304    HB2  SER  43           HB2      SER  43  -0.398   9.004  -9.866
  305    HB3  SER  43           HB1      SER  43  -1.389   9.456 -11.253
  306    HG   SER  43           HG       SER  43  -0.893  11.462 -10.902
  307    H    LYS  44           H        LYS  44  -1.430   7.518  -8.006
  308    HA   LYS  44           HA       LYS  44  -3.363   5.488  -8.555
  309    HB2  LYS  44           HB2      LYS  44  -1.821   3.923  -9.694
  310    HB3  LYS  44           HB1      LYS  44  -2.170   5.348 -10.661
  311    HG2  LYS  44           HG2      LYS  44  -0.002   6.314  -9.918
  312    HG3  LYS  44           HG1      LYS  44   0.348   4.783  -9.108
  313    HD2  LYS  44           HD2      LYS  44   0.209   3.606 -11.233
  314    HD3  LYS  44           HD1      LYS  44  -0.207   5.109 -12.057
  315    HE2  LYS  44           HE2      LYS  44   1.975   6.046 -11.370
  316    HE3  LYS  44           HE1      LYS  44   2.386   4.491 -10.645
  317    HZ1  LYS  44           HZ1      LYS  44   3.338   4.700 -12.849
  318    HZ2  LYS  44           HZ2      LYS  44   1.810   4.972 -13.520
  319    HZ3  LYS  44           HZ3      LYS  44   2.178   3.471 -12.835
  320    H    TYR  45           H        TYR  45  -3.183   3.740  -7.188
  321    HA   TYR  45           HA       TYR  45  -1.096   3.913  -5.114
  322    HB2  TYR  45           HB2      TYR  45  -3.564   2.168  -5.047
  323    HB3  TYR  45           HB1      TYR  45  -2.529   2.621  -3.704
  324    HD1  TYR  45           HD1      TYR  45  -5.386   3.522  -5.724
  325    HD2  TYR  45           HD2      TYR  45  -2.661   4.938  -2.778
  326    HE1  TYR  45           HE1      TYR  45  -6.955   5.323  -5.150
  327    HE2  TYR  45           HE2      TYR  45  -4.224   6.751  -2.202
  328    HH   TYR  45           HH       TYR  45  -7.469   6.792  -3.310
  329    H    ILE  46           H        ILE  46   0.361   2.253  -4.912
  330    HA   ILE  46           HA       ILE  46   0.016  -0.027  -6.745
  331    HB   ILE  46           HB       ILE  46   2.513   1.314  -5.733
  332   HG12  ILE  46          HG12      ILE  46   3.103   1.136  -8.195
  333   HG13  ILE  46          HG11      ILE  46   1.454   0.590  -8.469
  334   HG21  ILE  46          HG21      ILE  46   2.355  -1.428  -6.973
  335   HG22  ILE  46          HG22      ILE  46   2.848  -1.051  -5.322
  336   HG23  ILE  46          HG23      ILE  46   3.839  -0.522  -6.679
  337   HD11  ILE  46          HD11      ILE  46   2.282   3.256  -7.345
  338   HD12  ILE  46          HD12      ILE  46   0.619   2.716  -7.588
  339   HD13  ILE  46          HD13      ILE  46   1.684   2.943  -8.975
  340    H    LEU  47           H        LEU  47  -0.534  -1.845  -5.824
  341    HA   LEU  47           HA       LEU  47   0.076  -2.276  -2.982
  342    HB2  LEU  47           HB2      LEU  47  -2.302  -2.495  -4.120
  343    HB3  LEU  47           HB1      LEU  47  -1.698  -4.053  -4.633
  344    HG   LEU  47           HG       LEU  47  -3.059  -4.330  -2.670
  345   HD11  LEU  47          HD11      LEU  47  -1.267  -5.871  -2.749
  346   HD12  LEU  47          HD12      LEU  47  -1.434  -5.337  -1.078
  347   HD13  LEU  47          HD13      LEU  47  -0.135  -4.693  -2.085
  348   HD21  LEU  47          HD21      LEU  47  -1.221  -2.351  -1.338
  349   HD22  LEU  47          HD22      LEU  47  -2.459  -3.304  -0.521
  350   HD23  LEU  47          HD23      LEU  47  -2.923  -2.116  -1.737
  351    H    ARG  48           H        ARG  48   1.851  -3.442  -2.604
  352    HA   ARG  48           HA       ARG  48   2.512  -5.595  -4.509
  353    HB2  ARG  48           HB2      ARG  48   4.405  -4.022  -2.753
  354    HB3  ARG  48           HB1      ARG  48   4.860  -5.374  -3.779
  355    HG2  ARG  48           HG2      ARG  48   4.018  -4.042  -5.731
  356    HG3  ARG  48           HG1      ARG  48   3.865  -2.673  -4.631
  357    HD2  ARG  48           HD2      ARG  48   6.392  -4.182  -5.282
  358    HD3  ARG  48           HD1      ARG  48   5.971  -2.555  -5.817
  359    HE   ARG  48           HE       ARG  48   5.871  -2.266  -3.181
  360   HH11  ARG  48          HH11      ARG  48   8.283  -3.791  -5.208
  361   HH12  ARG  48          HH12      ARG  48   9.599  -3.436  -4.138
  362   HH21  ARG  48          HH21      ARG  48   7.623  -1.791  -1.764
  363   HH22  ARG  48          HH22      ARG  48   9.224  -2.304  -2.184
  364    H    TRP  49           H        TRP  49   2.451  -7.608  -3.735
  365    HA   TRP  49           HA       TRP  49   2.712  -7.946  -0.835
  366    HB2  TRP  49           HB2      TRP  49   1.005  -9.703  -0.852
  367    HB3  TRP  49           HB1      TRP  49   0.350  -8.156  -1.362
  368    HD1  TRP  49           HD1      TRP  49   0.704 -11.722  -2.452
  369    HE1  TRP  49           HE1      TRP  49  -0.405 -12.039  -4.755
  370    HE3  TRP  49           HE3      TRP  49   0.017  -6.819  -3.694
  371    HZ2  TRP  49           HZ2      TRP  49  -1.433 -10.413  -6.818
  372    HZ3  TRP  49           HZ3      TRP  49  -1.039  -6.282  -5.847
  373    HH2  TRP  49           HH2      TRP  49  -1.748  -8.043  -7.377
  374    H    ARG  50           H        ARG  50   3.828  -9.626  -0.108
  375    HA   ARG  50           HA       ARG  50   4.944 -11.549  -2.019
  376    HB2  ARG  50           HB2      ARG  50   6.508  -9.601  -1.680
  377    HB3  ARG  50           HB1      ARG  50   6.586 -10.028   0.020
  378    HG2  ARG  50           HG2      ARG  50   7.311 -12.055  -2.044
  379    HG3  ARG  50           HG1      ARG  50   8.454 -10.784  -1.618
  380    HD2  ARG  50           HD2      ARG  50   7.190 -12.739   0.301
  381    HD3  ARG  50           HD1      ARG  50   8.836 -12.829  -0.326
  382    HE   ARG  50           HE       ARG  50   8.351 -10.333   0.948
  383   HH11  ARG  50          HH11      ARG  50   8.996 -13.708   1.611
  384   HH12  ARG  50          HH12      ARG  50   9.761 -13.395   3.138
  385   HH21  ARG  50          HH21      ARG  50   9.339  -9.919   2.990
  386   HH22  ARG  50          HH22      ARG  50   9.970 -11.249   3.909
  387    HA   PRO  51           HA       PRO  51   3.673 -14.285   1.285
  388    HB2  PRO  51           HB2      PRO  51   5.579 -16.186   0.097
  389    HB3  PRO  51           HB1      PRO  51   3.841 -16.348   0.339
  390    HG2  PRO  51           HG2      PRO  51   4.923 -15.988  -2.101
  391    HG3  PRO  51           HG1      PRO  51   3.334 -15.340  -1.662
  392    HD2  PRO  51           HD2      PRO  51   5.951 -13.935  -1.920
  393    HD3  PRO  51           HD1      PRO  51   4.315 -13.364  -2.307
  394    H    LYS  52           H        LYS  52   4.432 -14.070   3.248
  395    HA   LYS  52           HA       LYS  52   6.935 -12.988   3.849
  396    HB2  LYS  52           HB2      LYS  52   4.550 -13.401   5.139
  397    HB3  LYS  52           HB1      LYS  52   5.641 -14.456   6.023
  398    HG2  LYS  52           HG2      LYS  52   6.242 -11.566   5.518
  399    HG3  LYS  52           HG1      LYS  52   5.321 -12.129   6.914
  400    HD2  LYS  52           HD2      LYS  52   7.191 -13.429   7.681
  401    HD3  LYS  52           HD1      LYS  52   8.102 -13.062   6.214
  402    HE2  LYS  52           HE2      LYS  52   8.740 -11.712   8.232
  403    HE3  LYS  52           HE1      LYS  52   8.296 -10.772   6.810
  404    HZ1  LYS  52           HZ1      LYS  52   7.331  -9.950   8.924
  405    HZ2  LYS  52           HZ2      LYS  52   6.427 -11.371   9.030
  406    HZ3  LYS  52           HZ3      LYS  52   6.171 -10.302   7.740
  407    H    ASN  53           H        ASN  53   5.791 -16.320   4.006
  408    HA   ASN  53           HA       ASN  53   8.244 -17.211   5.276
  409    HB2  ASN  53           HB2      ASN  53   7.144 -19.435   5.275
  410    HB3  ASN  53           HB1      ASN  53   6.163 -18.189   6.040
  411   HD21  ASN  53          HD21      ASN  53   6.474 -20.343   3.353
  412   HD22  ASN  53          HD22      ASN  53   4.884 -20.107   2.716
  413    H    SER  54           H        SER  54   7.335 -16.596   2.146
  414    HA   SER  54           HA       SER  54   9.008 -18.763   1.073
  415    HB2  SER  54           HB2      SER  54   7.083 -17.060  -0.508
  416    HB3  SER  54           HB1      SER  54   7.819 -18.587  -0.983
  417    HG   SER  54           HG       SER  54   6.649 -19.411   0.989
  418    H    VAL  55           H        VAL  55  10.430 -18.246  -0.694
  419    HA   VAL  55           HA       VAL  55  11.665 -15.639  -0.385
  420    HB   VAL  55           HB       VAL  55  12.984 -17.758  -0.290
  421   HG11  VAL  55          HG11      VAL  55  12.363 -17.918  -3.231
  422   HG12  VAL  55          HG12      VAL  55  11.825 -19.038  -1.980
  423   HG13  VAL  55          HG13      VAL  55  13.539 -18.916  -2.374
  424   HG21  VAL  55          HG21      VAL  55  13.746 -15.833  -2.468
  425   HG22  VAL  55          HG22      VAL  55  14.840 -16.963  -1.672
  426   HG23  VAL  55          HG23      VAL  55  14.087 -15.665  -0.747
  427    H    GLY  56           H        GLY  56   9.105 -15.890  -1.723
  428    HA2  GLY  56           HA2      GLY  56   9.509 -15.666  -4.554
  429    HA3  GLY  56           HA1      GLY  56   8.013 -15.360  -3.685
  430    H    ARG  57           H        ARG  57   8.319 -13.672  -5.597
  431    HA   ARG  57           HA       ARG  57   9.806 -11.338  -4.637
  432    HB2  ARG  57           HB2      ARG  57   8.724 -12.134  -7.321
  433    HB3  ARG  57           HB1      ARG  57   9.121 -10.457  -6.985
  434    HG2  ARG  57           HG2      ARG  57  10.990 -11.429  -8.073
  435    HG3  ARG  57           HG1      ARG  57  11.427 -11.216  -6.378
  436    HD2  ARG  57           HD2      ARG  57  10.840 -13.594  -5.986
  437    HD3  ARG  57           HD1      ARG  57  10.560 -13.770  -7.716
  438    HE   ARG  57           HE       ARG  57  13.166 -12.749  -7.064
  439   HH11  ARG  57          HH11      ARG  57  11.228 -15.622  -7.525
  440   HH12  ARG  57          HH12      ARG  57  12.591 -16.650  -7.844
  441   HH21  ARG  57          HH21      ARG  57  14.969 -14.096  -7.496
  442   HH22  ARG  57          HH22      ARG  57  14.718 -15.780  -7.833
  443    H    TRP  58           H        TRP  58   8.723  -9.196  -5.108
  444    HA   TRP  58           HA       TRP  58   6.142  -9.195  -3.809
  445    HB2  TRP  58           HB2      TRP  58   7.820  -6.906  -4.874
  446    HB3  TRP  58           HB1      TRP  58   6.358  -6.729  -3.913
  447    HD1  TRP  58           HD1      TRP  58  10.022  -7.832  -3.607
  448    HE1  TRP  58           HE1      TRP  58  10.688  -7.765  -1.123
  449    HE3  TRP  58           HE3      TRP  58   5.442  -6.827  -1.565
  450    HZ2  TRP  58           HZ2      TRP  58   9.438  -7.339   1.369
  451    HZ3  TRP  58           HZ3      TRP  58   5.266  -6.604   0.879
  452    HH2  TRP  58           HH2      TRP  58   7.224  -6.855   2.313
  453    H    LYS  59           H        LYS  59   4.346  -9.499  -4.935
  454    HA   LYS  59           HA       LYS  59   4.265  -9.044  -7.783
  455    HB2  LYS  59           HB2      LYS  59   2.030  -9.808  -5.890
  456    HB3  LYS  59           HB1      LYS  59   1.982  -9.897  -7.643
  457    HG2  LYS  59           HG2      LYS  59   3.770 -11.570  -7.605
  458    HG3  LYS  59           HG1      LYS  59   3.788 -11.493  -5.844
  459    HD2  LYS  59           HD2      LYS  59   2.504 -13.390  -6.363
  460    HD3  LYS  59           HD1      LYS  59   1.330 -12.144  -5.945
  461    HE2  LYS  59           HE2      LYS  59   2.125 -12.562  -8.797
  462    HE3  LYS  59           HE1      LYS  59   0.960 -13.644  -8.043
  463    HZ1  LYS  59           HZ1      LYS  59   0.690 -10.696  -8.282
  464    HZ2  LYS  59           HZ2      LYS  59  -0.423 -11.726  -7.531
  465    HZ3  LYS  59           HZ3      LYS  59  -0.144 -11.851  -9.191
  466    H    GLU  60           H        GLU  60   3.129  -7.408  -8.851
  467    HA   GLU  60           HA       GLU  60   2.514  -5.121  -7.093
  468    HB2  GLU  60           HB2      GLU  60   3.528  -5.051  -9.937
  469    HB3  GLU  60           HB1      GLU  60   3.248  -3.663  -8.898
  470    HG2  GLU  60           HG2      GLU  60   5.005  -4.490  -7.378
  471    HG3  GLU  60           HG1      GLU  60   5.317  -5.809  -8.507
  472    H    ALA  61           H        ALA  61   0.653  -4.058  -7.309
  473    HA   ALA  61           HA       ALA  61  -0.989  -4.524  -9.705
  474    HB1  ALA  61           HB1      ALA  61  -1.911  -5.863  -7.882
  475    HB2  ALA  61           HB2      ALA  61  -3.002  -4.547  -8.317
  476    HB3  ALA  61           HB3      ALA  61  -2.007  -4.425  -6.866
  477    H    THR  62           H        THR  62  -1.759  -2.694 -10.609
  478    HA   THR  62           HA       THR  62  -1.241  -0.171  -9.209
  479    HB   THR  62           HB       THR  62  -1.933  -0.650 -12.116
  480    HG1  THR  62           HG1      THR  62   0.323  -1.100 -10.892
  481   HG21  THR  62          HG21      THR  62  -1.256   1.686 -12.437
  482   HG22  THR  62          HG22      THR  62  -1.015   1.856 -10.699
  483   HG23  THR  62          HG23      THR  62  -2.631   1.563 -11.340
  484    H    ILE  63           H        ILE  63  -2.872   0.734  -8.165
  485    HA   ILE  63           HA       ILE  63  -5.616   0.283  -9.150
  486    HB   ILE  63           HB       ILE  63  -4.739   1.155  -6.386
  487   HG12  ILE  63          HG12      ILE  63  -5.905  -1.125  -5.839
  488   HG13  ILE  63          HG11      ILE  63  -5.522  -1.509  -7.512
  489   HG21  ILE  63          HG21      ILE  63  -7.091   0.846  -5.765
  490   HG22  ILE  63          HG22      ILE  63  -7.479   0.485  -7.446
  491   HG23  ILE  63          HG23      ILE  63  -6.895   2.088  -7.002
  492   HD11  ILE  63          HD11      ILE  63  -3.152  -1.117  -7.046
  493   HD12  ILE  63          HD12      ILE  63  -3.832  -2.372  -6.009
  494   HD13  ILE  63          HD13      ILE  63  -3.550  -0.753  -5.367
  495    HA   PRO  64           HA       PRO  64  -5.428   4.576 -10.597
  496    HB2  PRO  64           HB2      PRO  64  -8.358   3.980 -10.456
  497    HB3  PRO  64           HB1      PRO  64  -7.442   4.796 -11.728
  498    HG2  PRO  64           HG2      PRO  64  -8.193   2.269 -12.040
  499    HG3  PRO  64           HG1      PRO  64  -6.588   2.801 -12.572
  500    HD2  PRO  64           HD2      PRO  64  -7.356   1.178 -10.199
  501    HD3  PRO  64           HD1      PRO  64  -5.885   1.108 -11.189
  502    H    GLY  65           H        GLY  65  -5.694   6.503  -9.556
  503    HA2  GLY  65           HA2      GLY  65  -5.955   6.300  -6.714
  504    HA3  GLY  65           HA1      GLY  65  -5.553   7.742  -7.624
  505    H    HIS  66           H        HIS  66  -8.450   5.657  -7.549
  506    HA   HIS  66           HA       HIS  66  -9.948   7.592  -6.066
  507    HB2  HIS  66           HB2      HIS  66 -11.550   8.259  -7.710
  508    HB3  HIS  66           HB1      HIS  66  -9.959   8.585  -8.378
  509    HD1  HIS  66           HD1      HIS  66 -13.010   7.630  -9.583
  510    HD2  HIS  66           HD2      HIS  66  -9.263   5.861  -9.902
  511    HE1  HIS  66           HE1      HIS  66 -13.120   6.174 -11.629
  512    HE2  HIS  66           HE2      HIS  66 -10.846   5.104 -11.802
  513    H    LEU  67           H        LEU  67  -9.214   4.623  -6.417
  514    HA   LEU  67           HA       LEU  67 -11.945   3.536  -6.360
  515    HB2  LEU  67           HB2      LEU  67  -9.363   2.009  -6.677
  516    HB3  LEU  67           HB1      LEU  67 -10.986   1.369  -6.835
  517    HG   LEU  67           HG       LEU  67  -9.602   3.294  -8.698
  518   HD11  LEU  67          HD11      LEU  67 -10.650   0.505  -9.126
  519   HD12  LEU  67          HD12      LEU  67  -8.958   0.944  -8.911
  520   HD13  LEU  67          HD13      LEU  67  -9.844   1.518 -10.322
  521   HD21  LEU  67          HD21      LEU  67 -12.450   2.307  -8.741
  522   HD22  LEU  67          HD22      LEU  67 -11.653   3.168 -10.057
  523   HD23  LEU  67          HD23      LEU  67 -11.909   3.970  -8.510
  524    H    ASN  68           H        ASN  68  -8.793   3.108  -4.806
  525    HA   ASN  68           HA       ASN  68  -8.159   2.988  -2.637
  526    HB2  ASN  68           HB2      ASN  68 -11.035   3.747  -2.115
  527    HB3  ASN  68           HB1      ASN  68  -9.833   3.558  -0.843
  528   HD21  ASN  68          HD21      ASN  68 -10.172   5.743  -0.280
  529   HD22  ASN  68          HD22      ASN  68  -9.493   7.025  -1.219
  530    H    SER  69           H        SER  69  -9.657   0.751  -4.174
  531    HA   SER  69           HA       SER  69  -9.473  -1.151  -1.990
  532    HB2  SER  69           HB2      SER  69 -11.661  -2.201  -2.660
  533    HB3  SER  69           HB1      SER  69 -11.822  -0.616  -1.904
  534    HG   SER  69           HG       SER  69 -12.593   0.167  -3.700
  535    H    TYR  70           H        TYR  70  -8.783  -3.147  -2.649
  536    HA   TYR  70           HA       TYR  70  -8.826  -3.787  -5.497
  537    HB2  TYR  70           HB2      TYR  70  -6.659  -2.720  -5.177
  538    HB3  TYR  70           HB1      TYR  70  -6.310  -3.770  -3.812
  539    HD1  TYR  70           HD1      TYR  70  -7.199  -4.015  -7.438
  540    HD2  TYR  70           HD2      TYR  70  -4.983  -5.615  -4.184
  541    HE1  TYR  70           HE1      TYR  70  -6.148  -5.635  -8.959
  542    HE2  TYR  70           HE2      TYR  70  -3.922  -7.241  -5.696
  543    HH   TYR  70           HH       TYR  70  -4.036  -6.981  -9.045
  544    H    THR  71           H        THR  71  -9.247  -5.878  -5.869
  545    HA   THR  71           HA       THR  71  -9.419  -7.681  -3.586
  546    HB   THR  71           HB       THR  71 -10.250  -8.159  -6.460
  547    HG1  THR  71           HG1      THR  71 -12.148  -7.825  -4.443
  548   HG21  THR  71          HG21      THR  71 -10.906  -9.657  -3.918
  549   HG22  THR  71          HG22      THR  71  -9.841 -10.222  -5.207
  550   HG23  THR  71          HG23      THR  71 -11.564 -10.007  -5.516
  551    H    ILE  72           H        ILE  72  -7.376  -8.375  -3.111
  552    HA   ILE  72           HA       ILE  72  -5.516  -9.178  -5.152
  553    HB   ILE  72           HB       ILE  72  -5.386  -9.871  -2.214
  554   HG12  ILE  72          HG12      ILE  72  -4.256  -7.454  -3.642
  555   HG13  ILE  72          HG11      ILE  72  -5.572  -7.436  -2.472
  556   HG21  ILE  72          HG21      ILE  72  -2.979 -10.052  -2.643
  557   HG22  ILE  72          HG22      ILE  72  -3.265  -9.697  -4.347
  558   HG23  ILE  72          HG23      ILE  72  -3.911 -11.174  -3.634
  559   HD11  ILE  72          HD11      ILE  72  -3.934  -8.398  -0.816
  560   HD12  ILE  72          HD12      ILE  72  -3.646  -6.730  -1.320
  561   HD13  ILE  72          HD13      ILE  72  -2.674  -8.042  -1.997
  562    H    LYS  73           H        LYS  73  -5.536 -11.063  -6.185
  563    HA   LYS  73           HA       LYS  73  -7.085 -13.263  -4.996
  564    HB2  LYS  73           HB2      LYS  73  -6.571 -12.634  -7.908
  565    HB3  LYS  73           HB1      LYS  73  -7.451 -14.038  -7.319
  566    HG2  LYS  73           HG2      LYS  73  -9.129 -12.558  -6.320
  567    HG3  LYS  73           HG1      LYS  73  -8.252 -11.159  -6.942
  568    HD2  LYS  73           HD2      LYS  73  -8.614 -11.919  -9.222
  569    HD3  LYS  73           HD1      LYS  73  -9.428 -13.366  -8.627
  570    HE2  LYS  73           HE2      LYS  73 -11.144 -11.941  -7.586
  571    HE3  LYS  73           HE1      LYS  73 -10.346 -10.520  -8.255
  572    HZ1  LYS  73           HZ1      LYS  73 -11.484 -12.746  -9.860
  573    HZ2  LYS  73           HZ2      LYS  73 -10.790 -11.328 -10.467
  574    HZ3  LYS  73           HZ3      LYS  73 -12.236 -11.254  -9.598
  575    H    GLY  74           H        GLY  74  -6.262 -15.330  -5.030
  576    HA2  GLY  74           HA2      GLY  74  -4.647 -16.974  -5.665
  577    HA3  GLY  74           HA1      GLY  74  -3.522 -15.675  -6.039
  578    H    LEU  75           H        LEU  75  -5.156 -15.058  -3.183
  579    HA   LEU  75           HA       LEU  75  -2.757 -15.471  -1.644
  580    HB2  LEU  75           HB2      LEU  75  -5.487 -14.467  -0.844
  581    HB3  LEU  75           HB1      LEU  75  -4.095 -14.516   0.220
  582    HG   LEU  75           HG       LEU  75  -4.399 -12.822  -2.266
  583   HD11  LEU  75          HD11      LEU  75  -5.657 -11.997  -0.392
  584   HD12  LEU  75          HD12      LEU  75  -4.246 -10.974  -0.663
  585   HD13  LEU  75          HD13      LEU  75  -4.249 -12.142   0.658
  586   HD21  LEU  75          HD21      LEU  75  -2.057 -13.098  -0.385
  587   HD22  LEU  75          HD22      LEU  75  -2.222 -11.868  -1.636
  588   HD23  LEU  75          HD23      LEU  75  -2.101 -13.568  -2.085
  589    H    LYS  76           H        LYS  76  -2.271 -17.186  -0.480
  590    HA   LYS  76           HA       LYS  76  -4.220 -19.341  -0.279
  591    HB2  LYS  76           HB2      LYS  76  -1.271 -19.269   0.392
  592    HB3  LYS  76           HB1      LYS  76  -2.286 -20.706   0.387
  593    HG2  LYS  76           HG2      LYS  76  -2.623 -20.525  -1.984
  594    HG3  LYS  76           HG1      LYS  76  -1.762 -18.987  -2.027
  595    HD2  LYS  76           HD2      LYS  76  -0.325 -20.785  -2.807
  596    HD3  LYS  76           HD1      LYS  76   0.286 -20.124  -1.290
  597    HE2  LYS  76           HE2      LYS  76   0.406 -22.562  -1.312
  598    HE3  LYS  76           HE1      LYS  76  -0.703 -21.987  -0.068
  599    HZ1  LYS  76           HZ1      LYS  76  -1.497 -23.016  -2.739
  600    HZ2  LYS  76           HZ2      LYS  76  -2.552 -22.497  -1.526
  601    HZ3  LYS  76           HZ3      LYS  76  -1.605 -23.871  -1.285
  602    HA   PRO  77           HA       PRO  77  -5.129 -18.256   3.998
  603    HB2  PRO  77           HB2      PRO  77  -6.305 -20.971   3.975
  604    HB3  PRO  77           HB1      PRO  77  -7.049 -19.427   4.403
  605    HG2  PRO  77           HG2      PRO  77  -7.651 -20.666   2.111
  606    HG3  PRO  77           HG1      PRO  77  -7.538 -18.900   2.208
  607    HD2  PRO  77           HD2      PRO  77  -5.582 -20.866   1.090
  608    HD3  PRO  77           HD1      PRO  77  -6.034 -19.255   0.494
  609    H    GLY  78           H        GLY  78  -3.723 -18.492   5.611
  610    HA2  GLY  78           HA2      GLY  78  -2.626 -19.902   7.238
  611    HA3  GLY  78           HA1      GLY  78  -2.419 -21.112   5.980
  612    H    VAL  79           H        VAL  79  -1.716 -18.882   4.097
  613    HA   VAL  79           HA       VAL  79   1.107 -18.662   4.851
  614    HB   VAL  79           HB       VAL  79  -0.275 -18.159   2.200
  615   HG11  VAL  79          HG11      VAL  79   1.682 -16.744   2.411
  616   HG12  VAL  79          HG12      VAL  79   1.987 -18.045   1.258
  617   HG13  VAL  79          HG13      VAL  79   2.658 -18.135   2.887
  618   HG21  VAL  79          HG21      VAL  79  -0.222 -20.517   2.775
  619   HG22  VAL  79          HG22      VAL  79   1.511 -20.414   3.093
  620   HG23  VAL  79          HG23      VAL  79   0.900 -20.174   1.456
  621    H    VAL  80           H        VAL  80   1.717 -16.800   5.789
  622    HA   VAL  80           HA       VAL  80  -0.015 -14.502   5.668
  623    HB   VAL  80           HB       VAL  80   1.608 -13.415   7.186
  624   HG11  VAL  80          HG11      VAL  80   0.774 -16.193   8.006
  625   HG12  VAL  80          HG12      VAL  80  -0.204 -14.729   8.113
  626   HG13  VAL  80          HG13      VAL  80   1.243 -14.897   9.107
  627   HG21  VAL  80          HG21      VAL  80   3.710 -14.274   6.591
  628   HG22  VAL  80          HG22      VAL  80   3.167 -15.944   6.747
  629   HG23  VAL  80          HG23      VAL  80   3.381 -14.949   8.187
  630    H    TYR  81           H        TYR  81   0.241 -12.701   4.502
  631    HA   TYR  81           HA       TYR  81   2.549 -12.625   2.664
  632    HB2  TYR  81           HB2      TYR  81  -0.278 -11.630   2.259
  633    HB3  TYR  81           HB1      TYR  81   1.046 -11.315   1.147
  634    HD1  TYR  81           HD1      TYR  81   1.855 -13.032  -0.338
  635    HD2  TYR  81           HD2      TYR  81  -1.227 -13.876   2.468
  636    HE1  TYR  81           HE1      TYR  81   1.346 -15.120  -1.531
  637    HE2  TYR  81           HE2      TYR  81  -1.737 -15.970   1.286
  638    HH   TYR  81           HH       TYR  81   0.311 -17.252  -1.147
  639    H    GLU  82           H        GLU  82   3.502 -10.637   2.221
  640    HA   GLU  82           HA       GLU  82   3.036  -8.555   4.243
  641    HB2  GLU  82           HB2      GLU  82   5.339  -9.062   2.342
  642    HB3  GLU  82           HB1      GLU  82   5.247  -7.690   3.436
  643    HG2  GLU  82           HG2      GLU  82   4.984 -10.407   4.584
  644    HG3  GLU  82           HG1      GLU  82   6.578  -9.885   4.038
  645    H    GLY  83           H        GLY  83   2.036  -6.718   3.653
  646    HA2  GLY  83           HA2      GLY  83   1.686  -6.249   0.758
  647    HA3  GLY  83           HA1      GLY  83   0.470  -5.871   1.968
  648    H    GLN  84           H        GLN  84   2.471  -4.452  -0.056
  649    HA   GLN  84           HA       GLN  84   3.029  -2.194   1.767
  650    HB2  GLN  84           HB2      GLN  84   4.363  -2.735  -0.892
  651    HB3  GLN  84           HB1      GLN  84   4.829  -1.540   0.308
  652    HG2  GLN  84           HG2      GLN  84   4.938  -4.508   0.757
  653    HG3  GLN  84           HG1      GLN  84   6.296  -3.542   0.191
  654   HE21  GLN  84          HE21      GLN  84   4.267  -4.332   2.891
  655   HE22  GLN  84          HE22      GLN  84   5.250  -3.590   4.099
  656    H    LEU  85           H        LEU  85   1.506  -0.650   1.506
  657    HA   LEU  85           HA       LEU  85   0.306  -0.279  -1.137
  658    HB2  LEU  85           HB2      LEU  85  -1.126  -0.397   0.931
  659    HB3  LEU  85           HB1      LEU  85  -0.402   1.106   1.455
  660    HG   LEU  85           HG       LEU  85  -2.711   1.236   0.385
  661   HD11  LEU  85          HD11      LEU  85  -0.536   2.904  -0.864
  662   HD12  LEU  85          HD12      LEU  85  -1.280   3.201   0.708
  663   HD13  LEU  85          HD13      LEU  85  -2.248   3.315  -0.762
  664   HD21  LEU  85          HD21      LEU  85  -2.830   1.240  -2.027
  665   HD22  LEU  85          HD22      LEU  85  -2.246  -0.321  -1.457
  666   HD23  LEU  85          HD23      LEU  85  -1.116   0.846  -2.140
  667    H    ILE  86           H        ILE  86   1.318   1.021  -2.461
  668    HA   ILE  86           HA       ILE  86   2.892   3.259  -1.361
  669    HB   ILE  86           HB       ILE  86   3.191   2.051  -4.106
  670   HG12  ILE  86          HG12      ILE  86   4.952   1.375  -1.762
  671   HG13  ILE  86          HG11      ILE  86   3.522   0.419  -2.133
  672   HG21  ILE  86          HG21      ILE  86   5.406   3.077  -4.012
  673   HG22  ILE  86          HG22      ILE  86   5.062   3.683  -2.392
  674   HG23  ILE  86          HG23      ILE  86   4.139   4.281  -3.773
  675   HD11  ILE  86          HD11      ILE  86   5.742   0.925  -4.090
  676   HD12  ILE  86          HD12      ILE  86   4.405  -0.218  -4.243
  677   HD13  ILE  86          HD13      ILE  86   5.658  -0.481  -3.031
  678    H    SER  87           H        SER  87   1.860   5.156  -1.566
  679    HA   SER  87           HA       SER  87  -0.055   5.507  -3.753
  680    HB2  SER  87           HB2      SER  87   0.509   7.287  -1.377
  681    HB3  SER  87           HB1      SER  87  -0.820   7.470  -2.519
  682    HG   SER  87           HG       SER  87  -0.611   4.986  -1.340
  683    H    ILE  88           H        ILE  88   0.402   6.655  -5.508
  684    HA   ILE  88           HA       ILE  88   2.914   8.189  -5.559
  685    HB   ILE  88           HB       ILE  88   1.307   7.152  -7.900
  686   HG12  ILE  88          HG12      ILE  88   2.186   5.287  -6.569
  687   HG13  ILE  88          HG11      ILE  88   3.017   5.404  -8.115
  688   HG21  ILE  88          HG21      ILE  88   3.313   7.628  -9.209
  689   HG22  ILE  88          HG22      ILE  88   4.110   8.259  -7.768
  690   HG23  ILE  88          HG23      ILE  88   2.699   9.085  -8.427
  691   HD11  ILE  88          HD11      ILE  88   4.566   4.901  -6.328
  692   HD12  ILE  88          HD12      ILE  88   4.067   6.354  -5.461
  693   HD13  ILE  88          HD13      ILE  88   4.901   6.493  -7.009
  694    H    GLN  89           H        GLN  89   2.740  10.344  -5.542
  695    HA   GLN  89           HA       GLN  89   0.237  11.604  -6.399
  696    HB2  GLN  89           HB2      GLN  89   2.673  12.735  -5.013
  697    HB3  GLN  89           HB1      GLN  89   1.277  13.689  -5.487
  698    HG2  GLN  89           HG2      GLN  89  -0.133  12.406  -3.988
  699    HG3  GLN  89           HG1      GLN  89   1.245  11.397  -3.540
  700   HE21  GLN  89          HE21      GLN  89   1.104  11.983  -1.382
  701   HE22  GLN  89          HE22      GLN  89   1.576  13.551  -0.814
  702    H    GLN  90           H        GLN  90   0.520  13.724  -7.644
  703    HA   GLN  90           HA       GLN  90   1.909  13.291 -10.068
  704    HB2  GLN  90           HB2      GLN  90   0.956  15.942  -8.976
  705    HB3  GLN  90           HB1      GLN  90   1.296  15.561 -10.657
  706    HG2  GLN  90           HG2      GLN  90  -0.563  13.912 -10.588
  707    HG3  GLN  90           HG1      GLN  90  -0.945  14.490  -8.964
  708   HE21  GLN  90          HE21      GLN  90  -1.674  16.641  -8.706
  709   HE22  GLN  90          HE22      GLN  90  -2.396  17.503 -10.025
  710    H    TYR  91           H        TYR  91   2.848  14.579  -7.044
  711    HA   TYR  91           HA       TYR  91   5.043  16.182  -7.914
  712    HB2  TYR  91           HB2      TYR  91   4.400  14.960  -5.223
  713    HB3  TYR  91           HB1      TYR  91   5.716  16.091  -5.508
  714    HD1  TYR  91           HD1      TYR  91   2.018  15.752  -5.655
  715    HD2  TYR  91           HD2      TYR  91   5.337  18.400  -5.448
  716    HE1  TYR  91           HE1      TYR  91   0.489  17.625  -5.217
  717    HE2  TYR  91           HE2      TYR  91   3.818  20.281  -5.009
  718    HH   TYR  91           HH       TYR  91   1.469  20.876  -5.366
  719    H    GLY  92           H        GLY  92   4.572  12.863  -7.837
  720    HA2  GLY  92           HA2      GLY  92   6.070  11.147  -8.264
  721    HA3  GLY  92           HA1      GLY  92   7.386  12.311  -8.176
  722    H    HIS  93           H        HIS  93   5.401  12.646  -5.536
  723    HA   HIS  93           HA       HIS  93   7.361  11.507  -3.765
  724    HB2  HIS  93           HB2      HIS  93   6.208  13.639  -3.233
  725    HB3  HIS  93           HB1      HIS  93   4.676  12.776  -3.138
  726    HD1  HIS  93           HD1      HIS  93   7.946  13.171  -1.305
  727    HD2  HIS  93           HD2      HIS  93   4.186  11.498  -0.742
  728    HE1  HIS  93           HE1      HIS  93   7.847  12.540   1.124
  729    HE2  HIS  93           HE2      HIS  93   5.644  11.336   1.391
  730    H    GLN  94           H        GLN  94   7.319   9.543  -2.922
  731    HA   GLN  94           HA       GLN  94   4.926   7.896  -3.361
  732    HB2  GLN  94           HB2      GLN  94   7.786   7.016  -2.922
  733    HB3  GLN  94           HB1      GLN  94   6.424   5.970  -3.301
  734    HG2  GLN  94           HG2      GLN  94   6.195   7.083  -5.475
  735    HG3  GLN  94           HG1      GLN  94   7.593   8.087  -5.094
  736   HE21  GLN  94          HE21      GLN  94   7.176   6.169  -7.263
  737   HE22  GLN  94          HE22      GLN  94   8.452   5.010  -7.122
  738    H    GLU  95           H        GLU  95   3.825   7.214  -1.650
  739    HA   GLU  95           HA       GLU  95   5.175   7.175   0.971
  740    HB2  GLU  95           HB2      GLU  95   2.317   7.730   0.224
  741    HB3  GLU  95           HB1      GLU  95   2.756   7.224   1.848
  742    HG2  GLU  95           HG2      GLU  95   3.839   9.652   0.443
  743    HG3  GLU  95           HG1      GLU  95   2.522   9.659   1.613
  744    H    VAL  96           H        VAL  96   5.315   5.268   1.996
  745    HA   VAL  96           HA       VAL  96   3.890   2.995   0.777
  746    HB   VAL  96           HB       VAL  96   6.635   2.902   2.033
  747   HG11  VAL  96          HG11      VAL  96   5.390   0.808   2.179
  748   HG12  VAL  96          HG12      VAL  96   6.750   0.663   1.068
  749   HG13  VAL  96          HG13      VAL  96   5.113   0.844   0.437
  750   HG21  VAL  96          HG21      VAL  96   6.760   4.191  -0.003
  751   HG22  VAL  96          HG22      VAL  96   5.854   2.960  -0.881
  752   HG23  VAL  96          HG23      VAL  96   7.472   2.601  -0.275
  753    H    THR  97           H        THR  97   2.316   2.498   2.172
  754    HA   THR  97           HA       THR  97   2.862   2.491   5.037
  755    HB   THR  97           HB       THR  97   0.279   1.774   3.631
  756    HG1  THR  97           HG1      THR  97  -0.181   4.050   4.507
  757   HG21  THR  97          HG21      THR  97  -0.723   2.326   5.813
  758   HG22  THR  97          HG22      THR  97   0.889   2.592   6.475
  759   HG23  THR  97          HG23      THR  97   0.412   0.983   5.931
  760    H    ARG  98           H        ARG  98   3.803   0.737   5.846
  761    HA   ARG  98           HA       ARG  98   3.673  -1.780   4.412
  762    HB2  ARG  98           HB2      ARG  98   5.176  -1.093   6.943
  763    HB3  ARG  98           HB1      ARG  98   5.386  -2.542   5.969
  764    HG2  ARG  98           HG2      ARG  98   6.088  -1.057   4.078
  765    HG3  ARG  98           HG1      ARG  98   6.077   0.286   5.221
  766    HD2  ARG  98           HD2      ARG  98   7.777  -2.200   5.349
  767    HD3  ARG  98           HD1      ARG  98   8.321  -0.559   5.015
  768    HE   ARG  98           HE       ARG  98   7.146  -0.375   7.465
  769   HH11  ARG  98          HH11      ARG  98   9.682  -2.372   6.107
  770   HH12  ARG  98          HH12      ARG  98  10.508  -2.575   7.621
  771   HH21  ARG  98          HH21      ARG  98   8.247  -0.629   9.458
  772   HH22  ARG  98          HH22      ARG  98   9.700  -1.579   9.523
  773    H    PHE  99           H        PHE  99   2.505  -3.481   4.950
  774    HA   PHE  99           HA       PHE  99   1.699  -4.006   7.664
  775    HB2  PHE  99           HB2      PHE  99  -0.709  -4.106   7.203
  776    HB3  PHE  99           HB1      PHE  99  -0.103  -2.480   6.929
  777    HD1  PHE  99           HD1      PHE  99   0.328  -1.745   4.549
  778    HD2  PHE  99           HD2      PHE  99  -1.838  -5.278   5.521
  779    HE1  PHE  99           HE1      PHE  99  -0.660  -1.755   2.300
  780    HE2  PHE  99           HE2      PHE  99  -2.828  -5.293   3.268
  781    HZ   PHE  99           HZ       PHE  99  -2.238  -3.531   1.656
  782    H    ASP 100           H        ASP 100   0.109  -6.085   7.469
  783    HA   ASP 100           HA       ASP 100   0.769  -7.709   5.161
  784    HB2  ASP 100           HB2      ASP 100   1.643  -9.584   6.442
  785    HB3  ASP 100           HB1      ASP 100   2.636  -8.159   6.716
  786    H    PHE 101           H        PHE 101  -0.413  -9.914   5.379
  787    HA   PHE 101           HA       PHE 101  -2.876  -9.696   6.873
  788    HB2  PHE 101           HB2      PHE 101  -4.270  -9.794   4.756
  789    HB3  PHE 101           HB1      PHE 101  -3.521  -8.248   5.138
  790    HD1  PHE 101           HD1      PHE 101  -1.972  -7.240   3.677
  791    HD2  PHE 101           HD2      PHE 101  -3.304 -11.214   2.952
  792    HE1  PHE 101           HE1      PHE 101  -0.957  -7.169   1.437
  793    HE2  PHE 101           HE2      PHE 101  -2.287 -11.149   0.716
  794    HZ   PHE 101           HZ       PHE 101  -1.112  -9.126  -0.043
  795    H    THR 102           H        THR 102  -4.496 -11.429   5.889
  796    HA   THR 102           HA       THR 102  -4.982 -13.636   5.937
  797    HB   THR 102           HB       THR 102  -2.298 -14.118   4.624
  798    HG1  THR 102           HG1      THR 102  -3.117 -13.271   2.866
  799   HG21  THR 102          HG21      THR 102  -3.458 -16.129   5.435
  800   HG22  THR 102          HG22      THR 102  -3.423 -16.079   3.672
  801   HG23  THR 102          HG23      THR 102  -4.901 -15.657   4.536
  802    H    THR 103           H        THR 103  -4.868 -13.560   8.205
  803    HA   THR 103           HA       THR 103  -4.178 -14.138  10.292
  804    HB   THR 103           HB       THR 103  -1.813 -15.600   9.108
  805    HG1  THR 103           HG1      THR 103  -3.740 -16.267   8.030
  806   HG21  THR 103          HG21      THR 103  -2.159 -17.077  11.049
  807   HG22  THR 103          HG22      THR 103  -3.500 -16.061  11.574
  808   HG23  THR 103          HG23      THR 103  -1.862 -15.412  11.540
  809    H    THR 104           H        THR 104  -3.711 -11.718   9.718
  810    HA   THR 104           HA       THR 104  -1.253 -10.631   9.226
  811    HB   THR 104           HB       THR 104  -3.433  -9.536  11.006
  812    HG1  THR 104           HG1      THR 104  -2.938  -8.689   8.372
  813   HG21  THR 104          HG21      THR 104  -1.147  -8.100   9.651
  814   HG22  THR 104          HG22      THR 104  -1.327  -8.352  11.386
  815   HG23  THR 104          HG23      THR 104  -2.475  -7.332  10.520
  816    H    SER 105           H        SER 105   0.557 -10.305  10.248
  817    HA   SER 105           HA       SER 105   0.774 -11.220  13.037
  818    HB2  SER 105           HB2      SER 105   3.226 -11.567  12.357
  819    HB3  SER 105           HB1      SER 105   2.041 -12.680  11.677
  820    HG   SER 105           HG       SER 105   2.015 -11.052   9.850
  821    H    THR 106           H        THR 106   2.616  -9.129  10.814
  822    HA   THR 106           HA       THR 106   3.548  -7.084  11.024
  823    HB   THR 106           HB       THR 106   1.449  -6.592  13.143
  824    HG1  THR 106           HG1      THR 106   1.276  -7.032  10.454
  825   HG21  THR 106          HG21      THR 106   2.969  -4.699  11.339
  826   HG22  THR 106          HG22      THR 106   3.201  -4.879  13.078
  827   HG23  THR 106          HG23      THR 106   1.679  -4.243  12.453
  828    H    SER 107           H        SER 107   5.543  -7.167  11.760
  829    HA   SER 107           HA       SER 107   6.170  -8.172  14.366
  830    HB2  SER 107           HB2      SER 107   8.013  -6.949  12.304
  831    HB3  SER 107           HB1      SER 107   8.482  -7.968  13.665
  832    HG   SER 107           HG       SER 107   8.147  -8.911  11.408
  833    H    THR 108           H        THR 108   4.816  -6.280  15.301
  834    HA   THR 108           HA       THR 108   6.777  -4.261  16.115
  835    HB   THR 108           HB       THR 108   4.626  -2.775  16.505
  836    HG1  THR 108           HG1      THR 108   3.039  -3.136  15.000
  837   HG21  THR 108          HG21      THR 108   5.969  -3.139  13.825
  838   HG22  THR 108          HG22      THR 108   6.548  -2.135  15.156
  839   HG23  THR 108          HG23      THR 108   5.050  -1.718  14.325
  840    HA   PRO 109           HA       PRO 109   3.772  -5.098  19.914
  841    HB2  PRO 109           HB2      PRO 109   2.824  -7.802  19.132
  842    HB3  PRO 109           HB1      PRO 109   1.965  -6.508  19.974
  843    HG2  PRO 109           HG2      PRO 109   1.426  -7.065  17.427
  844    HG3  PRO 109           HG1      PRO 109   1.453  -5.390  18.010
  845    HD2  PRO 109           HD2      PRO 109   3.504  -6.880  16.428
  846    HD3  PRO 109           HD1      PRO 109   2.971  -5.194  16.278
  847    H    GLY 110           H        GLY 110   5.218  -5.581  21.432
  848    HA2  GLY 110           HA2      GLY 110   6.115  -7.709  22.556
  849    HA3  GLY 110           HA1      GLY 110   6.949  -7.928  21.024
  850    H    SER 111           H        SER 111   8.998  -7.799  21.907
  851    HA   SER 111           HA       SER 111   9.757  -5.583  23.567
  852    HB2  SER 111           HB2      SER 111  10.751  -7.886  23.738
  853    HB3  SER 111           HB1      SER 111  11.550  -7.599  22.195
  854    HG   SER 111           HG       SER 111  12.069  -5.526  23.759
  855    H    ARG 112           H        ARG 112  11.070  -6.697  20.435
  856    HA   ARG 112           HA       ARG 112  11.957  -5.583  18.663
  857    HB2  ARG 112           HB2      ARG 112   9.939  -3.491  19.484
  858    HB3  ARG 112           HB1      ARG 112  10.813  -3.494  17.963
  859    HG2  ARG 112           HG2      ARG 112   8.945  -5.680  18.852
  860    HG3  ARG 112           HG1      ARG 112   8.489  -4.336  17.806
  861    HD2  ARG 112           HD2      ARG 112   8.945  -6.089  16.332
  862    HD3  ARG 112           HD1      ARG 112  10.400  -5.098  16.294
  863    HE   ARG 112           HE       ARG 112  10.657  -7.140  18.231
  864   HH11  ARG 112          HH11      ARG 112  10.668  -6.628  14.772
  865   HH12  ARG 112          HH12      ARG 112  11.644  -8.020  14.436
  866   HH21  ARG 112          HH21      ARG 112  11.963  -8.972  17.799
  867   HH22  ARG 112          HH22      ARG 112  12.374  -9.359  16.159
  868    H    SER 113           H        SER 113  13.758  -5.476  20.459
  869    HA   SER 113           HA       SER 113  14.402  -2.807  21.335
  870    HB2  SER 113           HB2      SER 113  15.982  -5.381  21.472
  871    HB3  SER 113           HB1      SER 113  16.453  -3.862  22.236
  872    HG   SER 113           HG       SER 113  13.907  -4.514  22.868
  873    H    HIS 114           H        HIS 114  15.299  -1.348  20.071
  874    HA   HIS 114           HA       HIS 114  16.823  -2.222  17.735
  875    HB2  HIS 114           HB2      HIS 114  15.646   0.466  18.461
  876    HB3  HIS 114           HB1      HIS 114  16.651   0.190  17.044
  877    HD1  HIS 114           HD1      HIS 114  15.531  -0.762  14.994
  878    HD2  HIS 114           HD2      HIS 114  13.093  -0.858  18.361
  879    HE1  HIS 114           HE1      HIS 114  13.251  -1.414  14.162
  880    HE2  HIS 114           HE2      HIS 114  11.765  -1.299  16.190
  881    H    HIS 115           H        HIS 115  18.807  -2.702  18.432
  882    HA   HIS 115           HA       HIS 115  20.973  -2.382  19.009
  883    HB2  HIS 115           HB2      HIS 115  20.245   0.544  18.801
  884    HB3  HIS 115           HB1      HIS 115  21.886  -0.068  18.970
  885    HD1  HIS 115           HD1      HIS 115  19.385   0.786  16.480
  886    HD2  HIS 115           HD2      HIS 115  22.685  -1.731  16.688
  887    HE1  HIS 115           HE1      HIS 115  19.958   0.223  14.096
  888    HE2  HIS 115           HE2      HIS 115  21.999  -1.245  14.246
  889    H    HIS 116           H        HIS 116  19.741  -3.226  21.047
  890    HA   HIS 116           HA       HIS 116  19.943  -3.487  23.282
  891    HB2  HIS 116           HB2      HIS 116  21.873  -1.203  22.962
  892    HB3  HIS 116           HB1      HIS 116  21.470  -1.849  24.546
  893    HD1  HIS 116           HD1      HIS 116  23.500  -3.111  25.210
  894    HD2  HIS 116           HD2      HIS 116  22.358  -3.929  21.299
  895    HE1  HIS 116           HE1      HIS 116  25.050  -4.924  24.419
  896    HE2  HIS 116           HE2      HIS 116  24.195  -5.546  22.135
  897    H    HIS 117           H        HIS 117  18.032  -3.193  24.133
  898    HA   HIS 117           HA       HIS 117  17.373  -0.580  25.227
  899    HB2  HIS 117           HB2      HIS 117  16.258  -0.581  23.037
  900    HB3  HIS 117           HB1      HIS 117  15.478  -2.110  23.427
  901    HD1  HIS 117           HD1      HIS 117  13.374  -2.027  24.853
  902    HD2  HIS 117           HD2      HIS 117  15.215   1.675  24.430
  903    HE1  HIS 117           HE1      HIS 117  11.735  -0.354  25.753
  904    HE2  HIS 117           HE2      HIS 117  12.799   1.887  25.336
  905    H    HIS 118           H        HIS 118  16.249  -3.931  24.786
  906    HA   HIS 118           HA       HIS 118  14.992  -3.908  27.405
  907    HB2  HIS 118           HB2      HIS 118  13.926  -5.060  25.467
  908    HB3  HIS 118           HB1      HIS 118  15.277  -6.186  25.431
  909    HD1  HIS 118           HD1      HIS 118  15.347  -8.012  27.253
  910    HD2  HIS 118           HD2      HIS 118  12.071  -5.476  27.526
  911    HE1  HIS 118           HE1      HIS 118  13.772  -9.120  28.865
  912    HE2  HIS 118           HE2      HIS 118  11.708  -7.678  28.835
  913    H    HIS 119           H        HIS 119  16.419  -3.943  29.010
  914    HA   HIS 119           HA       HIS 119  18.883  -5.379  28.935
  915    HB2  HIS 119           HB2      HIS 119  17.369  -4.109  31.224
  916    HB3  HIS 119           HB1      HIS 119  18.966  -4.831  31.386
  917    HD1  HIS 119           HD1      HIS 119  17.204  -1.841  29.984
  918    HD2  HIS 119           HD2      HIS 119  21.072  -3.317  30.347
  919    HE1  HIS 119           HE1      HIS 119  18.717   0.078  29.399
  920    HE2  HIS 119           HE2      HIS 119  21.039  -0.893  29.455
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   7.304  15.941  17.996
    2    H2   GLY   1           HT2      GLY   1   8.430  14.974  17.185
    3    H3   GLY   1           HT3      GLY   1   8.677  15.380  18.804
    4    HA2  GLY   1           HA1      GLY   1   7.909  13.102  18.579
    5    HA3  GLY   1           HA2      GLY   1   6.786  14.101  19.489
    6    H    SER   2           H        SER   2   6.625  11.644  17.647
    7    HA   SER   2           HA       SER   2   4.974  10.683  16.433
    8    HB2  SER   2           HB2      SER   2   3.360  11.973  17.746
    9    HB3  SER   2           HB1      SER   2   3.567  13.353  16.670
   10    HG   SER   2           HG       SER   2   2.177  10.975  16.286
   11    H    GLN   3           H        GLN   3   5.026  10.200  14.345
   12    HA   GLN   3           HA       GLN   3   6.024  12.208  12.472
   13    HB2  GLN   3           HB2      GLN   3   5.600   9.235  12.134
   14    HB3  GLN   3           HB1      GLN   3   6.256  10.303  10.902
   15    HG2  GLN   3           HG2      GLN   3   8.107  10.857  12.479
   16    HG3  GLN   3           HG1      GLN   3   7.485   9.602  13.552
   17   HE21  GLN   3          HE21      GLN   3   7.624   7.440  12.914
   18   HE22  GLN   3          HE22      GLN   3   8.704   6.929  11.663
   19    H    THR   4           H        THR   4   3.128  11.327  13.617
   20    HA   THR   4           HA       THR   4   1.680  11.276  11.104
   21    HB   THR   4           HB       THR   4   0.425  11.463  13.837
   22    HG1  THR   4           HG1      THR   4   0.719   9.282  14.095
   23   HG21  THR   4          HG21      THR   4  -0.407  10.093  11.273
   24   HG22  THR   4          HG22      THR   4  -1.064  11.606  11.898
   25   HG23  THR   4          HG23      THR   4  -1.326  10.100  12.779
   26    H    THR   5           H        THR   5   3.246  13.634  12.404
   27    HA   THR   5           HA       THR   5   1.393  15.697  12.898
   28    HB   THR   5           HB       THR   5   3.642  15.982  13.665
   29    HG1  THR   5           HG1      THR   5   2.570  17.910  12.969
   30   HG21  THR   5          HG21      THR   5   5.544  16.258  12.117
   31   HG22  THR   5          HG22      THR   5   4.487  15.831  10.772
   32   HG23  THR   5          HG23      THR   5   4.834  14.647  12.031
   33    H    ALA   6           H        ALA   6   2.881  14.485   9.957
   34    HA   ALA   6           HA       ALA   6   0.932  16.052   8.428
   35    HB1  ALA   6           HB1      ALA   6   3.839  15.739   7.689
   36    HB2  ALA   6           HB2      ALA   6   3.061  17.225   8.231
   37    HB3  ALA   6           HB3      ALA   6   2.601  16.500   6.691
   38    HA   PRO   7           HA       PRO   7   0.712  11.568   7.393
   39    HB2  PRO   7           HB2      PRO   7  -2.143  12.145   7.082
   40    HB3  PRO   7           HB1      PRO   7  -1.351  10.976   8.139
   41    HG2  PRO   7           HG2      PRO   7  -2.554  13.191   9.095
   42    HG3  PRO   7           HG1      PRO   7  -1.118  12.487   9.860
   43    HD2  PRO   7           HD2      PRO   7  -1.324  14.846   8.023
   44    HD3  PRO   7           HD1      PRO   7  -0.352  14.648   9.499
   45    H    ASP   8           H        ASP   8   1.791  12.062   5.426
   46    HA   ASP   8           HA       ASP   8   0.177  13.030   3.196
   47    HB2  ASP   8           HB2      ASP   8   2.599  13.720   3.590
   48    HB3  ASP   8           HB1      ASP   8   3.051  12.084   3.125
   49    H    ALA   9           H        ALA   9   1.076  10.168   4.703
   50    HA   ALA   9           HA       ALA   9   0.663   8.486   2.351
   51    HB1  ALA   9           HB1      ALA   9   1.508   6.678   3.699
   52    HB2  ALA   9           HB2      ALA   9   1.479   7.692   5.140
   53    HB3  ALA   9           HB3      ALA   9   2.601   8.057   3.829
   54    HA   PRO  10           HA       PRO  10  -3.496   7.319   3.494
   55    HB2  PRO  10           HB2      PRO  10  -2.711   4.587   2.656
   56    HB3  PRO  10           HB1      PRO  10  -4.022   5.611   2.062
   57    HG2  PRO  10           HG2      PRO  10  -1.840   5.186   0.591
   58    HG3  PRO  10           HG1      PRO  10  -2.639   6.771   0.614
   59    HD2  PRO  10           HD2      PRO  10  -0.155   5.887   2.017
   60    HD3  PRO  10           HD1      PRO  10  -0.499   7.411   1.218
   61    HA   PRO  11           HA       PRO  11  -2.919   5.467   7.547
   62    HB2  PRO  11           HB2      PRO  11  -5.843   5.145   7.468
   63    HB3  PRO  11           HB1      PRO  11  -4.845   6.045   8.610
   64    HG2  PRO  11           HG2      PRO  11  -6.393   7.277   6.795
   65    HG3  PRO  11           HG1      PRO  11  -4.833   7.942   7.308
   66    HD2  PRO  11           HD2      PRO  11  -5.539   6.480   4.801
   67    HD3  PRO  11           HD1      PRO  11  -4.451   7.862   5.037
   68    H    ASP  12           H        ASP  12  -4.555   3.579   8.607
   69    HA   ASP  12           HA       ASP  12  -3.448   1.214   7.761
   70    HB2  ASP  12           HB2      ASP  12  -4.393   1.339   9.935
   71    HB3  ASP  12           HB1      ASP  12  -5.981   1.751   9.297
   72    HA   PRO  13           HA       PRO  13  -6.058   0.025   4.264
   73    HB2  PRO  13           HB2      PRO  13  -4.074  -2.057   3.873
   74    HB3  PRO  13           HB1      PRO  13  -4.478  -0.711   2.806
   75    HG2  PRO  13           HG2      PRO  13  -2.105  -0.912   4.130
   76    HG3  PRO  13           HG1      PRO  13  -2.840   0.634   3.673
   77    HD2  PRO  13           HD2      PRO  13  -2.840  -0.753   6.326
   78    HD3  PRO  13           HD1      PRO  13  -2.638   0.972   5.955
   79    H    THR  14           H        THR  14  -7.754  -1.201   4.803
   80    HA   THR  14           HA       THR  14  -7.387  -3.256   6.855
   81    HB   THR  14           HB       THR  14 -10.005  -2.207   5.799
   82    HG1  THR  14           HG1      THR  14  -8.183  -1.107   7.671
   83   HG21  THR  14          HG21      THR  14 -10.850  -2.915   7.991
   84   HG22  THR  14          HG22      THR  14  -9.237  -3.474   8.435
   85   HG23  THR  14          HG23      THR  14 -10.114  -4.265   7.126
   86    H    VAL  15           H        VAL  15  -7.736  -5.349   6.481
   87    HA   VAL  15           HA       VAL  15  -8.270  -6.120   3.717
   88    HB   VAL  15           HB       VAL  15  -6.952  -7.568   6.013
   89   HG11  VAL  15          HG11      VAL  15  -7.668  -8.677   3.306
   90   HG12  VAL  15          HG12      VAL  15  -8.259  -9.234   4.871
   91   HG13  VAL  15          HG13      VAL  15  -6.559  -9.442   4.445
   92   HG21  VAL  15          HG21      VAL  15  -5.575  -5.942   4.831
   93   HG22  VAL  15          HG22      VAL  15  -5.944  -6.733   3.297
   94   HG23  VAL  15          HG23      VAL  15  -5.010  -7.586   4.528
   95    H    ASP  16           H        ASP  16 -10.340  -6.516   3.316
   96    HA   ASP  16           HA       ASP  16 -11.926  -7.967   5.331
   97    HB2  ASP  16           HB2      ASP  16 -12.750  -5.739   4.352
   98    HB3  ASP  16           HB1      ASP  16 -13.000  -6.618   2.848
   99    H    GLN  17           H        GLN  17 -12.266 -10.067   4.984
  100    HA   GLN  17           HA       GLN  17 -11.398 -11.186   2.455
  101    HB2  GLN  17           HB2      GLN  17 -11.588 -13.372   3.567
  102    HB3  GLN  17           HB1      GLN  17 -10.554 -12.274   4.429
  103    HG2  GLN  17           HG2      GLN  17 -13.408 -12.813   5.188
  104    HG3  GLN  17           HG1      GLN  17 -12.035 -13.693   5.846
  105   HE21  GLN  17          HE21      GLN  17 -13.875 -10.792   5.924
  106   HE22  GLN  17          HE22      GLN  17 -13.043 -10.044   7.244
  107    H    VAL  18           H        VAL  18 -12.808 -11.172   0.874
  108    HA   VAL  18           HA       VAL  18 -15.651 -11.505   1.416
  109    HB   VAL  18           HB       VAL  18 -15.948 -10.987  -0.997
  110   HG11  VAL  18          HG11      VAL  18 -15.298  -8.632  -0.837
  111   HG12  VAL  18          HG12      VAL  18 -14.265  -9.011   0.541
  112   HG13  VAL  18          HG13      VAL  18 -16.012  -9.208   0.669
  113   HG21  VAL  18          HG21      VAL  18 -14.006 -10.148  -2.267
  114   HG22  VAL  18          HG22      VAL  18 -13.858 -11.857  -1.865
  115   HG23  VAL  18          HG23      VAL  18 -12.947 -10.655  -0.952
  116    H    ASP  19           H        ASP  19 -13.008 -13.399   0.547
  117    HA   ASP  19           HA       ASP  19 -14.753 -15.668   0.063
  118    HB2  ASP  19           HB2      ASP  19 -14.142 -14.614  -2.195
  119    HB3  ASP  19           HB1      ASP  19 -12.490 -15.116  -1.858
  120    H    ASP  20           H        ASP  20 -12.808 -17.516  -0.601
  121    HA   ASP  20           HA       ASP  20 -11.487 -17.801   1.951
  122    HB2  ASP  20           HB2      ASP  20 -11.416 -19.559  -0.515
  123    HB3  ASP  20           HB1      ASP  20 -10.741 -19.982   1.053
  124    H    THR  21           H        THR  21 -10.504 -17.607  -1.446
  125    HA   THR  21           HA       THR  21  -7.734 -17.225  -0.564
  126    HB   THR  21           HB       THR  21  -7.263 -17.800  -3.039
  127    HG1  THR  21           HG1      THR  21  -9.134 -17.915  -4.078
  128   HG21  THR  21          HG21      THR  21  -8.384 -19.879  -1.154
  129   HG22  THR  21          HG22      THR  21  -6.720 -19.294  -1.190
  130   HG23  THR  21          HG23      THR  21  -7.364 -20.212  -2.552
  131    H    SER  22           H        SER  22 -10.017 -15.167  -1.027
  132    HA   SER  22           HA       SER  22  -8.254 -13.266  -2.322
  133    HB2  SER  22           HB2      SER  22 -10.210 -12.416  -3.728
  134    HB3  SER  22           HB1      SER  22  -9.442 -13.914  -4.247
  135    HG   SER  22           HG       SER  22 -11.983 -13.469  -3.233
  136    H    ILE  23           H        ILE  23  -8.459 -11.218  -1.647
  137    HA   ILE  23           HA       ILE  23 -10.517 -10.667   0.400
  138    HB   ILE  23           HB       ILE  23  -8.923  -9.312   1.612
  139   HG12  ILE  23          HG12      ILE  23  -6.772 -10.135  -0.332
  140   HG13  ILE  23          HG11      ILE  23  -7.710  -8.667  -0.568
  141   HG21  ILE  23          HG21      ILE  23  -7.698 -11.981   0.925
  142   HG22  ILE  23          HG22      ILE  23  -8.941 -11.695   2.143
  143   HG23  ILE  23          HG23      ILE  23  -7.327 -11.014   2.352
  144   HD11  ILE  23          HD11      ILE  23  -5.658  -8.087   0.467
  145   HD12  ILE  23          HD12      ILE  23  -5.876  -9.308   1.723
  146   HD13  ILE  23          HD13      ILE  23  -6.937  -7.900   1.663
  147    H    VAL  24           H        VAL  24 -11.000  -8.359   0.662
  148    HA   VAL  24           HA       VAL  24 -10.217  -6.718  -1.657
  149    HB   VAL  24           HB       VAL  24 -12.651  -6.377   0.118
  150   HG11  VAL  24          HG11      VAL  24 -11.763  -4.781  -2.285
  151   HG12  VAL  24          HG12      VAL  24 -11.721  -4.232  -0.611
  152   HG13  VAL  24          HG13      VAL  24 -13.268  -4.559  -1.392
  153   HG21  VAL  24          HG21      VAL  24 -12.904  -8.230  -1.438
  154   HG22  VAL  24          HG22      VAL  24 -12.417  -7.191  -2.778
  155   HG23  VAL  24          HG23      VAL  24 -13.927  -6.877  -1.921
  156    H    VAL  25           H        VAL  25  -8.494  -5.617  -1.049
  157    HA   VAL  25           HA       VAL  25  -8.213  -4.747   1.715
  158    HB   VAL  25           HB       VAL  25  -6.241  -5.771   0.874
  159   HG11  VAL  25          HG11      VAL  25  -6.504  -3.961  -1.506
  160   HG12  VAL  25          HG12      VAL  25  -6.576  -5.725  -1.460
  161   HG13  VAL  25          HG13      VAL  25  -5.055  -4.894  -1.137
  162   HG21  VAL  25          HG21      VAL  25  -5.797  -3.811   2.233
  163   HG22  VAL  25          HG22      VAL  25  -5.816  -2.791   0.793
  164   HG23  VAL  25          HG23      VAL  25  -4.556  -4.012   0.992
  165    H    ARG  26           H        ARG  26  -8.890  -2.836   2.317
  166    HA   ARG  26           HA       ARG  26  -9.127  -0.714   0.283
  167    HB2  ARG  26           HB2      ARG  26 -10.906  -1.257   2.663
  168    HB3  ARG  26           HB1      ARG  26 -11.049   0.134   1.598
  169    HG2  ARG  26           HG2      ARG  26 -11.489  -1.391  -0.285
  170    HG3  ARG  26           HG1      ARG  26 -11.427  -2.750   0.838
  171    HD2  ARG  26           HD2      ARG  26 -13.731  -2.040   0.373
  172    HD3  ARG  26           HD1      ARG  26 -13.308  -1.854   2.074
  173    HE   ARG  26           HE       ARG  26 -12.791   0.569   0.773
  174   HH11  ARG  26          HH11      ARG  26 -15.522  -1.436   1.636
  175   HH12  ARG  26          HH12      ARG  26 -16.619  -0.101   1.779
  176   HH21  ARG  26          HH21      ARG  26 -14.226   2.330   0.956
  177   HH22  ARG  26          HH22      ARG  26 -15.881   2.042   1.381
  178    H    TRP  27           H        TRP  27  -8.004   1.052   0.653
  179    HA   TRP  27           HA       TRP  27  -6.996   1.524   3.373
  180    HB2  TRP  27           HB2      TRP  27  -5.202   2.879   2.182
  181    HB3  TRP  27           HB1      TRP  27  -5.133   1.136   1.953
  182    HD1  TRP  27           HD1      TRP  27  -5.834   4.380   0.066
  183    HE1  TRP  27           HE1      TRP  27  -5.829   3.884  -2.457
  184    HE3  TRP  27           HE3      TRP  27  -5.560  -0.721   0.237
  185    HZ2  TRP  27           HZ2      TRP  27  -5.716   1.629  -4.154
  186    HZ3  TRP  27           HZ3      TRP  27  -5.507  -1.973  -1.881
  187    HH2  TRP  27           HH2      TRP  27  -5.585  -0.821  -4.030
  188    H    SER  28           H        SER  28  -7.177   3.519   4.277
  189    HA   SER  28           HA       SER  28  -9.257   5.222   3.298
  190    HB2  SER  28           HB2      SER  28  -7.296   5.733   5.548
  191    HB3  SER  28           HB1      SER  28  -8.861   6.509   5.311
  192    HG   SER  28           HG       SER  28  -9.173   3.839   5.355
  193    H    ARG  29           H        ARG  29  -9.047   7.302   2.442
  194    HA   ARG  29           HA       ARG  29  -6.665   7.816   0.986
  195    HB2  ARG  29           HB2      ARG  29  -8.606   8.579  -0.033
  196    HB3  ARG  29           HB1      ARG  29  -9.201   9.371   1.419
  197    HG2  ARG  29           HG2      ARG  29  -8.506  11.230   0.366
  198    HG3  ARG  29           HG1      ARG  29  -6.912  10.750   0.952
  199    HD2  ARG  29           HD2      ARG  29  -6.743  11.260  -1.388
  200    HD3  ARG  29           HD1      ARG  29  -6.564   9.519  -1.181
  201    HE   ARG  29           HE       ARG  29  -9.264  10.101  -1.671
  202   HH11  ARG  29          HH11      ARG  29  -6.183  10.100  -3.335
  203   HH12  ARG  29          HH12      ARG  29  -6.887   9.843  -4.901
  204   HH21  ARG  29          HH21      ARG  29 -10.186   9.772  -3.731
  205   HH22  ARG  29          HH22      ARG  29  -9.161   9.687  -5.126
  206    HA   PRO  30           HA       PRO  30  -4.148   9.791   4.012
  207    HB2  PRO  30           HB2      PRO  30  -2.787  11.377   2.167
  208    HB3  PRO  30           HB1      PRO  30  -2.352   9.729   2.623
  209    HG2  PRO  30           HG2      PRO  30  -3.861  10.701   0.244
  210    HG3  PRO  30           HG1      PRO  30  -2.700   9.368   0.371
  211    HD2  PRO  30           HD2      PRO  30  -5.354   8.926   0.235
  212    HD3  PRO  30           HD1      PRO  30  -4.285   7.912   1.224
  213    H1   MET  31           HT1      MET  31 -13.840  23.329 -26.746
  214    H2   MET  31           HT2      MET  31 -13.332  22.637 -25.293
  215    H3   MET  31           HT3      MET  31 -12.764  24.160 -25.743
  216    HA   MET  31           HA       MET  31 -14.990  25.063 -25.593
  217    HB2  MET  31           HB2      MET  31 -15.671  22.323 -24.508
  218    HB3  MET  31           HB1      MET  31 -16.742  23.716 -24.493
  219    HG2  MET  31           HG2      MET  31 -16.699  23.754 -26.947
  220    HG3  MET  31           HG1      MET  31 -15.670  22.325 -26.934
  221    HE1  MET  31           HE1      MET  31 -18.753  23.258 -24.667
  222    HE2  MET  31           HE2      MET  31 -20.055  22.411 -25.502
  223    HE3  MET  31           HE3      MET  31 -19.247  23.772 -26.281
  224    H    ARG  32           H        ARG  32 -14.267  22.620 -23.072
  225    HA   ARG  32           HA       ARG  32 -13.508  24.838 -21.299
  226    HB2  ARG  32           HB2      ARG  32 -15.310  22.536 -20.517
  227    HB3  ARG  32           HB1      ARG  32 -14.750  23.814 -19.449
  228    HG2  ARG  32           HG2      ARG  32 -15.944  25.463 -20.832
  229    HG3  ARG  32           HG1      ARG  32 -16.546  24.149 -21.840
  230    HD2  ARG  32           HD2      ARG  32 -17.632  23.174 -19.837
  231    HD3  ARG  32           HD1      ARG  32 -17.107  24.581 -18.909
  232    HE   ARG  32           HE       ARG  32 -18.514  25.428 -21.201
  233   HH11  ARG  32          HH11      ARG  32 -19.071  23.916 -18.095
  234   HH12  ARG  32          HH12      ARG  32 -20.705  24.482 -17.975
  235   HH21  ARG  32          HH21      ARG  32 -20.661  26.165 -21.051
  236   HH22  ARG  32          HH22      ARG  32 -21.618  25.753 -19.663
  237    H    GLY  33           H        GLY  33 -11.345  24.297 -21.571
  238    HA2  GLY  33           HA2      GLY  33 -10.528  21.631 -20.639
  239    HA3  GLY  33           HA1      GLY  33  -9.525  22.746 -21.559
  240    H    SER  34           H        SER  34 -10.762  21.920 -18.414
  241    HA   SER  34           HA       SER  34  -8.934  23.894 -17.220
  242    HB2  SER  34           HB2      SER  34 -11.586  22.956 -16.098
  243    HB3  SER  34           HB1      SER  34 -10.516  24.164 -15.383
  244    HG   SER  34           HG       SER  34 -11.052  24.804 -17.945
  245    H    ASN  35           H        ASN  35  -7.317  22.225 -17.210
  246    HA   ASN  35           HA       ASN  35  -7.719  19.858 -15.631
  247    HB2  ASN  35           HB2      ASN  35  -6.119  19.731 -17.429
  248    HB3  ASN  35           HB1      ASN  35  -5.229  21.110 -16.800
  249   HD21  ASN  35          HD21      ASN  35  -3.777  20.826 -15.158
  250   HD22  ASN  35          HD22      ASN  35  -3.320  19.269 -14.561
  251    H    ALA  36           H        ALA  36  -7.711  19.786 -13.509
  252    HA   ALA  36           HA       ALA  36  -6.486  22.007 -12.031
  253    HB1  ALA  36           HB1      ALA  36  -7.935  21.364 -10.177
  254    HB2  ALA  36           HB2      ALA  36  -8.550  20.004 -11.117
  255    HB3  ALA  36           HB3      ALA  36  -8.876  21.657 -11.639
  256    HA   PRO  37           HA       PRO  37  -3.547  18.783 -10.812
  257    HB2  PRO  37           HB2      PRO  37  -1.449  20.406 -10.447
  258    HB3  PRO  37           HB1      PRO  37  -1.987  19.961 -12.071
  259    HG2  PRO  37           HG2      PRO  37  -2.424  22.494 -10.557
  260    HG3  PRO  37           HG1      PRO  37  -2.102  22.259 -12.283
  261    HD2  PRO  37           HD2      PRO  37  -4.609  22.689 -11.151
  262    HD3  PRO  37           HD1      PRO  37  -4.311  22.004 -12.760
  263    H    GLN  38           H        GLN  38  -5.443  19.350  -9.053
  264    HA   GLN  38           HA       GLN  38  -4.960  21.010  -6.896
  265    HB2  GLN  38           HB2      GLN  38  -6.556  19.551  -5.661
  266    HB3  GLN  38           HB1      GLN  38  -7.129  20.057  -7.242
  267    HG2  GLN  38           HG2      GLN  38  -6.544  17.884  -8.164
  268    HG3  GLN  38           HG1      GLN  38  -5.935  17.375  -6.589
  269   HE21  GLN  38          HE21      GLN  38  -7.385  16.941  -4.936
  270   HE22  GLN  38          HE22      GLN  38  -9.071  16.702  -5.231
  271    HA   PRO  39           HA       PRO  39  -1.650  19.267  -4.615
  272    HB2  PRO  39           HB2      PRO  39  -2.349  20.107  -2.109
  273    HB3  PRO  39           HB1      PRO  39  -1.634  21.160  -3.335
  274    HG2  PRO  39           HG2      PRO  39  -4.504  20.836  -2.556
  275    HG3  PRO  39           HG1      PRO  39  -3.599  22.321  -2.909
  276    HD2  PRO  39           HD2      PRO  39  -5.250  21.203  -4.712
  277    HD3  PRO  39           HD1      PRO  39  -3.751  22.020  -5.194
  278    H    SER  40           H        SER  40  -1.107  17.707  -3.054
  279    HA   SER  40           HA       SER  40  -1.272  15.663  -2.090
  280    HB2  SER  40           HB2      SER  40  -4.006  16.648  -1.238
  281    HB3  SER  40           HB1      SER  40  -3.106  15.318  -0.508
  282    HG   SER  40           HG       SER  40  -2.176  16.755   0.687
  283    H    HIS  41           H        HIS  41  -2.006  15.859  -4.826
  284    HA   HIS  41           HA       HIS  41  -4.281  14.090  -5.178
  285    HB2  HIS  41           HB2      HIS  41  -4.081  15.915  -6.753
  286    HB3  HIS  41           HB1      HIS  41  -2.436  15.441  -7.160
  287    HD1  HIS  41           HD1      HIS  41  -5.997  14.188  -7.537
  288    HD2  HIS  41           HD2      HIS  41  -2.240  13.675  -9.242
  289    HE1  HIS  41           HE1      HIS  41  -6.363  12.765  -9.575
  290    HE2  HIS  41           HE2      HIS  41  -4.063  12.339 -10.498
  291    H    ILE  42           H        ILE  42  -3.968  11.989  -4.873
  292    HA   ILE  42           HA       ILE  42  -1.434  10.735  -5.496
  293    HB   ILE  42           HB       ILE  42  -4.047   9.619  -4.470
  294   HG12  ILE  42          HG12      ILE  42  -2.566   8.925  -2.547
  295   HG13  ILE  42          HG11      ILE  42  -1.272   9.858  -3.284
  296   HG21  ILE  42          HG21      ILE  42  -2.973   7.423  -4.355
  297   HG22  ILE  42          HG22      ILE  42  -1.551   8.077  -5.170
  298   HG23  ILE  42          HG23      ILE  42  -3.095   7.997  -6.019
  299   HD11  ILE  42          HD11      ILE  42  -2.285  11.123  -1.520
  300   HD12  ILE  42          HD12      ILE  42  -3.882  10.914  -2.234
  301   HD13  ILE  42          HD13      ILE  42  -2.664  11.882  -3.066
  302    H    SER  43           H        SER  43  -0.923   9.954  -7.409
  303    HA   SER  43           HA       SER  43  -2.821  10.074  -9.560
  304    HB2  SER  43           HB2      SER  43   0.046   9.106  -9.577
  305    HB3  SER  43           HB1      SER  43  -0.915   9.571 -10.980
  306    HG   SER  43           HG       SER  43  -0.013  11.449 -10.617
  307    H    LYS  44           H        LYS  44  -0.960   7.540  -7.902
  308    HA   LYS  44           HA       LYS  44  -2.993   5.596  -8.530
  309    HB2  LYS  44           HB2      LYS  44  -1.470   4.036  -9.679
  310    HB3  LYS  44           HB1      LYS  44  -1.700   5.522 -10.590
  311    HG2  LYS  44           HG2      LYS  44   0.455   6.352  -9.737
  312    HG3  LYS  44           HG1      LYS  44   0.691   4.817  -8.898
  313    HD2  LYS  44           HD2      LYS  44   0.620   3.637 -11.039
  314    HD3  LYS  44           HD1      LYS  44   0.381   5.171 -11.877
  315    HE2  LYS  44           HE2      LYS  44   2.545   5.957 -11.066
  316    HE3  LYS  44           HE1      LYS  44   2.782   4.434 -10.211
  317    HZ1  LYS  44           HZ1      LYS  44   2.505   4.730 -13.151
  318    HZ2  LYS  44           HZ2      LYS  44   2.757   3.278 -12.325
  319    HZ3  LYS  44           HZ3      LYS  44   3.956   4.471 -12.322
  320    H    TYR  45           H        TYR  45  -2.930   3.807  -7.230
  321    HA   TYR  45           HA       TYR  45  -0.891   3.789  -5.101
  322    HB2  TYR  45           HB2      TYR  45  -3.548   2.341  -5.198
  323    HB3  TYR  45           HB1      TYR  45  -2.449   2.412  -3.832
  324    HD1  TYR  45           HD1      TYR  45  -5.189   3.983  -5.528
  325    HD2  TYR  45           HD2      TYR  45  -2.105   4.636  -2.671
  326    HE1  TYR  45           HE1      TYR  45  -6.421   5.918  -4.647
  327    HE2  TYR  45           HE2      TYR  45  -3.328   6.578  -1.786
  328    HH   TYR  45           HH       TYR  45  -6.563   7.193  -2.528
  329    H    ILE  46           H        ILE  46   0.550   2.146  -5.058
  330    HA   ILE  46           HA       ILE  46   0.061  -0.139  -6.845
  331    HB   ILE  46           HB       ILE  46   2.650   0.931  -5.703
  332   HG12  ILE  46          HG12      ILE  46   3.239   0.972  -8.189
  333   HG13  ILE  46          HG11      ILE  46   1.531   0.697  -8.500
  334   HG21  ILE  46          HG21      ILE  46   2.225  -1.588  -7.305
  335   HG22  ILE  46          HG22      ILE  46   2.705  -1.499  -5.610
  336   HG23  ILE  46          HG23      ILE  46   3.788  -0.900  -6.866
  337   HD11  ILE  46          HD11      ILE  46   2.721   3.057  -7.067
  338   HD12  ILE  46          HD12      ILE  46   1.001   2.784  -7.337
  339   HD13  ILE  46          HD13      ILE  46   2.077   3.039  -8.709
  340    H    LEU  47           H        LEU  47  -0.651  -1.896  -5.913
  341    HA   LEU  47           HA       LEU  47  -0.184  -2.344  -3.057
  342    HB2  LEU  47           HB2      LEU  47  -2.468  -2.546  -4.340
  343    HB3  LEU  47           HB1      LEU  47  -1.846  -4.102  -4.840
  344    HG   LEU  47           HG       LEU  47  -3.338  -4.378  -2.966
  345   HD11  LEU  47          HD11      LEU  47  -0.468  -4.819  -2.198
  346   HD12  LEU  47          HD12      LEU  47  -1.551  -5.949  -3.012
  347   HD13  LEU  47          HD13      LEU  47  -1.852  -5.493  -1.338
  348   HD21  LEU  47          HD21      LEU  47  -3.150  -2.161  -1.994
  349   HD22  LEU  47          HD22      LEU  47  -1.515  -2.530  -1.442
  350   HD23  LEU  47          HD23      LEU  47  -2.892  -3.413  -0.779
  351    H    ARG  48           H        ARG  48   1.611  -3.441  -2.581
  352    HA   ARG  48           HA       ARG  48   2.473  -5.576  -4.421
  353    HB2  ARG  48           HB2      ARG  48   3.982  -3.733  -2.616
  354    HB3  ARG  48           HB1      ARG  48   4.661  -5.305  -2.994
  355    HG2  ARG  48           HG2      ARG  48   4.595  -4.762  -5.357
  356    HG3  ARG  48           HG1      ARG  48   3.893  -3.184  -4.984
  357    HD2  ARG  48           HD2      ARG  48   5.887  -2.611  -3.689
  358    HD3  ARG  48           HD1      ARG  48   6.583  -4.189  -4.056
  359    HE   ARG  48           HE       ARG  48   5.912  -2.864  -6.448
  360   HH11  ARG  48          HH11      ARG  48   8.245  -2.739  -3.839
  361   HH12  ARG  48          HH12      ARG  48   9.491  -2.036  -4.821
  362   HH21  ARG  48          HH21      ARG  48   7.540  -1.955  -7.743
  363   HH22  ARG  48          HH22      ARG  48   9.089  -1.579  -7.047
  364    H    TRP  49           H        TRP  49   2.393  -7.618  -3.734
  365    HA   TRP  49           HA       TRP  49   2.611  -8.153  -0.876
  366    HB2  TRP  49           HB2      TRP  49   0.695  -9.595  -0.787
  367    HB3  TRP  49           HB1      TRP  49   0.170  -8.043  -1.425
  368    HD1  TRP  49           HD1      TRP  49   0.260 -11.703  -2.229
  369    HE1  TRP  49           HE1      TRP  49  -0.857 -12.122  -4.506
  370    HE3  TRP  49           HE3      TRP  49  -0.117  -6.872  -3.845
  371    HZ2  TRP  49           HZ2      TRP  49  -1.773 -10.604  -6.701
  372    HZ3  TRP  49           HZ3      TRP  49  -1.132  -6.436  -6.037
  373    HH2  TRP  49           HH2      TRP  49  -1.943  -8.263  -7.435
  374    H    ARG  50           H        ARG  50   3.289 -10.263  -0.365
  375    HA   ARG  50           HA       ARG  50   3.899 -12.182  -2.421
  376    HB2  ARG  50           HB2      ARG  50   6.267 -12.109  -2.331
  377    HB3  ARG  50           HB1      ARG  50   5.778 -10.430  -2.514
  378    HG2  ARG  50           HG2      ARG  50   6.142 -10.018  -0.177
  379    HG3  ARG  50           HG1      ARG  50   6.465 -11.727   0.112
  380    HD2  ARG  50           HD2      ARG  50   8.305 -11.321  -1.741
  381    HD3  ARG  50           HD1      ARG  50   8.165  -9.657  -1.169
  382    HE   ARG  50           HE       ARG  50   8.584 -11.791   0.788
  383   HH11  ARG  50          HH11      ARG  50   9.862  -9.051  -0.967
  384   HH12  ARG  50          HH12      ARG  50  11.207  -8.825   0.104
  385   HH21  ARG  50          HH21      ARG  50  10.350 -11.504   2.198
  386   HH22  ARG  50          HH22      ARG  50  11.470 -10.211   1.919
  387    HA   PRO  51           HA       PRO  51   3.806 -14.905   1.162
  388    HB2  PRO  51           HB2      PRO  51   6.105 -16.361  -0.002
  389    HB3  PRO  51           HB1      PRO  51   4.496 -16.957   0.417
  390    HG2  PRO  51           HG2      PRO  51   5.234 -16.621  -2.134
  391    HG3  PRO  51           HG1      PRO  51   3.577 -16.288  -1.597
  392    HD2  PRO  51           HD2      PRO  51   5.803 -14.375  -2.185
  393    HD3  PRO  51           HD1      PRO  51   4.070 -14.237  -2.551
  394    H    LYS  52           H        LYS  52   4.707 -14.648   3.132
  395    HA   LYS  52           HA       LYS  52   7.019 -12.949   3.345
  396    HB2  LYS  52           HB2      LYS  52   4.985 -12.741   4.764
  397    HB3  LYS  52           HB1      LYS  52   5.387 -14.270   5.520
  398    HG2  LYS  52           HG2      LYS  52   7.419 -12.108   5.590
  399    HG3  LYS  52           HG1      LYS  52   5.996 -11.959   6.620
  400    HD2  LYS  52           HD2      LYS  52   6.483 -14.149   7.605
  401    HD3  LYS  52           HD1      LYS  52   7.914 -14.289   6.580
  402    HE2  LYS  52           HE2      LYS  52   8.846 -12.275   7.629
  403    HE3  LYS  52           HE1      LYS  52   7.425 -12.166   8.667
  404    HZ1  LYS  52           HZ1      LYS  52   9.295 -13.207   9.797
  405    HZ2  LYS  52           HZ2      LYS  52   9.355 -14.424   8.626
  406    HZ3  LYS  52           HZ3      LYS  52   8.008 -14.293   9.638
  407    H    ASN  53           H        ASN  53   6.553 -16.312   3.271
  408    HA   ASN  53           HA       ASN  53   8.564 -17.147   5.077
  409    HB2  ASN  53           HB2      ASN  53   7.574 -18.613   2.626
  410    HB3  ASN  53           HB1      ASN  53   8.441 -19.321   3.980
  411   HD21  ASN  53          HD21      ASN  53   5.421 -18.278   2.765
  412   HD22  ASN  53          HD22      ASN  53   4.457 -18.760   4.121
  413    H    SER  54           H        SER  54   8.642 -16.020   1.798
  414    HA   SER  54           HA       SER  54  11.555 -16.050   1.902
  415    HB2  SER  54           HB2      SER  54   9.971 -17.123  -0.446
  416    HB3  SER  54           HB1      SER  54  11.720 -16.906  -0.406
  417    HG   SER  54           HG       SER  54  11.452 -18.315   1.621
  418    H    VAL  55           H        VAL  55  12.148 -14.972  -0.550
  419    HA   VAL  55           HA       VAL  55  10.765 -12.415  -0.428
  420    HB   VAL  55           HB       VAL  55  13.118 -12.147  -0.340
  421   HG11  VAL  55          HG11      VAL  55  13.329 -13.834  -2.829
  422   HG12  VAL  55          HG12      VAL  55  13.809 -14.318  -1.204
  423   HG13  VAL  55          HG13      VAL  55  14.664 -13.013  -2.024
  424   HG21  VAL  55          HG21      VAL  55  13.598 -10.854  -2.373
  425   HG22  VAL  55          HG22      VAL  55  11.998 -10.515  -1.715
  426   HG23  VAL  55          HG23      VAL  55  12.168 -11.553  -3.128
  427    H    GLY  56           H        GLY  56  11.777 -14.790  -2.900
  428    HA2  GLY  56           HA2      GLY  56  10.963 -15.229  -4.997
  429    HA3  GLY  56           HA1      GLY  56   9.395 -14.828  -4.316
  430    H    ARG  57           H        ARG  57   8.363 -13.349  -5.421
  431    HA   ARG  57           HA       ARG  57   9.813 -10.987  -6.373
  432    HB2  ARG  57           HB2      ARG  57   7.838 -12.590  -8.016
  433    HB3  ARG  57           HB1      ARG  57   8.448 -11.005  -8.463
  434    HG2  ARG  57           HG2      ARG  57  10.092 -13.508  -8.155
  435    HG3  ARG  57           HG1      ARG  57   9.591 -12.771  -9.677
  436    HD2  ARG  57           HD2      ARG  57  10.840 -10.727  -9.038
  437    HD3  ARG  57           HD1      ARG  57  11.414 -11.567  -7.599
  438    HE   ARG  57           HE       ARG  57  12.124 -12.216 -10.378
  439   HH11  ARG  57          HH11      ARG  57  12.665 -12.605  -6.936
  440   HH12  ARG  57          HH12      ARG  57  14.223 -13.344  -7.143
  441   HH21  ARG  57          HH21      ARG  57  14.166 -13.192 -10.647
  442   HH22  ARG  57          HH22      ARG  57  15.072 -13.687  -9.253
  443    H    TRP  58           H        TRP  58   8.572  -9.096  -6.391
  444    HA   TRP  58           HA       TRP  58   6.268  -9.171  -4.640
  445    HB2  TRP  58           HB2      TRP  58   7.886  -6.959  -5.875
  446    HB3  TRP  58           HB1      TRP  58   6.337  -6.623  -5.112
  447    HD1  TRP  58           HD1      TRP  58   9.952  -7.191  -4.322
  448    HE1  TRP  58           HE1      TRP  58  10.310  -7.058  -1.775
  449    HE3  TRP  58           HE3      TRP  58   5.072  -7.296  -2.821
  450    HZ2  TRP  58           HZ2      TRP  58   8.720  -7.020   0.559
  451    HZ3  TRP  58           HZ3      TRP  58   4.573  -7.209  -0.415
  452    HH2  TRP  58           HH2      TRP  58   6.362  -7.074   1.240
  453    H    LYS  59           H        LYS  59   4.306  -9.547  -5.405
  454    HA   LYS  59           HA       LYS  59   3.588  -9.059  -8.142
  455    HB2  LYS  59           HB2      LYS  59   1.932  -9.794  -5.721
  456    HB3  LYS  59           HB1      LYS  59   1.281  -9.644  -7.348
  457    HG2  LYS  59           HG2      LYS  59   2.702 -11.454  -8.111
  458    HG3  LYS  59           HG1      LYS  59   3.437 -11.571  -6.512
  459    HD2  LYS  59           HD2      LYS  59   1.357 -12.266  -5.539
  460    HD3  LYS  59           HD1      LYS  59   0.496 -11.960  -7.049
  461    HE2  LYS  59           HE2      LYS  59   1.737 -13.723  -8.146
  462    HE3  LYS  59           HE1      LYS  59   2.683 -14.003  -6.684
  463    HZ1  LYS  59           HZ1      LYS  59  -0.244 -14.413  -6.982
  464    HZ2  LYS  59           HZ2      LYS  59   0.628 -14.638  -5.551
  465    HZ3  LYS  59           HZ3      LYS  59   0.930 -15.627  -6.885
  466    H    GLU  60           H        GLU  60   2.660  -7.268  -8.976
  467    HA   GLU  60           HA       GLU  60   2.144  -5.081  -7.079
  468    HB2  GLU  60           HB2      GLU  60   3.352  -4.889  -9.843
  469    HB3  GLU  60           HB1      GLU  60   3.010  -3.529  -8.782
  470    HG2  GLU  60           HG2      GLU  60   4.612  -4.376  -7.166
  471    HG3  GLU  60           HG1      GLU  60   4.945  -5.759  -8.201
  472    H    ALA  61           H        ALA  61   0.263  -4.088  -7.212
  473    HA   ALA  61           HA       ALA  61  -1.315  -4.362  -9.686
  474    HB1  ALA  61           HB1      ALA  61  -3.341  -4.344  -8.325
  475    HB2  ALA  61           HB2      ALA  61  -2.366  -4.254  -6.859
  476    HB3  ALA  61           HB3      ALA  61  -2.296  -5.692  -7.876
  477    H    THR  62           H        THR  62  -1.942  -2.492 -10.582
  478    HA   THR  62           HA       THR  62  -1.299  -0.029  -9.127
  479    HB   THR  62           HB       THR  62  -1.805  -0.341 -12.090
  480    HG1  THR  62           HG1      THR  62   0.046  -1.434 -11.862
  481   HG21  THR  62          HG21      THR  62  -2.068   1.937 -11.252
  482   HG22  THR  62          HG22      THR  62  -0.611   1.805 -12.237
  483   HG23  THR  62          HG23      THR  62  -0.487   1.848 -10.478
  484    H    ILE  63           H        ILE  63  -2.964   0.874  -8.153
  485    HA   ILE  63           HA       ILE  63  -5.633   0.703  -9.400
  486    HB   ILE  63           HB       ILE  63  -4.930   1.268  -6.508
  487   HG12  ILE  63          HG12      ILE  63  -6.302  -0.959  -6.267
  488   HG13  ILE  63          HG11      ILE  63  -5.804  -1.220  -7.934
  489   HG21  ILE  63          HG21      ILE  63  -7.327   1.120  -6.078
  490   HG22  ILE  63          HG22      ILE  63  -7.628   0.891  -7.800
  491   HG23  ILE  63          HG23      ILE  63  -6.964   2.417  -7.217
  492   HD11  ILE  63          HD11      ILE  63  -3.958  -0.784  -5.596
  493   HD12  ILE  63          HD12      ILE  63  -3.468  -1.073  -7.266
  494   HD13  ILE  63          HD13      ILE  63  -4.315  -2.330  -6.366
  495    HA   PRO  64           HA       PRO  64  -5.233   5.081 -10.412
  496    HB2  PRO  64           HB2      PRO  64  -8.199   4.773 -10.206
  497    HB3  PRO  64           HB1      PRO  64  -7.237   5.556 -11.464
  498    HG2  PRO  64           HG2      PRO  64  -8.290   3.145 -11.866
  499    HG3  PRO  64           HG1      PRO  64  -6.673   3.551 -12.473
  500    HD2  PRO  64           HD2      PRO  64  -7.456   1.843 -10.165
  501    HD3  PRO  64           HD1      PRO  64  -6.053   1.715 -11.244
  502    H    GLY  65           H        GLY  65  -5.341   6.954  -9.227
  503    HA2  GLY  65           HA2      GLY  65  -5.548   6.586  -6.399
  504    HA3  GLY  65           HA1      GLY  65  -5.120   8.071  -7.226
  505    H    HIS  66           H        HIS  66  -8.073   6.084  -7.241
  506    HA   HIS  66           HA       HIS  66  -9.552   7.925  -5.660
  507    HB2  HIS  66           HB2      HIS  66 -11.185   8.582  -7.471
  508    HB3  HIS  66           HB1      HIS  66  -9.608   9.350  -7.568
  509    HD1  HIS  66           HD1      HIS  66  -8.448   9.204  -9.758
  510    HD2  HIS  66           HD2      HIS  66 -11.486   6.391  -9.406
  511    HE1  HIS  66           HE1      HIS  66  -8.615   8.107 -12.012
  512    HE2  HIS  66           HE2      HIS  66 -10.589   6.554 -11.827
  513    H    LEU  67           H        LEU  67  -8.977   5.044  -6.002
  514    HA   LEU  67           HA       LEU  67 -11.773   4.118  -6.082
  515    HB2  LEU  67           HB2      LEU  67  -9.306   2.503  -6.732
  516    HB3  LEU  67           HB1      LEU  67 -10.949   1.895  -6.712
  517    HG   LEU  67           HG       LEU  67  -9.788   3.899  -8.642
  518   HD11  LEU  67          HD11      LEU  67  -9.148   1.582  -9.047
  519   HD12  LEU  67          HD12      LEU  67 -10.226   2.186 -10.303
  520   HD13  LEU  67          HD13      LEU  67 -10.846   1.111  -9.050
  521   HD21  LEU  67          HD21      LEU  67 -12.611   2.869  -8.393
  522   HD22  LEU  67          HD22      LEU  67 -11.987   3.795  -9.757
  523   HD23  LEU  67          HD23      LEU  67 -12.068   4.532  -8.159
  524    H    ASN  68           H        ASN  68  -8.581   3.435  -4.736
  525    HA   ASN  68           HA       ASN  68  -7.845   3.103  -2.630
  526    HB2  ASN  68           HB2      ASN  68 -10.624   3.956  -1.799
  527    HB3  ASN  68           HB1      ASN  68  -9.231   3.820  -0.732
  528   HD21  ASN  68          HD21      ASN  68 -10.897   6.120  -1.364
  529   HD22  ASN  68          HD22      ASN  68  -9.829   7.334  -1.970
  530    H    SER  69           H        SER  69  -9.219   0.963  -4.162
  531    HA   SER  69           HA       SER  69  -9.311  -0.975  -2.028
  532    HB2  SER  69           HB2      SER  69 -11.562  -1.833  -2.714
  533    HB3  SER  69           HB1      SER  69 -11.615  -0.231  -1.976
  534    HG   SER  69           HG       SER  69 -11.824  -0.909  -4.720
  535    H    TYR  70           H        TYR  70  -8.650  -2.956  -2.716
  536    HA   TYR  70           HA       TYR  70  -8.823  -3.590  -5.567
  537    HB2  TYR  70           HB2      TYR  70  -6.565  -2.673  -5.240
  538    HB3  TYR  70           HB1      TYR  70  -6.276  -3.831  -3.948
  539    HD1  TYR  70           HD1      TYR  70  -5.321  -5.897  -4.437
  540    HD2  TYR  70           HD2      TYR  70  -7.090  -3.648  -7.584
  541    HE1  TYR  70           HE1      TYR  70  -4.471  -7.528  -6.071
  542    HE2  TYR  70           HE2      TYR  70  -6.248  -5.273  -9.226
  543    HH   TYR  70           HH       TYR  70  -5.033  -8.305  -8.360
  544    H    THR  71           H        THR  71  -9.105  -5.748  -6.005
  545    HA   THR  71           HA       THR  71  -9.584  -7.468  -3.686
  546    HB   THR  71           HB       THR  71 -10.304  -7.953  -6.585
  547    HG1  THR  71           HG1      THR  71 -11.523  -6.494  -4.548
  548   HG21  THR  71          HG21      THR  71 -10.195  -9.993  -5.226
  549   HG22  THR  71          HG22      THR  71 -11.859  -9.613  -5.665
  550   HG23  THR  71          HG23      THR  71 -11.276  -9.262  -4.039
  551    H    ILE  72           H        ILE  72  -7.684  -8.364  -3.080
  552    HA   ILE  72           HA       ILE  72  -5.760  -9.290  -5.034
  553    HB   ILE  72           HB       ILE  72  -5.733  -9.701  -2.039
  554   HG12  ILE  72          HG12      ILE  72  -4.407  -7.560  -3.717
  555   HG13  ILE  72          HG11      ILE  72  -5.731  -7.310  -2.585
  556   HG21  ILE  72          HG21      ILE  72  -3.343 -10.121  -2.358
  557   HG22  ILE  72          HG22      ILE  72  -3.541  -9.930  -4.100
  558   HG23  ILE  72          HG23      ILE  72  -4.328 -11.270  -3.265
  559   HD11  ILE  72          HD11      ILE  72  -2.880  -8.014  -1.999
  560   HD12  ILE  72          HD12      ILE  72  -4.161  -8.203  -0.803
  561   HD13  ILE  72          HD13      ILE  72  -3.802  -6.605  -1.462
  562    H    LYS  73           H        LYS  73  -6.003 -11.172  -6.020
  563    HA   LYS  73           HA       LYS  73  -7.424 -13.322  -4.614
  564    HB2  LYS  73           HB2      LYS  73  -6.945 -12.894  -7.566
  565    HB3  LYS  73           HB1      LYS  73  -7.739 -14.305  -6.881
  566    HG2  LYS  73           HG2      LYS  73  -9.535 -12.929  -6.030
  567    HG3  LYS  73           HG1      LYS  73  -8.717 -11.472  -6.595
  568    HD2  LYS  73           HD2      LYS  73  -8.926 -12.230  -8.897
  569    HD3  LYS  73           HD1      LYS  73  -9.693 -13.719  -8.351
  570    HE2  LYS  73           HE2      LYS  73 -10.801 -10.969  -7.821
  571    HE3  LYS  73           HE1      LYS  73 -11.272 -11.967  -9.194
  572    HZ1  LYS  73           HZ1      LYS  73 -11.632 -12.635  -6.324
  573    HZ2  LYS  73           HZ2      LYS  73 -11.988 -13.680  -7.602
  574    HZ3  LYS  73           HZ3      LYS  73 -12.849 -12.235  -7.426
  575    H    GLY  74           H        GLY  74  -6.369 -15.106  -4.052
  576    HA2  GLY  74           HA2      GLY  74  -4.734 -16.826  -4.703
  577    HA3  GLY  74           HA1      GLY  74  -3.666 -15.512  -5.174
  578    H    LEU  75           H        LEU  75  -5.565 -15.224  -2.286
  579    HA   LEU  75           HA       LEU  75  -3.103 -15.501  -0.706
  580    HB2  LEU  75           HB2      LEU  75  -5.701 -14.122  -0.021
  581    HB3  LEU  75           HB1      LEU  75  -4.315 -14.237   1.045
  582    HG   LEU  75           HG       LEU  75  -4.491 -12.704  -1.549
  583   HD11  LEU  75          HD11      LEU  75  -4.027 -11.815   1.292
  584   HD12  LEU  75          HD12      LEU  75  -5.532 -11.644   0.390
  585   HD13  LEU  75          HD13      LEU  75  -4.089 -10.775  -0.132
  586   HD21  LEU  75          HD21      LEU  75  -2.179 -11.992  -1.076
  587   HD22  LEU  75          HD22      LEU  75  -2.294 -13.718  -1.416
  588   HD23  LEU  75          HD23      LEU  75  -2.107 -13.157   0.246
  589    H    LYS  76           H        LYS  76  -2.877 -17.214   0.555
  590    HA   LYS  76           HA       LYS  76  -5.187 -18.963   0.956
  591    HB2  LYS  76           HB2      LYS  76  -2.230 -19.514   1.298
  592    HB3  LYS  76           HB1      LYS  76  -3.521 -20.698   1.468
  593    HG2  LYS  76           HG2      LYS  76  -4.078 -20.488  -0.871
  594    HG3  LYS  76           HG1      LYS  76  -2.888 -19.201  -1.067
  595    HD2  LYS  76           HD2      LYS  76  -1.978 -21.283  -1.895
  596    HD3  LYS  76           HD1      LYS  76  -1.108 -20.793  -0.442
  597    HE2  LYS  76           HE2      LYS  76  -1.562 -23.177  -0.398
  598    HE3  LYS  76           HE1      LYS  76  -2.451 -22.358   0.882
  599    HZ1  LYS  76           HZ1      LYS  76  -3.584 -23.195  -1.732
  600    HZ2  LYS  76           HZ2      LYS  76  -4.434 -22.443  -0.481
  601    HZ3  LYS  76           HZ3      LYS  76  -3.813 -23.999  -0.261
  602    HA   PRO  77           HA       PRO  77  -5.335 -17.604   5.254
  603    HB2  PRO  77           HB2      PRO  77  -7.020 -20.043   5.450
  604    HB3  PRO  77           HB1      PRO  77  -7.373 -18.387   5.957
  605    HG2  PRO  77           HG2      PRO  77  -8.521 -19.411   3.785
  606    HG3  PRO  77           HG1      PRO  77  -7.986 -17.721   3.824
  607    HD2  PRO  77           HD2      PRO  77  -6.690 -20.088   2.530
  608    HD3  PRO  77           HD1      PRO  77  -6.843 -18.422   1.937
  609    H    GLY  78           H        GLY  78  -3.680 -18.036   6.546
  610    HA2  GLY  78           HA2      GLY  78  -2.713 -19.593   8.161
  611    HA3  GLY  78           HA1      GLY  78  -2.916 -20.864   6.960
  612    H    VAL  79           H        VAL  79  -2.072 -18.734   4.929
  613    HA   VAL  79           HA       VAL  79   0.805 -19.190   5.232
  614    HB   VAL  79           HB       VAL  79  -0.762 -18.282   2.806
  615   HG11  VAL  79          HG11      VAL  79   2.121 -19.110   3.079
  616   HG12  VAL  79          HG12      VAL  79   1.529 -17.482   2.739
  617   HG13  VAL  79          HG13      VAL  79   1.287 -18.775   1.562
  618   HG21  VAL  79          HG21      VAL  79  -1.292 -20.577   3.406
  619   HG22  VAL  79          HG22      VAL  79   0.427 -20.969   3.472
  620   HG23  VAL  79          HG23      VAL  79  -0.317 -20.526   1.936
  621    H    VAL  80           H        VAL  80   2.111 -17.568   5.760
  622    HA   VAL  80           HA       VAL  80   1.002 -14.980   6.292
  623    HB   VAL  80           HB       VAL  80   2.611 -15.937   7.833
  624   HG11  VAL  80          HG11      VAL  80   4.483 -15.908   5.488
  625   HG12  VAL  80          HG12      VAL  80   3.999 -17.276   6.486
  626   HG13  VAL  80          HG13      VAL  80   5.039 -16.020   7.156
  627   HG21  VAL  80          HG21      VAL  80   3.709 -13.495   6.453
  628   HG22  VAL  80          HG22      VAL  80   4.122 -14.032   8.081
  629   HG23  VAL  80          HG23      VAL  80   2.476 -13.519   7.714
  630    H    TYR  81           H        TYR  81   1.063 -13.219   5.083
  631    HA   TYR  81           HA       TYR  81   2.848 -13.154   2.740
  632    HB2  TYR  81           HB2      TYR  81  -0.043 -12.340   2.974
  633    HB3  TYR  81           HB1      TYR  81   0.994 -11.703   1.704
  634    HD1  TYR  81           HD1      TYR  81  -0.829 -14.618   2.919
  635    HD2  TYR  81           HD2      TYR  81   1.824 -13.168  -0.070
  636    HE1  TYR  81           HE1      TYR  81  -1.321 -16.584   1.534
  637    HE2  TYR  81           HE2      TYR  81   1.333 -15.128  -1.468
  638    HH   TYR  81           HH       TYR  81  -1.219 -17.049  -1.112
  639    H    GLU  82           H        GLU  82   3.745 -11.213   2.192
  640    HA   GLU  82           HA       GLU  82   3.599  -9.065   4.198
  641    HB2  GLU  82           HB2      GLU  82   5.650  -9.878   2.148
  642    HB3  GLU  82           HB1      GLU  82   5.636  -8.243   2.787
  643    HG2  GLU  82           HG2      GLU  82   5.755 -10.644   4.572
  644    HG3  GLU  82           HG1      GLU  82   7.200  -9.911   3.878
  645    H    GLY  83           H        GLY  83   2.695  -7.143   3.663
  646    HA2  GLY  83           HA2      GLY  83   2.150  -6.646   0.812
  647    HA3  GLY  83           HA1      GLY  83   0.856  -6.525   1.995
  648    H    GLN  84           H        GLN  84   2.095  -4.534   0.170
  649    HA   GLN  84           HA       GLN  84   2.246  -2.433   2.159
  650    HB2  GLN  84           HB2      GLN  84   4.279  -1.448   0.999
  651    HB3  GLN  84           HB1      GLN  84   4.559  -2.844   2.030
  652    HG2  GLN  84           HG2      GLN  84   4.688  -4.286   0.099
  653    HG3  GLN  84           HG1      GLN  84   4.295  -2.934  -0.959
  654   HE21  GLN  84          HE21      GLN  84   6.723  -4.346   1.100
  655   HE22  GLN  84          HE22      GLN  84   8.052  -3.424   0.488
  656    H    LEU  85           H        LEU  85   1.412  -0.567   1.496
  657    HA   LEU  85           HA       LEU  85   0.396  -0.452  -1.257
  658    HB2  LEU  85           HB2      LEU  85  -1.198  -0.429   0.700
  659    HB3  LEU  85           HB1      LEU  85  -0.505   1.105   1.174
  660    HG   LEU  85           HG       LEU  85  -2.734   1.137  -0.066
  661   HD11  LEU  85          HD11      LEU  85  -2.172   3.163  -1.295
  662   HD12  LEU  85          HD12      LEU  85  -0.457   2.780  -1.155
  663   HD13  LEU  85          HD13      LEU  85  -1.402   3.139   0.290
  664   HD21  LEU  85          HD21      LEU  85  -0.958   0.710  -2.463
  665   HD22  LEU  85          HD22      LEU  85  -2.700   0.992  -2.458
  666   HD23  LEU  85          HD23      LEU  85  -2.047  -0.504  -1.796
  667    H    ILE  86           H        ILE  86   1.756   0.667  -2.518
  668    HA   ILE  86           HA       ILE  86   3.202   2.960  -1.386
  669    HB   ILE  86           HB       ILE  86   3.643   1.688  -4.096
  670   HG12  ILE  86          HG12      ILE  86   5.812   0.871  -2.871
  671   HG13  ILE  86          HG11      ILE  86   4.840   1.050  -1.417
  672   HG21  ILE  86          HG21      ILE  86   5.776   2.879  -4.034
  673   HG22  ILE  86          HG22      ILE  86   5.346   3.569  -2.468
  674   HG23  ILE  86          HG23      ILE  86   4.411   3.990  -3.905
  675   HD11  ILE  86          HD11      ILE  86   4.827  -1.238  -2.247
  676   HD12  ILE  86          HD12      ILE  86   4.154  -0.682  -3.780
  677   HD13  ILE  86          HD13      ILE  86   3.215  -0.527  -2.295
  678    H    SER  87           H        SER  87   2.324   4.898  -1.679
  679    HA   SER  87           HA       SER  87   0.436   5.280  -3.882
  680    HB2  SER  87           HB2      SER  87   1.059   7.104  -1.552
  681    HB3  SER  87           HB1      SER  87  -0.286   7.264  -2.683
  682    HG   SER  87           HG       SER  87   0.089   4.930  -1.140
  683    H    ILE  88           H        ILE  88   1.113   6.160  -5.703
  684    HA   ILE  88           HA       ILE  88   3.468   7.913  -5.681
  685    HB   ILE  88           HB       ILE  88   1.965   6.781  -8.052
  686   HG12  ILE  88          HG12      ILE  88   3.048   5.006  -6.749
  687   HG13  ILE  88          HG11      ILE  88   3.853   5.233  -8.297
  688   HG21  ILE  88          HG21      ILE  88   3.904   7.486  -9.359
  689   HG22  ILE  88          HG22      ILE  88   4.635   8.176  -7.910
  690   HG23  ILE  88          HG23      ILE  88   3.141   8.859  -8.555
  691   HD11  ILE  88          HD11      ILE  88   5.469   4.882  -6.542
  692   HD12  ILE  88          HD12      ILE  88   4.805   6.235  -5.627
  693   HD13  ILE  88          HD13      ILE  88   5.606   6.525  -7.171
  694    H    GLN  89           H        GLN  89   3.045  10.001  -5.430
  695    HA   GLN  89           HA       GLN  89   0.393  10.996  -6.105
  696    HB2  GLN  89           HB2      GLN  89   2.634  12.113  -4.442
  697    HB3  GLN  89           HB1      GLN  89   1.207  13.053  -4.856
  698    HG2  GLN  89           HG2      GLN  89  -0.214  11.498  -3.712
  699    HG3  GLN  89           HG1      GLN  89   1.146  10.418  -3.410
  700   HE21  GLN  89          HE21      GLN  89   2.608  10.914  -1.820
  701   HE22  GLN  89          HE22      GLN  89   2.319  12.138  -0.627
  702    H    GLN  90           H        GLN  90   0.302  13.301  -6.902
  703    HA   GLN  90           HA       GLN  90   1.302  13.531  -9.467
  704    HB2  GLN  90           HB2      GLN  90  -0.586  14.830  -8.479
  705    HB3  GLN  90           HB1      GLN  90   0.585  15.807  -7.607
  706    HG2  GLN  90           HG2      GLN  90   1.507  16.599  -9.721
  707    HG3  GLN  90           HG1      GLN  90   0.344  15.607 -10.602
  708   HE21  GLN  90          HE21      GLN  90   0.814  18.468  -8.698
  709   HE22  GLN  90          HE22      GLN  90  -0.744  19.161  -8.988
  710    H    TYR  91           H        TYR  91   2.654  14.712  -6.441
  711    HA   TYR  91           HA       TYR  91   4.749  16.242  -7.618
  712    HB2  TYR  91           HB2      TYR  91   4.617  15.120  -4.814
  713    HB3  TYR  91           HB1      TYR  91   5.583  16.484  -5.365
  714    HD1  TYR  91           HD1      TYR  91   2.247  15.356  -4.398
  715    HD2  TYR  91           HD2      TYR  91   4.547  18.647  -5.802
  716    HE1  TYR  91           HE1      TYR  91   0.408  16.880  -3.819
  717    HE2  TYR  91           HE2      TYR  91   2.715  20.179  -5.226
  718    HH   TYR  91           HH       TYR  91   0.334  20.136  -4.868
  719    H    GLY  92           H        GLY  92   4.311  12.905  -7.050
  720    HA2  GLY  92           HA2      GLY  92   5.781  11.227  -7.812
  721    HA3  GLY  92           HA1      GLY  92   7.098  12.391  -7.761
  722    H    HIS  93           H        HIS  93   5.531  12.853  -4.956
  723    HA   HIS  93           HA       HIS  93   7.527  11.566  -3.398
  724    HB2  HIS  93           HB2      HIS  93   6.303  13.678  -2.748
  725    HB3  HIS  93           HB1      HIS  93   4.895  12.679  -2.402
  726    HD1  HIS  93           HD1      HIS  93   4.701  12.468   0.078
  727    HD2  HIS  93           HD2      HIS  93   8.659  12.279  -1.207
  728    HE1  HIS  93           HE1      HIS  93   6.074  12.075   2.144
  729    HE2  HIS  93           HE2      HIS  93   8.469  12.147   1.363
  730    H    GLN  94           H        GLN  94   7.604   9.525  -2.792
  731    HA   GLN  94           HA       GLN  94   5.269   7.836  -3.215
  732    HB2  GLN  94           HB2      GLN  94   8.101   7.067  -2.493
  733    HB3  GLN  94           HB1      GLN  94   6.821   5.975  -3.003
  734    HG2  GLN  94           HG2      GLN  94   6.779   7.014  -5.193
  735    HG3  GLN  94           HG1      GLN  94   8.015   8.163  -4.688
  736   HE21  GLN  94          HE21      GLN  94   7.348   4.883  -5.588
  737   HE22  GLN  94          HE22      GLN  94   8.992   4.385  -5.782
  738    H    GLU  95           H        GLU  95   3.977   7.344  -1.600
  739    HA   GLU  95           HA       GLU  95   5.081   7.269   1.129
  740    HB2  GLU  95           HB2      GLU  95   2.351   8.044   0.122
  741    HB3  GLU  95           HB1      GLU  95   2.626   7.598   1.800
  742    HG2  GLU  95           HG2      GLU  95   4.031   9.837   0.359
  743    HG3  GLU  95           HG1      GLU  95   2.642  10.031   1.427
  744    H    VAL  96           H        VAL  96   5.141   5.330   2.054
  745    HA   VAL  96           HA       VAL  96   3.600   3.171   0.771
  746    HB   VAL  96           HB       VAL  96   6.243   2.922   2.212
  747   HG11  VAL  96          HG11      VAL  96   4.944   0.895   2.357
  748   HG12  VAL  96          HG12      VAL  96   6.272   0.659   1.221
  749   HG13  VAL  96          HG13      VAL  96   4.636   0.929   0.622
  750   HG21  VAL  96          HG21      VAL  96   5.645   2.939  -0.746
  751   HG22  VAL  96          HG22      VAL  96   7.199   2.514  -0.029
  752   HG23  VAL  96          HG23      VAL  96   6.562   4.148   0.153
  753    H    THR  97           H        THR  97   2.084   2.295   1.979
  754    HA   THR  97           HA       THR  97   2.399   2.318   4.909
  755    HB   THR  97           HB       THR  97  -0.171   1.861   3.383
  756    HG1  THR  97           HG1      THR  97  -0.435   4.188   4.278
  757   HG21  THR  97          HG21      THR  97   0.396   2.648   6.245
  758   HG22  THR  97          HG22      THR  97  -0.169   1.071   5.696
  759   HG23  THR  97          HG23      THR  97  -1.206   2.488   5.527
  760    H    ARG  98           H        ARG  98   3.203   0.428   5.598
  761    HA   ARG  98           HA       ARG  98   2.831  -1.967   3.999
  762    HB2  ARG  98           HB2      ARG  98   4.483  -1.476   6.480
  763    HB3  ARG  98           HB1      ARG  98   4.454  -2.984   5.577
  764    HG2  ARG  98           HG2      ARG  98   5.292  -1.769   3.595
  765    HG3  ARG  98           HG1      ARG  98   5.413  -0.311   4.580
  766    HD2  ARG  98           HD2      ARG  98   6.850  -2.908   5.106
  767    HD3  ARG  98           HD1      ARG  98   7.567  -1.476   4.371
  768    HE   ARG  98           HE       ARG  98   6.997  -0.341   6.549
  769   HH11  ARG  98          HH11      ARG  98   7.582  -3.794   6.391
  770   HH12  ARG  98          HH12      ARG  98   8.177  -3.893   8.016
  771   HH21  ARG  98          HH21      ARG  98   7.775  -0.473   8.683
  772   HH22  ARG  98          HH22      ARG  98   8.282  -2.005   9.321
  773    H    PHE  99           H        PHE  99   2.021  -3.918   4.761
  774    HA   PHE  99           HA       PHE  99   0.764  -4.036   7.370
  775    HB2  PHE  99           HB2      PHE  99  -1.425  -4.757   6.435
  776    HB3  PHE  99           HB1      PHE  99  -1.047  -3.079   6.076
  777    HD1  PHE  99           HD1      PHE  99  -0.510  -2.385   3.801
  778    HD2  PHE  99           HD2      PHE  99  -1.592  -6.403   4.695
  779    HE1  PHE  99           HE1      PHE  99  -0.934  -2.796   1.414
  780    HE2  PHE  99           HE2      PHE  99  -2.013  -6.824   2.307
  781    HZ   PHE  99           HZ       PHE  99  -1.685  -5.018   0.664
  782    H    ASP 100           H        ASP 100  -0.398  -6.339   7.475
  783    HA   ASP 100           HA       ASP 100   1.172  -8.297   5.980
  784    HB2  ASP 100           HB2      ASP 100   1.822  -9.523   7.969
  785    HB3  ASP 100           HB1      ASP 100   2.411  -7.871   8.090
  786    H    PHE 101           H        PHE 101   0.162 -10.234   5.662
  787    HA   PHE 101           HA       PHE 101  -2.496 -10.560   6.865
  788    HB2  PHE 101           HB2      PHE 101  -2.934  -9.783   4.633
  789    HB3  PHE 101           HB1      PHE 101  -1.743 -10.887   3.952
  790    HD1  PHE 101           HD1      PHE 101  -5.077 -10.654   5.507
  791    HD2  PHE 101           HD2      PHE 101  -2.309 -13.137   3.434
  792    HE1  PHE 101           HE1      PHE 101  -6.850 -12.322   5.138
  793    HE2  PHE 101           HE2      PHE 101  -4.076 -14.807   3.064
  794    HZ   PHE 101           HZ       PHE 101  -6.352 -14.399   3.916
  795    H    THR 102           H        THR 102  -3.069 -12.637   7.386
  796    HA   THR 102           HA       THR 102  -1.473 -14.868   6.456
  797    HB   THR 102           HB       THR 102  -1.760 -14.380   9.431
  798    HG1  THR 102           HG1      THR 102   0.093 -13.509   7.632
  799   HG21  THR 102          HG21      THR 102  -0.220 -16.286   9.630
  800   HG22  THR 102          HG22      THR 102  -0.249 -16.487   7.879
  801   HG23  THR 102          HG23      THR 102  -1.717 -16.747   8.821
  802    H    THR 103           H        THR 103  -4.175 -13.668   8.411
  803    HA   THR 103           HA       THR 103  -5.959 -15.551   7.251
  804    HB   THR 103           HB       THR 103  -4.785 -17.047   8.849
  805    HG1  THR 103           HG1      THR 103  -7.343 -16.821   9.948
  806   HG21  THR 103          HG21      THR 103  -4.269 -15.454  10.610
  807   HG22  THR 103          HG22      THR 103  -5.217 -16.790  11.259
  808   HG23  THR 103          HG23      THR 103  -5.987 -15.236  10.944
  809    H    THR 104           H        THR 104  -5.268 -13.055   9.592
  810    HA   THR 104           HA       THR 104  -6.541 -11.490  10.630
  811    HB   THR 104           HB       THR 104  -8.569 -11.923   8.424
  812    HG1  THR 104           HG1      THR 104  -6.966  -9.906   7.834
  813   HG21  THR 104          HG21      THR 104  -8.972  -9.511   8.746
  814   HG22  THR 104          HG22      THR 104  -7.799  -9.500  10.061
  815   HG23  THR 104          HG23      THR 104  -9.289 -10.431  10.217
  816    H    SER 105           H        SER 105  -6.748 -13.312  12.209
  817    HA   SER 105           HA       SER 105  -9.330 -14.610  12.341
  818    HB2  SER 105           HB2      SER 105  -8.234 -15.483  14.545
  819    HB3  SER 105           HB1      SER 105  -7.626 -16.054  12.992
  820    HG   SER 105           HG       SER 105  -6.512 -13.794  14.282
  821    H    THR 106           H        THR 106 -10.994 -13.458  13.052
  822    HA   THR 106           HA       THR 106 -10.573 -11.313  14.979
  823    HB   THR 106           HB       THR 106 -13.036 -10.857  14.430
  824    HG1  THR 106           HG1      THR 106 -13.582 -11.808  12.314
  825   HG21  THR 106          HG21      THR 106 -10.964 -10.711  12.234
  826   HG22  THR 106          HG22      THR 106 -11.208  -9.521  13.513
  827   HG23  THR 106          HG23      THR 106 -12.457  -9.777  12.295
  828    H    SER 107           H        SER 107 -10.647 -14.275  15.623
  829    HA   SER 107           HA       SER 107 -11.064 -15.425  17.524
  830    HB2  SER 107           HB2      SER 107 -10.990 -13.196  18.668
  831    HB3  SER 107           HB1      SER 107 -12.740 -13.095  18.474
  832    HG   SER 107           HG       SER 107 -11.216 -14.856  20.063
  833    H    THR 108           H        THR 108 -13.990 -13.724  16.386
  834    HA   THR 108           HA       THR 108 -15.857 -15.570  17.329
  835    HB   THR 108           HB       THR 108 -16.255 -14.036  14.772
  836    HG1  THR 108           HG1      THR 108 -16.348 -13.039  17.451
  837   HG21  THR 108          HG21      THR 108 -18.063 -15.520  15.495
  838   HG22  THR 108          HG22      THR 108 -18.544 -13.828  15.625
  839   HG23  THR 108          HG23      THR 108 -18.088 -14.729  17.071
  840    HA   PRO 109           HA       PRO 109 -15.681 -17.831  13.015
  841    HB2  PRO 109           HB2      PRO 109 -13.421 -17.447  11.535
  842    HB3  PRO 109           HB1      PRO 109 -14.900 -16.504  11.310
  843    HG2  PRO 109           HG2      PRO 109 -12.426 -15.805  12.846
  844    HG3  PRO 109           HG1      PRO 109 -13.369 -14.799  11.730
  845    HD2  PRO 109           HD2      PRO 109 -13.633 -14.558  14.388
  846    HD3  PRO 109           HD1      PRO 109 -15.025 -14.390  13.299
  847    H    GLY 110           H        GLY 110 -13.232 -17.358  15.301
  848    HA2  GLY 110           HA2      GLY 110 -11.446 -19.464  14.672
  849    HA3  GLY 110           HA1      GLY 110 -11.616 -18.683  16.237
  850    H    SER 111           H        SER 111 -14.579 -19.463  16.080
  851    HA   SER 111           HA       SER 111 -14.300 -22.047  17.336
  852    HB2  SER 111           HB2      SER 111 -16.806 -20.475  16.678
  853    HB3  SER 111           HB1      SER 111 -16.690 -21.841  17.788
  854    HG   SER 111           HG       SER 111 -14.945 -20.308  18.756
  855    H    ARG 112           H        ARG 112 -13.501 -22.005  14.629
  856    HA   ARG 112           HA       ARG 112 -13.786 -22.920  12.574
  857    HB2  ARG 112           HB2      ARG 112 -13.775 -24.952  14.074
  858    HB3  ARG 112           HB1      ARG 112 -15.533 -24.929  14.007
  859    HG2  ARG 112           HG2      ARG 112 -15.443 -25.205  11.581
  860    HG3  ARG 112           HG1      ARG 112 -13.681 -25.233  11.652
  861    HD2  ARG 112           HD2      ARG 112 -13.779 -27.243  13.049
  862    HD3  ARG 112           HD1      ARG 112 -15.543 -27.214  12.958
  863    HE   ARG 112           HE       ARG 112 -14.609 -27.189  10.354
  864   HH11  ARG 112          HH11      ARG 112 -14.505 -29.368  13.093
  865   HH12  ARG 112          HH12      ARG 112 -14.378 -30.790  12.107
  866   HH21  ARG 112          HH21      ARG 112 -14.434 -29.040   9.071
  867   HH22  ARG 112          HH22      ARG 112 -14.328 -30.604   9.818
  868    H    SER 113           H        SER 113 -15.262 -20.790  12.703
  869    HA   SER 113           HA       SER 113 -17.849 -21.575  11.544
  870    HB2  SER 113           HB2      SER 113 -18.075 -20.630  13.866
  871    HB3  SER 113           HB1      SER 113 -17.394 -19.121  13.259
  872    HG   SER 113           HG       SER 113 -19.295 -18.634  12.551
  873    H    HIS 114           H        HIS 114 -16.887 -21.417   9.484
  874    HA   HIS 114           HA       HIS 114 -16.352 -18.645   8.648
  875    HB2  HIS 114           HB2      HIS 114 -15.142 -21.211   7.609
  876    HB3  HIS 114           HB1      HIS 114 -14.985 -19.663   6.787
  877    HD1  HIS 114           HD1      HIS 114 -13.210 -18.073   7.631
  878    HD2  HIS 114           HD2      HIS 114 -13.799 -21.338  10.140
  879    HE1  HIS 114           HE1      HIS 114 -11.361 -17.964   9.332
  880    HE2  HIS 114           HE2      HIS 114 -11.652 -20.034  10.742
  881    H    HIS 115           H        HIS 115 -18.615 -18.400   8.287
  882    HA   HIS 115           HA       HIS 115 -19.842 -19.974   6.184
  883    HB2  HIS 115           HB2      HIS 115 -20.805 -17.689   7.895
  884    HB3  HIS 115           HB1      HIS 115 -21.733 -18.257   6.514
  885    HD1  HIS 115           HD1      HIS 115 -23.567 -19.696   7.280
  886    HD2  HIS 115           HD2      HIS 115 -20.143 -20.227   9.578
  887    HE1  HIS 115           HE1      HIS 115 -24.149 -21.473   8.961
  888    HE2  HIS 115           HE2      HIS 115 -22.097 -21.707  10.407
  889    H    HIS 116           H        HIS 116 -19.549 -19.546   4.123
  890    HA   HIS 116           HA       HIS 116 -18.710 -16.833   3.355
  891    HB2  HIS 116           HB2      HIS 116 -18.216 -19.495   2.003
  892    HB3  HIS 116           HB1      HIS 116 -17.787 -17.939   1.301
  893    HD1  HIS 116           HD1      HIS 116 -16.547 -20.546   3.537
  894    HD2  HIS 116           HD2      HIS 116 -15.750 -16.528   2.829
  895    HE1  HIS 116           HE1      HIS 116 -14.307 -20.109   4.590
  896    HE2  HIS 116           HE2      HIS 116 -13.913 -17.640   4.275
  897    H    HIS 117           H        HIS 117 -21.267 -16.835   3.709
  898    HA   HIS 117           HA       HIS 117 -22.782 -17.721   1.435
  899    HB2  HIS 117           HB2      HIS 117 -23.767 -17.518   3.717
  900    HB3  HIS 117           HB1      HIS 117 -23.571 -15.773   3.617
  901    HD1  HIS 117           HD1      HIS 117 -25.496 -18.588   1.987
  902    HD2  HIS 117           HD2      HIS 117 -25.625 -14.450   2.366
  903    HE1  HIS 117           HE1      HIS 117 -27.700 -17.887   0.999
  904    HE2  HIS 117           HE2      HIS 117 -27.804 -15.393   1.334
  905    H    HIS 118           H        HIS 118 -21.389 -16.701  -0.147
  906    HA   HIS 118           HA       HIS 118 -21.540 -13.798  -0.327
  907    HB2  HIS 118           HB2      HIS 118 -19.387 -14.969  -0.735
  908    HB3  HIS 118           HB1      HIS 118 -20.115 -15.785  -2.110
  909    HD1  HIS 118           HD1      HIS 118 -18.663 -12.532  -1.037
  910    HD2  HIS 118           HD2      HIS 118 -20.492 -14.160  -4.395
  911    HE1  HIS 118           HE1      HIS 118 -18.195 -10.923  -2.911
  912    HE2  HIS 118           HE2      HIS 118 -19.386 -11.882  -4.910
  913    H    HIS 119           H        HIS 119 -22.863 -12.745  -1.649
  914    HA   HIS 119           HA       HIS 119 -24.432 -12.269  -3.207
  915    HB2  HIS 119           HB2      HIS 119 -22.637 -13.179  -4.725
  916    HB3  HIS 119           HB1      HIS 119 -23.462 -14.732  -4.670
  917    HD1  HIS 119           HD1      HIS 119 -23.830 -11.242  -6.002
  918    HD2  HIS 119           HD2      HIS 119 -25.711 -14.938  -6.282
  919    HE1  HIS 119           HE1      HIS 119 -25.468 -11.026  -7.899
  920    HE2  HIS 119           HE2      HIS 119 -26.669 -13.239  -7.977
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  11.741  22.987   7.086
    2    H2   GLY   1           HT2      GLY   1  12.293  21.501   7.677
    3    H3   GLY   1           HT3      GLY   1  11.433  22.547   8.690
    4    HA2  GLY   1           HA1      GLY   1   9.453  22.285   7.338
    5    HA3  GLY   1           HA2      GLY   1  10.346  21.203   6.280
    6    H    SER   2           H        SER   2   7.931  20.763   7.959
    7    HA   SER   2           HA       SER   2   8.876  18.850   9.936
    8    HB2  SER   2           HB2      SER   2   6.049  19.644   9.187
    9    HB3  SER   2           HB1      SER   2   6.516  18.655  10.570
   10    HG   SER   2           HG       SER   2   7.596  20.435  11.434
   11    H    GLN   3           H        GLN   3   9.463  16.922   9.183
   12    HA   GLN   3           HA       GLN   3   8.368  15.862   6.743
   13    HB2  GLN   3           HB2      GLN   3  10.307  14.669   8.725
   14    HB3  GLN   3           HB1      GLN   3   9.857  13.924   7.198
   15    HG2  GLN   3           HG2      GLN   3  10.758  15.886   6.013
   16    HG3  GLN   3           HG1      GLN   3  11.276  16.552   7.562
   17   HE21  GLN   3          HE21      GLN   3  11.827  14.112   5.159
   18   HE22  GLN   3          HE22      GLN   3  13.366  13.592   5.743
   19    H    THR   4           H        THR   4   7.275  15.871   9.894
   20    HA   THR   4           HA       THR   4   6.251  13.194   9.958
   21    HB   THR   4           HB       THR   4   6.729  14.506  12.033
   22    HG1  THR   4           HG1      THR   4   3.997  13.695  11.871
   23   HG21  THR   4          HG21      THR   4   5.083  16.121  12.827
   24   HG22  THR   4          HG22      THR   4   4.180  15.961  11.322
   25   HG23  THR   4          HG23      THR   4   5.796  16.664  11.309
   26    H    THR   5           H        THR   5   5.181  16.205   8.639
   27    HA   THR   5           HA       THR   5   2.541  15.034   8.083
   28    HB   THR   5           HB       THR   5   1.959  17.440   7.430
   29    HG1  THR   5           HG1      THR   5   3.331  19.027   8.321
   30   HG21  THR   5          HG21      THR   5   1.163  16.417   9.501
   31   HG22  THR   5          HG22      THR   5   1.574  18.112   9.761
   32   HG23  THR   5          HG23      THR   5   2.673  16.845  10.305
   33    H    ALA   6           H        ALA   6   5.431  15.131   6.744
   34    HA   ALA   6           HA       ALA   6   4.883  16.146   4.131
   35    HB1  ALA   6           HB1      ALA   6   7.178  14.432   5.070
   36    HB2  ALA   6           HB2      ALA   6   7.139  16.195   5.047
   37    HB3  ALA   6           HB3      ALA   6   7.081  15.292   3.534
   38    HA   PRO   7           HA       PRO   7   4.625  11.501   2.905
   39    HB2  PRO   7           HB2      PRO   7   3.975   9.995   5.315
   40    HB3  PRO   7           HB1      PRO   7   5.287   9.736   4.163
   41    HG2  PRO   7           HG2      PRO   7   5.713  10.599   6.692
   42    HG3  PRO   7           HG1      PRO   7   6.751  11.064   5.331
   43    HD2  PRO   7           HD2      PRO   7   4.537  12.605   6.637
   44    HD3  PRO   7           HD1      PRO   7   6.137  13.165   6.108
   45    H    ASP   8           H        ASP   8   2.732  11.185   1.930
   46    HA   ASP   8           HA       ASP   8   0.273  11.635   3.473
   47    HB2  ASP   8           HB2      ASP   8   0.838  11.680   0.512
   48    HB3  ASP   8           HB1      ASP   8  -0.797  11.686   1.164
   49    H    ALA   9           H        ALA   9   1.385   9.371   4.153
   50    HA   ALA   9           HA       ALA   9   0.515   7.160   2.510
   51    HB1  ALA   9           HB1      ALA   9   1.517   5.757   4.214
   52    HB2  ALA   9           HB2      ALA   9   1.720   7.150   5.273
   53    HB3  ALA   9           HB3      ALA   9   2.627   7.051   3.764
   54    HA   PRO  10           HA       PRO  10  -3.564   6.800   4.304
   55    HB2  PRO  10           HB2      PRO  10  -3.143   3.928   3.659
   56    HB3  PRO  10           HB1      PRO  10  -4.477   4.998   3.211
   57    HG2  PRO  10           HG2      PRO  10  -2.644   4.280   1.416
   58    HG3  PRO  10           HG1      PRO  10  -3.311   5.923   1.433
   59    HD2  PRO  10           HD2      PRO  10  -0.665   4.950   2.405
   60    HD3  PRO  10           HD1      PRO  10  -1.068   6.450   1.591
   61    HA   PRO  11           HA       PRO  11  -2.546   5.984   8.519
   62    HB2  PRO  11           HB2      PRO  11  -5.335   4.897   8.542
   63    HB3  PRO  11           HB1      PRO  11  -4.553   6.005   9.675
   64    HG2  PRO  11           HG2      PRO  11  -6.235   6.920   7.826
   65    HG3  PRO  11           HG1      PRO  11  -4.773   7.823   8.257
   66    HD2  PRO  11           HD2      PRO  11  -5.371   6.254   5.812
   67    HD3  PRO  11           HD1      PRO  11  -4.306   7.655   6.025
   68    H    ASP  12           H        ASP  12  -4.722   3.441   7.277
   69    HA   ASP  12           HA       ASP  12  -2.718   1.412   7.694
   70    HB2  ASP  12           HB2      ASP  12  -3.512   1.582   9.964
   71    HB3  ASP  12           HB1      ASP  12  -5.188   1.525   9.430
   72    HA   PRO  13           HA       PRO  13  -5.377  -0.161   4.390
   73    HB2  PRO  13           HB2      PRO  13  -3.168  -2.056   4.041
   74    HB3  PRO  13           HB1      PRO  13  -3.831  -0.894   2.888
   75    HG2  PRO  13           HG2      PRO  13  -1.391  -0.582   3.993
   76    HG3  PRO  13           HG1      PRO  13  -2.428   0.797   3.586
   77    HD2  PRO  13           HD2      PRO  13  -1.954  -0.493   6.251
   78    HD3  PRO  13           HD1      PRO  13  -2.055   1.234   5.836
   79    H    THR  14           H        THR  14  -6.964  -1.425   5.091
   80    HA   THR  14           HA       THR  14  -6.330  -3.576   6.994
   81    HB   THR  14           HB       THR  14  -9.071  -2.457   6.462
   82    HG1  THR  14           HG1      THR  14  -6.919  -1.360   7.905
   83   HG21  THR  14          HG21      THR  14  -9.498  -3.230   8.750
   84   HG22  THR  14          HG22      THR  14  -7.831  -3.789   8.874
   85   HG23  THR  14          HG23      THR  14  -8.933  -4.553   7.729
   86    H    VAL  15           H        VAL  15  -7.025  -5.642   6.653
   87    HA   VAL  15           HA       VAL  15  -7.896  -6.264   3.939
   88    HB   VAL  15           HB       VAL  15  -6.756  -8.007   6.128
   89   HG11  VAL  15          HG11      VAL  15  -6.714  -9.821   4.509
   90   HG12  VAL  15          HG12      VAL  15  -7.524  -8.798   3.323
   91   HG13  VAL  15          HG13      VAL  15  -8.370  -9.280   4.795
   92   HG21  VAL  15          HG21      VAL  15  -4.877  -8.229   4.508
   93   HG22  VAL  15          HG22      VAL  15  -5.098  -6.595   5.136
   94   HG23  VAL  15          HG23      VAL  15  -5.653  -7.000   3.511
   95    H    ASP  16           H        ASP  16  -9.940  -6.706   3.527
   96    HA   ASP  16           HA       ASP  16 -11.658  -7.704   5.706
   97    HB2  ASP  16           HB2      ASP  16 -12.107  -5.335   5.410
   98    HB3  ASP  16           HB1      ASP  16 -12.282  -5.548   3.674
   99    H    GLN  17           H        GLN  17 -13.117  -9.249   5.174
  100    HA   GLN  17           HA       GLN  17 -14.230 -10.849   4.041
  101    HB2  GLN  17           HB2      GLN  17 -13.993  -8.935   1.727
  102    HB3  GLN  17           HB1      GLN  17 -15.044 -10.326   1.776
  103    HG2  GLN  17           HG2      GLN  17 -16.231  -9.359   3.685
  104    HG3  GLN  17           HG1      GLN  17 -15.183  -7.944   3.603
  105   HE21  GLN  17          HE21      GLN  17 -16.763  -6.495   3.186
  106   HE22  GLN  17          HE22      GLN  17 -17.667  -6.454   1.705
  107    H    VAL  18           H        VAL  18 -12.505 -12.332   4.259
  108    HA   VAL  18           HA       VAL  18 -10.710 -12.700   2.035
  109    HB   VAL  18           HB       VAL  18  -9.879 -13.272   4.232
  110   HG11  VAL  18          HG11      VAL  18 -12.096 -15.308   4.363
  111   HG12  VAL  18          HG12      VAL  18 -11.939 -13.857   5.354
  112   HG13  VAL  18          HG13      VAL  18 -10.769 -15.167   5.516
  113   HG21  VAL  18          HG21      VAL  18 -10.281 -15.733   2.538
  114   HG22  VAL  18          HG22      VAL  18  -9.080 -15.558   3.818
  115   HG23  VAL  18          HG23      VAL  18  -8.987 -14.547   2.375
  116    H    ASP  19           H        ASP  19 -11.348 -13.536   0.211
  117    HA   ASP  19           HA       ASP  19 -13.747 -15.178   0.046
  118    HB2  ASP  19           HB2      ASP  19 -12.823 -13.247  -1.579
  119    HB3  ASP  19           HB1      ASP  19 -12.059 -14.633  -2.349
  120    H    ASP  20           H        ASP  20 -12.944 -16.738  -2.246
  121    HA   ASP  20           HA       ASP  20 -11.940 -19.010  -0.958
  122    HB2  ASP  20           HB2      ASP  20 -11.896 -20.088  -3.070
  123    HB3  ASP  20           HB1      ASP  20 -13.224 -18.941  -3.154
  124    H    THR  21           H        THR  21 -10.253 -16.718  -3.081
  125    HA   THR  21           HA       THR  21  -7.803 -17.163  -1.583
  126    HB   THR  21           HB       THR  21  -6.533 -17.207  -3.846
  127    HG1  THR  21           HG1      THR  21  -9.059 -18.281  -4.651
  128   HG21  THR  21          HG21      THR  21  -6.436 -19.053  -2.292
  129   HG22  THR  21          HG22      THR  21  -6.624 -19.675  -3.931
  130   HG23  THR  21          HG23      THR  21  -8.009 -19.639  -2.841
  131    H    SER  22           H        SER  22  -9.558 -14.992  -1.616
  132    HA   SER  22           HA       SER  22  -7.894 -12.922  -2.816
  133    HB2  SER  22           HB2      SER  22 -10.877 -13.047  -3.307
  134    HB3  SER  22           HB1      SER  22  -9.744 -11.859  -3.953
  135    HG   SER  22           HG       SER  22  -8.756 -14.145  -4.661
  136    H    ILE  23           H        ILE  23  -8.308 -10.805  -1.944
  137    HA   ILE  23           HA       ILE  23 -10.041 -10.723   0.436
  138    HB   ILE  23           HB       ILE  23  -8.421  -9.455   1.694
  139   HG12  ILE  23          HG12      ILE  23  -6.392  -9.856  -0.493
  140   HG13  ILE  23          HG11      ILE  23  -7.435  -8.441  -0.459
  141   HG21  ILE  23          HG21      ILE  23  -7.108 -11.920   0.559
  142   HG22  ILE  23          HG22      ILE  23  -8.258 -11.879   1.897
  143   HG23  ILE  23          HG23      ILE  23  -6.675 -11.122   2.070
  144   HD11  ILE  23          HD11      ILE  23  -5.337  -9.250   1.526
  145   HD12  ILE  23          HD12      ILE  23  -6.544  -8.009   1.858
  146   HD13  ILE  23          HD13      ILE  23  -5.407  -7.793   0.527
  147    H    VAL  24           H        VAL  24 -10.720  -8.529   0.986
  148    HA   VAL  24           HA       VAL  24 -10.288  -6.591  -1.186
  149    HB   VAL  24           HB       VAL  24 -12.353  -6.476   1.027
  150   HG11  VAL  24          HG11      VAL  24 -12.024  -4.819  -1.475
  151   HG12  VAL  24          HG12      VAL  24 -11.727  -4.282   0.179
  152   HG13  VAL  24          HG13      VAL  24 -13.362  -4.699  -0.332
  153   HG21  VAL  24          HG21      VAL  24 -13.996  -7.042  -0.709
  154   HG22  VAL  24          HG22      VAL  24 -12.826  -8.338  -0.465
  155   HG23  VAL  24          HG23      VAL  24 -12.685  -7.275  -1.865
  156    H    VAL  25           H        VAL  25  -8.475  -5.511  -0.725
  157    HA   VAL  25           HA       VAL  25  -7.886  -4.788   2.039
  158    HB   VAL  25           HB       VAL  25  -5.987  -5.677   0.930
  159   HG11  VAL  25          HG11      VAL  25  -6.620  -3.801  -1.321
  160   HG12  VAL  25          HG12      VAL  25  -6.564  -5.565  -1.341
  161   HG13  VAL  25          HG13      VAL  25  -5.076  -4.638  -1.160
  162   HG21  VAL  25          HG21      VAL  25  -4.372  -3.846   0.931
  163   HG22  VAL  25          HG22      VAL  25  -5.457  -3.770   2.321
  164   HG23  VAL  25          HG23      VAL  25  -5.698  -2.682   0.955
  165    H    ARG  26           H        ARG  26  -8.411  -2.898   2.843
  166    HA   ARG  26           HA       ARG  26  -9.249  -0.776   0.971
  167    HB2  ARG  26           HB2      ARG  26 -10.263  -1.222   3.780
  168    HB3  ARG  26           HB1      ARG  26 -10.897  -0.096   2.592
  169    HG2  ARG  26           HG2      ARG  26 -11.564  -2.019   1.188
  170    HG3  ARG  26           HG1      ARG  26 -11.030  -3.098   2.479
  171    HD2  ARG  26           HD2      ARG  26 -12.605  -1.819   4.002
  172    HD3  ARG  26           HD1      ARG  26 -13.266  -1.089   2.541
  173    HE   ARG  26           HE       ARG  26 -13.373  -3.954   3.214
  174   HH11  ARG  26          HH11      ARG  26 -14.599  -1.197   1.431
  175   HH12  ARG  26          HH12      ARG  26 -15.976  -2.053   0.817
  176   HH21  ARG  26          HH21      ARG  26 -15.173  -5.068   2.447
  177   HH22  ARG  26          HH22      ARG  26 -16.307  -4.265   1.399
  178    H    TRP  27           H        TRP  27  -8.588   1.310   1.348
  179    HA   TRP  27           HA       TRP  27  -7.238   1.963   3.834
  180    HB2  TRP  27           HB2      TRP  27  -5.243   2.866   2.699
  181    HB3  TRP  27           HB1      TRP  27  -5.396   1.131   2.453
  182    HD1  TRP  27           HD1      TRP  27  -5.550   4.452   0.578
  183    HE1  TRP  27           HE1      TRP  27  -5.459   3.982  -1.950
  184    HE3  TRP  27           HE3      TRP  27  -5.954  -0.642   0.682
  185    HZ2  TRP  27           HZ2      TRP  27  -5.539   1.746  -3.672
  186    HZ3  TRP  27           HZ3      TRP  27  -5.933  -1.870  -1.450
  187    HH2  TRP  27           HH2      TRP  27  -5.731  -0.699  -3.580
  188    H    SER  28           H        SER  28  -7.118   4.224   4.211
  189    HA   SER  28           HA       SER  28  -8.784   5.806   2.381
  190    HB2  SER  28           HB2      SER  28  -9.116   7.276   4.451
  191    HB3  SER  28           HB1      SER  28  -9.893   5.694   4.470
  192    HG   SER  28           HG       SER  28  -8.246   6.660   6.252
  193    H    ARG  29           H        ARG  29  -7.886   7.550   1.399
  194    HA   ARG  29           HA       ARG  29  -5.136   8.161   2.091
  195    HB2  ARG  29           HB2      ARG  29  -4.853   9.098   0.008
  196    HB3  ARG  29           HB1      ARG  29  -6.083   7.894  -0.329
  197    HG2  ARG  29           HG2      ARG  29  -6.591  10.822   0.143
  198    HG3  ARG  29           HG1      ARG  29  -6.534  10.026  -1.430
  199    HD2  ARG  29           HD2      ARG  29  -8.425   8.642  -0.821
  200    HD3  ARG  29           HD1      ARG  29  -8.450   9.361   0.790
  201    HE   ARG  29           HE       ARG  29  -8.679  11.489  -0.907
  202   HH11  ARG  29          HH11      ARG  29 -10.481   8.524  -0.458
  203   HH12  ARG  29          HH12      ARG  29 -11.981   9.205  -0.996
  204   HH21  ARG  29          HH21      ARG  29 -10.644  12.384  -1.624
  205   HH22  ARG  29          HH22      ARG  29 -12.073  11.401  -1.670
  206    HA   PRO  30           HA       PRO  30  -5.906  11.811   4.432
  207    HB2  PRO  30           HB2      PRO  30  -3.908  13.241   2.775
  208    HB3  PRO  30           HB1      PRO  30  -3.937  12.972   4.520
  209    HG2  PRO  30           HG2      PRO  30  -2.236  11.638   2.961
  210    HG3  PRO  30           HG1      PRO  30  -3.023  10.850   4.344
  211    HD2  PRO  30           HD2      PRO  30  -3.669  10.647   1.428
  212    HD3  PRO  30           HD1      PRO  30  -3.648   9.381   2.664
  213    H1   MET  31           HT1      MET  31  -0.679  24.592  -3.651
  214    H2   MET  31           HT2      MET  31   0.102  24.388  -2.164
  215    H3   MET  31           HT3      MET  31  -0.394  25.926  -2.654
  216    HA   MET  31           HA       MET  31  -2.205  23.657  -2.097
  217    HB2  MET  31           HB2      MET  31  -1.095  24.503  -0.055
  218    HB3  MET  31           HB1      MET  31  -1.652  26.126  -0.435
  219    HG2  MET  31           HG2      MET  31  -3.974  25.357  -0.241
  220    HG3  MET  31           HG1      MET  31  -3.392  23.752   0.195
  221    HE1  MET  31           HE1      MET  31  -2.018  23.231   2.404
  222    HE2  MET  31           HE2      MET  31  -1.614  24.440   3.623
  223    HE3  MET  31           HE3      MET  31  -0.849  24.500   2.034
  224    H    ARG  32           H        ARG  32  -2.108  27.227  -2.193
  225    HA   ARG  32           HA       ARG  32  -4.716  27.153  -3.550
  226    HB2  ARG  32           HB2      ARG  32  -3.423  29.332  -1.903
  227    HB3  ARG  32           HB1      ARG  32  -4.929  29.527  -2.786
  228    HG2  ARG  32           HG2      ARG  32  -5.940  27.750  -1.436
  229    HG3  ARG  32           HG1      ARG  32  -4.430  27.593  -0.535
  230    HD2  ARG  32           HD2      ARG  32  -4.630  29.909   0.210
  231    HD3  ARG  32           HD1      ARG  32  -6.129  30.080  -0.701
  232    HE   ARG  32           HE       ARG  32  -6.453  27.917   1.016
  233   HH11  ARG  32          HH11      ARG  32  -5.937  31.370   1.249
  234   HH12  ARG  32          HH12      ARG  32  -6.765  31.521   2.762
  235   HH21  ARG  32          HH21      ARG  32  -7.541  28.115   3.021
  236   HH22  ARG  32          HH22      ARG  32  -7.664  29.670   3.780
  237    H    GLY  33           H        GLY  33  -5.052  28.399  -5.391
  238    HA2  GLY  33           HA2      GLY  33  -3.211  30.143  -6.564
  239    HA3  GLY  33           HA1      GLY  33  -2.861  28.527  -7.160
  240    H    SER  34           H        SER  34  -3.594  28.513  -9.198
  241    HA   SER  34           HA       SER  34  -6.015  29.882  -9.927
  242    HB2  SER  34           HB2      SER  34  -4.079  29.732 -11.469
  243    HB3  SER  34           HB1      SER  34  -4.311  27.987 -11.563
  244    HG   SER  34           HG       SER  34  -5.294  29.365 -13.269
  245    H    ASN  35           H        ASN  35  -4.980  26.467  -9.883
  246    HA   ASN  35           HA       ASN  35  -7.828  25.707  -9.812
  247    HB2  ASN  35           HB2      ASN  35  -7.223  23.632 -10.957
  248    HB3  ASN  35           HB1      ASN  35  -6.724  25.026 -11.908
  249   HD21  ASN  35          HD21      ASN  35  -5.745  22.304 -12.004
  250   HD22  ASN  35          HD22      ASN  35  -4.048  22.380 -11.677
  251    H    ALA  36           H        ALA  36  -6.150  26.355  -7.587
  252    HA   ALA  36           HA       ALA  36  -5.410  25.641  -5.563
  253    HB1  ALA  36           HB1      ALA  36  -7.804  25.163  -5.363
  254    HB2  ALA  36           HB2      ALA  36  -6.832  24.021  -4.435
  255    HB3  ALA  36           HB3      ALA  36  -7.528  23.534  -5.980
  256    HA   PRO  37           HA       PRO  37  -2.781  22.251  -7.437
  257    HB2  PRO  37           HB2      PRO  37  -0.556  23.998  -6.667
  258    HB3  PRO  37           HB1      PRO  37  -0.928  23.295  -8.243
  259    HG2  PRO  37           HG2      PRO  37  -1.191  25.932  -7.751
  260    HG3  PRO  37           HG1      PRO  37  -2.263  25.063  -8.865
  261    HD2  PRO  37           HD2      PRO  37  -2.753  25.902  -6.029
  262    HD3  PRO  37           HD1      PRO  37  -3.844  25.976  -7.430
  263    H    GLN  38           H        GLN  38  -3.138  20.833  -5.779
  264    HA   GLN  38           HA       GLN  38  -1.655  21.304  -3.280
  265    HB2  GLN  38           HB2      GLN  38  -4.249  19.814  -3.712
  266    HB3  GLN  38           HB1      GLN  38  -3.360  19.839  -2.195
  267    HG2  GLN  38           HG2      GLN  38  -3.657  22.260  -2.064
  268    HG3  GLN  38           HG1      GLN  38  -4.557  22.229  -3.580
  269   HE21  GLN  38          HE21      GLN  38  -6.624  21.363  -3.615
  270   HE22  GLN  38          HE22      GLN  38  -7.532  21.082  -2.170
  271    HA   PRO  39           HA       PRO  39   0.748  17.676  -4.253
  272    HB2  PRO  39           HB2      PRO  39   0.860  17.478  -1.288
  273    HB3  PRO  39           HB1      PRO  39   2.175  17.491  -2.466
  274    HG2  PRO  39           HG2      PRO  39   1.673  19.632  -0.967
  275    HG3  PRO  39           HG1      PRO  39   2.151  19.800  -2.668
  276    HD2  PRO  39           HD2      PRO  39  -0.549  20.071  -1.418
  277    HD3  PRO  39           HD1      PRO  39   0.183  20.999  -2.744
  278    H    SER  40           H        SER  40  -1.922  17.751  -2.006
  279    HA   SER  40           HA       SER  40  -2.288  14.944  -1.789
  280    HB2  SER  40           HB2      SER  40  -3.237  16.568  -0.162
  281    HB3  SER  40           HB1      SER  40  -4.318  17.166  -1.420
  282    HG   SER  40           HG       SER  40  -4.299  14.647  -0.134
  283    H    HIS  41           H        HIS  41  -2.116  14.212  -3.923
  284    HA   HIS  41           HA       HIS  41  -4.625  14.014  -5.274
  285    HB2  HIS  41           HB2      HIS  41  -3.707  16.218  -6.114
  286    HB3  HIS  41           HB1      HIS  41  -2.371  15.313  -6.819
  287    HD1  HIS  41           HD1      HIS  41  -2.767  14.271  -9.080
  288    HD2  HIS  41           HD2      HIS  41  -6.273  15.589  -7.281
  289    HE1  HIS  41           HE1      HIS  41  -4.555  14.011 -10.816
  290    HE2  HIS  41           HE2      HIS  41  -6.692  14.649  -9.650
  291    H    ILE  42           H        ILE  42  -4.306  11.833  -4.916
  292    HA   ILE  42           HA       ILE  42  -1.864  10.533  -5.683
  293    HB   ILE  42           HB       ILE  42  -4.507   9.394  -4.759
  294   HG12  ILE  42          HG12      ILE  42  -3.035   8.713  -2.772
  295   HG13  ILE  42          HG11      ILE  42  -1.840   9.832  -3.409
  296   HG21  ILE  42          HG21      ILE  42  -1.916   7.957  -5.314
  297   HG22  ILE  42          HG22      ILE  42  -3.409   7.813  -6.242
  298   HG23  ILE  42          HG23      ILE  42  -3.349   7.243  -4.573
  299   HD11  ILE  42          HD11      ILE  42  -4.625  10.541  -2.518
  300   HD12  ILE  42          HD12      ILE  42  -3.428  11.669  -3.157
  301   HD13  ILE  42          HD13      ILE  42  -3.132  10.843  -1.626
  302    H    SER  43           H        SER  43  -1.356   9.824  -7.595
  303    HA   SER  43           HA       SER  43  -3.229   9.887  -9.779
  304    HB2  SER  43           HB2      SER  43  -0.367   8.897  -9.701
  305    HB3  SER  43           HB1      SER  43  -1.297   9.298 -11.145
  306    HG   SER  43           HG       SER  43  -1.421  11.473 -10.262
  307    H    LYS  44           H        LYS  44  -1.441   7.428  -7.957
  308    HA   LYS  44           HA       LYS  44  -3.400   5.421  -8.529
  309    HB2  LYS  44           HB2      LYS  44  -1.878   3.863  -9.686
  310    HB3  LYS  44           HB1      LYS  44  -2.169   5.318 -10.631
  311    HG2  LYS  44           HG2      LYS  44  -0.001   6.215  -9.855
  312    HG3  LYS  44           HG1      LYS  44   0.291   4.695  -9.003
  313    HD2  LYS  44           HD2      LYS  44   0.222   3.478 -11.100
  314    HD3  LYS  44           HD1      LYS  44  -0.158   4.963 -11.974
  315    HE2  LYS  44           HE2      LYS  44   1.991   5.910 -11.330
  316    HE3  LYS  44           HE1      LYS  44   2.369   4.457 -10.405
  317    HZ1  LYS  44           HZ1      LYS  44   1.901   4.528 -13.337
  318    HZ2  LYS  44           HZ2      LYS  44   2.366   3.179 -12.429
  319    HZ3  LYS  44           HZ3      LYS  44   3.422   4.487 -12.601
  320    H    TYR  45           H        TYR  45  -3.042   3.473  -7.361
  321    HA   TYR  45           HA       TYR  45  -0.964   3.664  -5.271
  322    HB2  TYR  45           HB2      TYR  45  -3.570   2.124  -5.167
  323    HB3  TYR  45           HB1      TYR  45  -2.389   2.250  -3.875
  324    HD1  TYR  45           HD1      TYR  45  -5.298   3.692  -5.387
  325    HD2  TYR  45           HD2      TYR  45  -2.021   4.524  -2.806
  326    HE1  TYR  45           HE1      TYR  45  -6.517   5.621  -4.472
  327    HE2  TYR  45           HE2      TYR  45  -3.228   6.459  -1.888
  328    HH   TYR  45           HH       TYR  45  -5.074   8.024  -2.677
  329    H    ILE  46           H        ILE  46   0.505   2.019  -5.188
  330    HA   ILE  46           HA       ILE  46   0.006  -0.255  -6.992
  331    HB   ILE  46           HB       ILE  46   2.624   0.913  -6.043
  332   HG12  ILE  46          HG12      ILE  46   3.054   0.903  -8.555
  333   HG13  ILE  46          HG11      ILE  46   1.347   0.529  -8.755
  334   HG21  ILE  46          HG21      ILE  46   2.788  -1.511  -5.878
  335   HG22  ILE  46          HG22      ILE  46   3.754  -0.916  -7.227
  336   HG23  ILE  46          HG23      ILE  46   2.193  -1.677  -7.530
  337   HD11  ILE  46          HD11      ILE  46   0.780   2.629  -7.615
  338   HD12  ILE  46          HD12      ILE  46   1.736   2.883  -9.074
  339   HD13  ILE  46          HD13      ILE  46   2.498   3.002  -7.489
  340    H    LEU  47           H        LEU  47  -0.470  -2.101  -6.107
  341    HA   LEU  47           HA       LEU  47   0.060  -2.503  -3.250
  342    HB2  LEU  47           HB2      LEU  47  -2.255  -2.776  -4.551
  343    HB3  LEU  47           HB1      LEU  47  -1.611  -4.364  -4.894
  344    HG   LEU  47           HG       LEU  47  -3.106  -4.492  -3.012
  345   HD11  LEU  47          HD11      LEU  47  -1.244  -5.997  -2.886
  346   HD12  LEU  47          HD12      LEU  47  -1.613  -5.403  -1.268
  347   HD13  LEU  47          HD13      LEU  47  -0.231  -4.754  -2.152
  348   HD21  LEU  47          HD21      LEU  47  -2.988  -2.179  -2.281
  349   HD22  LEU  47          HD22      LEU  47  -1.354  -2.442  -1.668
  350   HD23  LEU  47          HD23      LEU  47  -2.721  -3.287  -0.936
  351    H    ARG  48           H        ARG  48   1.863  -3.577  -2.819
  352    HA   ARG  48           HA       ARG  48   2.688  -5.760  -4.626
  353    HB2  ARG  48           HB2      ARG  48   4.306  -4.002  -2.784
  354    HB3  ARG  48           HB1      ARG  48   4.942  -5.483  -3.472
  355    HG2  ARG  48           HG2      ARG  48   4.637  -4.567  -5.701
  356    HG3  ARG  48           HG1      ARG  48   3.976  -3.085  -5.008
  357    HD2  ARG  48           HD2      ARG  48   6.080  -2.681  -3.846
  358    HD3  ARG  48           HD1      ARG  48   6.743  -4.178  -4.500
  359    HE   ARG  48           HE       ARG  48   6.017  -2.808  -6.712
  360   HH11  ARG  48          HH11      ARG  48   7.951  -1.952  -3.920
  361   HH12  ARG  48          HH12      ARG  48   8.989  -0.885  -4.808
  362   HH21  ARG  48          HH21      ARG  48   7.384  -1.420  -7.885
  363   HH22  ARG  48          HH22      ARG  48   8.664  -0.576  -7.069
  364    H    TRP  49           H        TRP  49   2.733  -7.807  -3.817
  365    HA   TRP  49           HA       TRP  49   2.843  -8.132  -0.919
  366    HB2  TRP  49           HB2      TRP  49   0.979  -9.671  -0.845
  367    HB3  TRP  49           HB1      TRP  49   0.449  -8.135  -1.510
  368    HD1  TRP  49           HD1      TRP  49   0.719 -11.805  -2.319
  369    HE1  TRP  49           HE1      TRP  49  -0.409 -12.268  -4.582
  370    HE3  TRP  49           HE3      TRP  49   0.047  -6.989  -3.885
  371    HZ2  TRP  49           HZ2      TRP  49  -1.443 -10.783  -6.753
  372    HZ3  TRP  49           HZ3      TRP  49  -1.019  -6.595  -6.065
  373    HH2  TRP  49           HH2      TRP  49  -1.746  -8.453  -7.468
  374    H    ARG  50           H        ARG  50   3.607 -10.101  -0.183
  375    HA   ARG  50           HA       ARG  50   4.416 -12.165  -2.063
  376    HB2  ARG  50           HB2      ARG  50   6.754 -12.109  -1.500
  377    HB3  ARG  50           HB1      ARG  50   6.307 -10.489  -2.017
  378    HG2  ARG  50           HG2      ARG  50   6.305  -9.704   0.221
  379    HG3  ARG  50           HG1      ARG  50   6.445 -11.344   0.859
  380    HD2  ARG  50           HD2      ARG  50   8.627 -11.404  -0.562
  381    HD3  ARG  50           HD1      ARG  50   8.500  -9.646  -0.482
  382    HE   ARG  50           HE       ARG  50   8.267 -10.995   2.047
  383   HH11  ARG  50          HH11      ARG  50  10.485  -9.584  -0.259
  384   HH12  ARG  50          HH12      ARG  50  11.696  -9.230   0.930
  385   HH21  ARG  50          HH21      ARG  50   9.873 -10.540   3.619
  386   HH22  ARG  50          HH22      ARG  50  11.353  -9.775   3.129
  387    HA   PRO  51           HA       PRO  51   3.714 -14.773   1.526
  388    HB2  PRO  51           HB2      PRO  51   5.797 -16.570   1.201
  389    HB3  PRO  51           HB1      PRO  51   4.225 -16.696   0.408
  390    HG2  PRO  51           HG2      PRO  51   6.807 -15.633  -0.653
  391    HG3  PRO  51           HG1      PRO  51   5.569 -16.605  -1.473
  392    HD2  PRO  51           HD2      PRO  51   5.787 -13.961  -1.891
  393    HD3  PRO  51           HD1      PRO  51   4.207 -14.770  -1.862
  394    H    LYS  52           H        LYS  52   4.197 -14.055   3.488
  395    HA   LYS  52           HA       LYS  52   6.512 -12.496   4.014
  396    HB2  LYS  52           HB2      LYS  52   4.265 -12.135   5.018
  397    HB3  LYS  52           HB1      LYS  52   4.463 -13.612   5.940
  398    HG2  LYS  52           HG2      LYS  52   6.489 -11.451   6.239
  399    HG3  LYS  52           HG1      LYS  52   4.912 -11.272   7.008
  400    HD2  LYS  52           HD2      LYS  52   5.249 -13.433   8.143
  401    HD3  LYS  52           HD1      LYS  52   6.851 -13.548   7.409
  402    HE2  LYS  52           HE2      LYS  52   7.544 -11.520   8.551
  403    HE3  LYS  52           HE1      LYS  52   5.930 -11.329   9.226
  404    HZ1  LYS  52           HZ1      LYS  52   6.223 -13.375  10.453
  405    HZ2  LYS  52           HZ2      LYS  52   7.460 -12.285  10.822
  406    HZ3  LYS  52           HZ3      LYS  52   7.767 -13.586   9.790
  407    H    ASN  53           H        ASN  53   5.726 -15.834   4.467
  408    HA   ASN  53           HA       ASN  53   7.672 -16.390   6.476
  409    HB2  ASN  53           HB2      ASN  53   7.220 -18.784   5.871
  410    HB3  ASN  53           HB1      ASN  53   5.786 -17.854   6.295
  411   HD21  ASN  53          HD21      ASN  53   7.477 -19.529   3.793
  412   HD22  ASN  53          HD22      ASN  53   6.217 -19.451   2.610
  413    H    SER  54           H        SER  54   7.951 -15.745   3.187
  414    HA   SER  54           HA       SER  54  10.725 -16.678   3.235
  415    HB2  SER  54           HB2      SER  54   8.830 -17.128   0.912
  416    HB3  SER  54           HB1      SER  54  10.548 -17.521   0.932
  417    HG   SER  54           HG       SER  54   9.893 -18.833   2.893
  418    H    VAL  55           H        VAL  55  11.556 -15.781   0.759
  419    HA   VAL  55           HA       VAL  55  11.013 -12.937   0.884
  420    HB   VAL  55           HB       VAL  55  13.344 -13.703   0.624
  421   HG11  VAL  55          HG11      VAL  55  14.077 -14.567  -1.588
  422   HG12  VAL  55          HG12      VAL  55  12.381 -14.776  -2.021
  423   HG13  VAL  55          HG13      VAL  55  13.070 -15.692  -0.681
  424   HG21  VAL  55          HG21      VAL  55  13.952 -12.199  -1.203
  425   HG22  VAL  55          HG22      VAL  55  12.711 -11.507  -0.158
  426   HG23  VAL  55          HG23      VAL  55  12.269 -12.176  -1.728
  427    H    GLY  56           H        GLY  56  10.527 -15.703  -1.228
  428    HA2  GLY  56           HA2      GLY  56   9.139 -16.054  -3.009
  429    HA3  GLY  56           HA1      GLY  56   8.089 -14.885  -2.229
  430    H    ARG  57           H        ARG  57   7.358 -13.908  -4.037
  431    HA   ARG  57           HA       ARG  57   9.266 -12.156  -5.397
  432    HB2  ARG  57           HB2      ARG  57   7.218 -13.925  -6.732
  433    HB3  ARG  57           HB1      ARG  57   7.979 -12.559  -7.535
  434    HG2  ARG  57           HG2      ARG  57  10.143 -13.590  -7.342
  435    HG3  ARG  57           HG1      ARG  57   9.464 -14.912  -6.390
  436    HD2  ARG  57           HD2      ARG  57   8.642 -14.254  -9.208
  437    HD3  ARG  57           HD1      ARG  57   9.853 -15.463  -8.791
  438    HE   ARG  57           HE       ARG  57   7.913 -16.462  -7.420
  439   HH11  ARG  57          HH11      ARG  57   7.540 -14.812 -10.490
  440   HH12  ARG  57          HH12      ARG  57   6.154 -15.740 -10.961
  441   HH21  ARG  57          HH21      ARG  57   6.092 -17.681  -8.042
  442   HH22  ARG  57          HH22      ARG  57   5.332 -17.375  -9.571
  443    H    TRP  58           H        TRP  58   8.481 -10.113  -5.746
  444    HA   TRP  58           HA       TRP  58   6.011  -9.429  -4.429
  445    HB2  TRP  58           HB2      TRP  58   8.052  -7.765  -5.907
  446    HB3  TRP  58           HB1      TRP  58   6.599  -7.088  -5.186
  447    HD1  TRP  58           HD1      TRP  58  10.120  -7.948  -4.392
  448    HE1  TRP  58           HE1      TRP  58  10.580  -7.585  -1.886
  449    HE3  TRP  58           HE3      TRP  58   5.305  -7.433  -2.750
  450    HZ2  TRP  58           HZ2      TRP  58   9.096  -7.144   0.475
  451    HZ3  TRP  58           HZ3      TRP  58   4.913  -7.045  -0.352
  452    HH2  TRP  58           HH2      TRP  58   6.770  -6.905   1.226
  453    H    LYS  59           H        LYS  59   4.114  -9.671  -5.414
  454    HA   LYS  59           HA       LYS  59   3.877  -9.290  -8.293
  455    HB2  LYS  59           HB2      LYS  59   1.783  -9.915  -6.199
  456    HB3  LYS  59           HB1      LYS  59   1.478  -9.823  -7.925
  457    HG2  LYS  59           HG2      LYS  59   3.024 -11.705  -8.276
  458    HG3  LYS  59           HG1      LYS  59   3.252 -11.815  -6.531
  459    HD2  LYS  59           HD2      LYS  59   0.834 -12.213  -6.264
  460    HD3  LYS  59           HD1      LYS  59   0.647 -12.158  -8.017
  461    HE2  LYS  59           HE2      LYS  59   0.724 -14.453  -7.331
  462    HE3  LYS  59           HE1      LYS  59   2.217 -14.076  -8.188
  463    HZ1  LYS  59           HZ1      LYS  59   2.577 -15.390  -6.166
  464    HZ2  LYS  59           HZ2      LYS  59   1.935 -14.132  -5.234
  465    HZ3  LYS  59           HZ3      LYS  59   3.365 -13.894  -6.100
  466    H    GLU  60           H        GLU  60   2.938  -7.491  -9.245
  467    HA   GLU  60           HA       GLU  60   2.348  -5.284  -7.385
  468    HB2  GLU  60           HB2      GLU  60   3.449  -5.082 -10.191
  469    HB3  GLU  60           HB1      GLU  60   3.136  -3.737  -9.104
  470    HG2  GLU  60           HG2      GLU  60   4.801  -4.834  -7.531
  471    HG3  GLU  60           HG1      GLU  60   5.249  -5.852  -8.896
  472    H    ALA  61           H        ALA  61   0.336  -4.596  -7.383
  473    HA   ALA  61           HA       ALA  61  -1.239  -4.813  -9.868
  474    HB1  ALA  61           HB1      ALA  61  -3.240  -4.814  -8.464
  475    HB2  ALA  61           HB2      ALA  61  -2.234  -4.706  -7.020
  476    HB3  ALA  61           HB3      ALA  61  -2.166  -6.146  -8.036
  477    H    THR  62           H        THR  62  -2.126  -2.975 -10.696
  478    HA   THR  62           HA       THR  62  -1.371  -0.472  -9.358
  479    HB   THR  62           HB       THR  62  -2.265  -0.788 -12.227
  480    HG1  THR  62           HG1      THR  62  -0.050  -1.721 -11.138
  481   HG21  THR  62          HG21      THR  62  -1.107   1.347 -12.531
  482   HG22  THR  62          HG22      THR  62  -0.670   1.362 -10.823
  483   HG23  THR  62          HG23      THR  62  -2.362   1.488 -11.300
  484    H    ILE  63           H        ILE  63  -2.913   0.526  -8.279
  485    HA   ILE  63           HA       ILE  63  -5.722   0.130  -9.084
  486    HB   ILE  63           HB       ILE  63  -4.612   0.980  -6.395
  487   HG12  ILE  63          HG12      ILE  63  -5.822  -1.240  -5.744
  488   HG13  ILE  63          HG11      ILE  63  -5.625  -1.638  -7.444
  489   HG21  ILE  63          HG21      ILE  63  -7.461   0.401  -7.184
  490   HG22  ILE  63          HG22      ILE  63  -6.786   2.002  -6.890
  491   HG23  ILE  63          HG23      ILE  63  -6.891   0.833  -5.572
  492   HD11  ILE  63          HD11      ILE  63  -3.843  -2.591  -6.123
  493   HD12  ILE  63          HD12      ILE  63  -3.423  -0.995  -5.498
  494   HD13  ILE  63          HD13      ILE  63  -3.205  -1.358  -7.211
  495    HA   PRO  64           HA       PRO  64  -5.731   4.434 -10.429
  496    HB2  PRO  64           HB2      PRO  64  -8.625   4.020  -9.834
  497    HB3  PRO  64           HB1      PRO  64  -7.861   4.711 -11.270
  498    HG2  PRO  64           HG2      PRO  64  -8.851   2.241 -11.317
  499    HG3  PRO  64           HG1      PRO  64  -7.337   2.631 -12.152
  500    HD2  PRO  64           HD2      PRO  64  -7.765   1.171  -9.590
  501    HD3  PRO  64           HD1      PRO  64  -6.532   0.922 -10.840
  502    H    GLY  65           H        GLY  65  -5.676   6.319  -9.314
  503    HA2  GLY  65           HA2      GLY  65  -5.663   6.130  -6.458
  504    HA3  GLY  65           HA1      GLY  65  -5.283   7.553  -7.411
  505    H    HIS  66           H        HIS  66  -8.240   5.612  -7.131
  506    HA   HIS  66           HA       HIS  66  -9.572   7.628  -5.591
  507    HB2  HIS  66           HB2      HIS  66 -11.404   7.989  -7.286
  508    HB3  HIS  66           HB1      HIS  66  -9.866   8.746  -7.672
  509    HD1  HIS  66           HD1      HIS  66  -9.041   8.359  -9.980
  510    HD2  HIS  66           HD2      HIS  66 -11.772   5.455  -8.799
  511    HE1  HIS  66           HE1      HIS  66  -9.426   6.930 -12.009
  512    HE2  HIS  66           HE2      HIS  66 -11.174   5.258 -11.308
  513    H    LEU  67           H        LEU  67  -9.040   4.527  -6.223
  514    HA   LEU  67           HA       LEU  67 -11.777   3.610  -5.744
  515    HB2  LEU  67           HB2      LEU  67  -9.257   2.009  -6.185
  516    HB3  LEU  67           HB1      LEU  67 -10.864   1.338  -6.002
  517    HG   LEU  67           HG       LEU  67  -9.844   3.011  -8.291
  518   HD11  LEU  67          HD11      LEU  67 -10.886   0.188  -8.205
  519   HD12  LEU  67          HD12      LEU  67  -9.184   0.638  -8.245
  520   HD13  LEU  67          HD13      LEU  67 -10.230   1.036  -9.606
  521   HD21  LEU  67          HD21      LEU  67 -12.628   1.953  -7.813
  522   HD22  LEU  67          HD22      LEU  67 -12.057   2.733  -9.289
  523   HD23  LEU  67          HD23      LEU  67 -12.144   3.647  -7.784
  524    H    ASN  68           H        ASN  68  -8.550   3.291  -4.351
  525    HA   ASN  68           HA       ASN  68  -7.783   3.130  -2.239
  526    HB2  ASN  68           HB2      ASN  68 -10.508   4.264  -1.623
  527    HB3  ASN  68           HB1      ASN  68  -9.257   4.028  -0.403
  528   HD21  ASN  68          HD21      ASN  68  -7.418   5.298  -0.451
  529   HD22  ASN  68          HD22      ASN  68  -7.313   6.748  -1.388
  530    H    SER  69           H        SER  69  -9.348   0.938  -3.513
  531    HA   SER  69           HA       SER  69  -9.070  -0.908  -1.363
  532    HB2  SER  69           HB2      SER  69 -11.477  -1.774  -1.660
  533    HB3  SER  69           HB1      SER  69 -11.267  -0.304  -0.707
  534    HG   SER  69           HG       SER  69 -11.821   0.894  -2.580
  535    H    TYR  70           H        TYR  70  -8.800  -3.014  -2.163
  536    HA   TYR  70           HA       TYR  70  -9.258  -3.440  -5.016
  537    HB2  TYR  70           HB2      TYR  70  -6.986  -2.444  -4.785
  538    HB3  TYR  70           HB1      TYR  70  -6.524  -3.802  -3.762
  539    HD1  TYR  70           HD1      TYR  70  -5.593  -5.696  -4.730
  540    HD2  TYR  70           HD2      TYR  70  -7.841  -3.034  -7.167
  541    HE1  TYR  70           HE1      TYR  70  -4.929  -6.972  -6.725
  542    HE2  TYR  70           HE2      TYR  70  -7.188  -4.304  -9.168
  543    HH   TYR  70           HH       TYR  70  -5.800  -7.362  -9.039
  544    H    THR  71           H        THR  71  -9.599  -5.548  -5.563
  545    HA   THR  71           HA       THR  71  -9.637  -7.492  -3.383
  546    HB   THR  71           HB       THR  71 -10.660  -7.845  -6.209
  547    HG1  THR  71           HG1      THR  71 -11.605  -6.135  -4.614
  548   HG21  THR  71          HG21      THR  71 -10.282  -9.935  -4.994
  549   HG22  THR  71          HG22      THR  71 -12.007  -9.641  -5.208
  550   HG23  THR  71          HG23      THR  71 -11.247  -9.336  -3.646
  551    H    ILE  72           H        ILE  72  -7.583  -8.229  -3.106
  552    HA   ILE  72           HA       ILE  72  -5.844  -8.798  -5.330
  553    HB   ILE  72           HB       ILE  72  -5.479  -9.661  -2.458
  554   HG12  ILE  72          HG12      ILE  72  -4.510  -7.123  -3.795
  555   HG13  ILE  72          HG11      ILE  72  -5.807  -7.209  -2.607
  556   HG21  ILE  72          HG21      ILE  72  -3.100  -9.708  -3.052
  557   HG22  ILE  72          HG22      ILE  72  -3.508  -9.257  -4.707
  558   HG23  ILE  72          HG23      ILE  72  -4.045 -10.806  -4.057
  559   HD11  ILE  72          HD11      ILE  72  -2.890  -7.785  -2.185
  560   HD12  ILE  72          HD12      ILE  72  -4.139  -8.151  -0.997
  561   HD13  ILE  72          HD13      ILE  72  -3.850  -6.477  -1.482
  562    H    LYS  73           H        LYS  73  -6.163 -10.531  -6.571
  563    HA   LYS  73           HA       LYS  73  -7.380 -12.913  -5.362
  564    HB2  LYS  73           HB2      LYS  73  -7.180 -12.118  -8.277
  565    HB3  LYS  73           HB1      LYS  73  -7.985 -13.557  -7.662
  566    HG2  LYS  73           HG2      LYS  73  -9.546 -12.117  -6.410
  567    HG3  LYS  73           HG1      LYS  73  -8.769 -10.701  -7.118
  568    HD2  LYS  73           HD2      LYS  73  -9.398 -11.468  -9.352
  569    HD3  LYS  73           HD1      LYS  73 -10.165 -12.895  -8.647
  570    HE2  LYS  73           HE2      LYS  73 -11.691 -11.416  -7.393
  571    HE3  LYS  73           HE1      LYS  73 -10.956 -10.021  -8.182
  572    HZ1  LYS  73           HZ1      LYS  73 -12.408 -12.222  -9.551
  573    HZ2  LYS  73           HZ2      LYS  73 -11.691 -10.894 -10.317
  574    HZ3  LYS  73           HZ3      LYS  73 -12.999 -10.662  -9.275
  575    H    GLY  74           H        GLY  74  -6.127 -14.604  -4.990
  576    HA2  GLY  74           HA2      GLY  74  -4.490 -16.163  -6.097
  577    HA3  GLY  74           HA1      GLY  74  -3.524 -14.724  -6.387
  578    H    LEU  75           H        LEU  75  -5.261 -14.859  -3.439
  579    HA   LEU  75           HA       LEU  75  -2.735 -15.218  -1.989
  580    HB2  LEU  75           HB2      LEU  75  -5.376 -14.052  -1.099
  581    HB3  LEU  75           HB1      LEU  75  -3.951 -14.196  -0.089
  582    HG   LEU  75           HG       LEU  75  -4.110 -12.522  -2.597
  583   HD11  LEU  75          HD11      LEU  75  -4.282 -11.767   0.310
  584   HD12  LEU  75          HD12      LEU  75  -5.541 -11.594  -0.913
  585   HD13  LEU  75          HD13      LEU  75  -4.070 -10.626  -1.016
  586   HD21  LEU  75          HD21      LEU  75  -1.990 -12.774  -0.467
  587   HD22  LEU  75          HD22      LEU  75  -1.996 -11.575  -1.759
  588   HD23  LEU  75          HD23      LEU  75  -1.857 -13.289  -2.149
  589    H    LYS  76           H        LYS  76  -2.420 -16.961  -0.742
  590    HA   LYS  76           HA       LYS  76  -4.500 -18.988  -0.713
  591    HB2  LYS  76           HB2      LYS  76  -1.676 -19.116   0.361
  592    HB3  LYS  76           HB1      LYS  76  -2.751 -20.477   0.062
  593    HG2  LYS  76           HG2      LYS  76  -2.669 -20.102  -2.306
  594    HG3  LYS  76           HG1      LYS  76  -1.748 -18.614  -2.077
  595    HD2  LYS  76           HD2      LYS  76   0.050 -19.987  -1.020
  596    HD3  LYS  76           HD1      LYS  76  -0.851 -21.428  -1.489
  597    HE2  LYS  76           HE2      LYS  76   0.213 -19.317  -3.360
  598    HE3  LYS  76           HE1      LYS  76   0.919 -20.908  -3.094
  599    HZ1  LYS  76           HZ1      LYS  76  -1.184 -21.874  -3.917
  600    HZ2  LYS  76           HZ2      LYS  76  -0.381 -20.950  -5.080
  601    HZ3  LYS  76           HZ3      LYS  76  -1.734 -20.318  -4.290
  602    HA   PRO  77           HA       PRO  77  -5.901 -17.680   3.339
  603    HB2  PRO  77           HB2      PRO  77  -7.164 -20.362   3.294
  604    HB3  PRO  77           HB1      PRO  77  -7.897 -18.778   3.564
  605    HG2  PRO  77           HG2      PRO  77  -8.254 -20.078   1.266
  606    HG3  PRO  77           HG1      PRO  77  -8.051 -18.316   1.300
  607    HD2  PRO  77           HD2      PRO  77  -6.083 -20.440   0.548
  608    HD3  PRO  77           HD1      PRO  77  -6.357 -18.843  -0.179
  609    H    GLY  78           H        GLY  78  -4.646 -17.791   5.069
  610    HA2  GLY  78           HA2      GLY  78  -3.951 -19.016   7.015
  611    HA3  GLY  78           HA1      GLY  78  -3.758 -20.438   6.000
  612    H    VAL  79           H        VAL  79  -2.512 -18.349   4.027
  613    HA   VAL  79           HA       VAL  79   0.206 -18.707   5.034
  614    HB   VAL  79           HB       VAL  79  -0.773 -17.769   2.326
  615   HG11  VAL  79          HG11      VAL  79   1.424 -16.865   2.800
  616   HG12  VAL  79          HG12      VAL  79   1.537 -18.144   1.589
  617   HG13  VAL  79          HG13      VAL  79   2.007 -18.467   3.257
  618   HG21  VAL  79          HG21      VAL  79   0.338 -20.427   3.205
  619   HG22  VAL  79          HG22      VAL  79  -0.007 -19.966   1.540
  620   HG23  VAL  79          HG23      VAL  79  -1.322 -20.096   2.710
  621    H    VAL  80           H        VAL  80   1.362 -17.075   5.849
  622    HA   VAL  80           HA       VAL  80   0.183 -14.476   6.110
  623    HB   VAL  80           HB       VAL  80   1.500 -15.387   7.944
  624   HG11  VAL  80          HG11      VAL  80   3.772 -15.361   5.980
  625   HG12  VAL  80          HG12      VAL  80   3.118 -16.733   6.871
  626   HG13  VAL  80          HG13      VAL  80   4.001 -15.469   7.723
  627   HG21  VAL  80          HG21      VAL  80   2.779 -12.950   6.715
  628   HG22  VAL  80          HG22      VAL  80   2.945 -13.454   8.397
  629   HG23  VAL  80          HG23      VAL  80   1.366 -12.979   7.772
  630    H    TYR  81           H        TYR  81   0.503 -12.720   4.890
  631    HA   TYR  81           HA       TYR  81   2.665 -12.813   2.888
  632    HB2  TYR  81           HB2      TYR  81  -0.147 -11.757   2.606
  633    HB3  TYR  81           HB1      TYR  81   1.138 -11.379   1.467
  634    HD1  TYR  81           HD1      TYR  81  -1.306 -13.832   2.522
  635    HD2  TYR  81           HD2      TYR  81   2.132 -13.208   0.095
  636    HE1  TYR  81           HE1      TYR  81  -1.847 -15.861   1.241
  637    HE2  TYR  81           HE2      TYR  81   1.603 -15.236  -1.187
  638    HH   TYR  81           HH       TYR  81   0.346 -17.336  -0.873
  639    H    GLU  82           H        GLU  82   3.604 -10.865   2.294
  640    HA   GLU  82           HA       GLU  82   3.365  -8.669   4.235
  641    HB2  GLU  82           HB2      GLU  82   5.516  -9.543   2.317
  642    HB3  GLU  82           HB1      GLU  82   5.494  -7.903   2.946
  643    HG2  GLU  82           HG2      GLU  82   5.478 -10.307   4.735
  644    HG3  GLU  82           HG1      GLU  82   6.967  -9.580   4.134
  645    H    GLY  83           H        GLY  83   2.348  -6.850   3.608
  646    HA2  GLY  83           HA2      GLY  83   1.888  -6.505   0.708
  647    HA3  GLY  83           HA1      GLY  83   0.686  -6.110   1.928
  648    H    GLN  84           H        GLN  84   2.130  -4.517  -0.182
  649    HA   GLN  84           HA       GLN  84   2.816  -2.289   1.613
  650    HB2  GLN  84           HB2      GLN  84   4.219  -2.893  -0.996
  651    HB3  GLN  84           HB1      GLN  84   4.564  -1.556   0.090
  652    HG2  GLN  84           HG2      GLN  84   5.279  -3.154   1.807
  653    HG3  GLN  84           HG1      GLN  84   4.974  -4.479   0.683
  654   HE21  GLN  84          HE21      GLN  84   6.279  -4.664  -1.166
  655   HE22  GLN  84          HE22      GLN  84   7.853  -3.955  -1.234
  656    H    LEU  85           H        LEU  85   1.527  -0.616   1.271
  657    HA   LEU  85           HA       LEU  85   0.207  -0.345  -1.338
  658    HB2  LEU  85           HB2      LEU  85  -1.164  -0.395   0.788
  659    HB3  LEU  85           HB1      LEU  85  -0.414   1.121   1.233
  660    HG   LEU  85           HG       LEU  85  -2.739   1.277   0.258
  661   HD11  LEU  85          HD11      LEU  85  -1.204   3.204   0.342
  662   HD12  LEU  85          HD12      LEU  85  -2.296   3.255  -1.042
  663   HD13  LEU  85          HD13      LEU  85  -0.614   2.774  -1.265
  664   HD21  LEU  85          HD21      LEU  85  -1.304   0.621  -2.308
  665   HD22  LEU  85          HD22      LEU  85  -2.988   1.116  -2.144
  666   HD23  LEU  85          HD23      LEU  85  -2.455  -0.425  -1.477
  667    H    ILE  86           H        ILE  86   1.366   0.850  -2.689
  668    HA   ILE  86           HA       ILE  86   2.986   3.055  -1.624
  669    HB   ILE  86           HB       ILE  86   3.042   1.962  -4.433
  670   HG12  ILE  86          HG12      ILE  86   4.921   1.154  -2.219
  671   HG13  ILE  86          HG11      ILE  86   3.464   0.237  -2.579
  672   HG21  ILE  86          HG21      ILE  86   5.093   3.472  -2.810
  673   HG22  ILE  86          HG22      ILE  86   4.075   4.163  -4.074
  674   HG23  ILE  86          HG23      ILE  86   5.278   2.939  -4.481
  675   HD11  ILE  86          HD11      ILE  86   5.477  -0.700  -3.616
  676   HD12  ILE  86          HD12      ILE  86   5.673   0.791  -4.539
  677   HD13  ILE  86          HD13      ILE  86   4.255  -0.229  -4.797
  678    H    SER  87           H        SER  87   1.826   4.889  -1.524
  679    HA   SER  87           HA       SER  87  -0.160   5.471  -3.556
  680    HB2  SER  87           HB2      SER  87  -0.437   7.588  -2.101
  681    HB3  SER  87           HB1      SER  87  -0.913   6.040  -1.406
  682    HG   SER  87           HG       SER  87   0.896   7.775  -0.503
  683    H    ILE  88           H        ILE  88   0.462   6.319  -5.398
  684    HA   ILE  88           HA       ILE  88   2.854   7.999  -5.542
  685    HB   ILE  88           HB       ILE  88   1.082   7.072  -7.809
  686   HG12  ILE  88          HG12      ILE  88   1.978   5.118  -6.625
  687   HG13  ILE  88          HG11      ILE  88   2.716   5.288  -8.212
  688   HG21  ILE  88          HG21      ILE  88   3.063   7.529  -9.195
  689   HG22  ILE  88          HG22      ILE  88   3.902   8.138  -7.768
  690   HG23  ILE  88          HG23      ILE  88   2.469   8.970  -8.371
  691   HD11  ILE  88          HD11      ILE  88   3.965   6.100  -5.599
  692   HD12  ILE  88          HD12      ILE  88   4.708   6.233  -7.193
  693   HD13  ILE  88          HD13      ILE  88   4.340   4.645  -6.523
  694    H    GLN  89           H        GLN  89   2.532  10.134  -5.206
  695    HA   GLN  89           HA       GLN  89  -0.058  11.252  -5.988
  696    HB2  GLN  89           HB2      GLN  89   2.047  12.203  -4.072
  697    HB3  GLN  89           HB1      GLN  89   0.757  13.264  -4.628
  698    HG2  GLN  89           HG2      GLN  89  -0.882  11.584  -3.809
  699    HG3  GLN  89           HG1      GLN  89   0.461  10.678  -3.120
  700   HE21  GLN  89          HE21      GLN  89   1.914  13.080  -2.325
  701   HE22  GLN  89          HE22      GLN  89   1.082  13.699  -0.942
  702    H    GLN  90           H        GLN  90  -0.080  13.474  -6.823
  703    HA   GLN  90           HA       GLN  90   0.856  13.494  -9.377
  704    HB2  GLN  90           HB2      GLN  90  -0.934  14.921  -8.385
  705    HB3  GLN  90           HB1      GLN  90   0.319  15.961  -7.729
  706    HG2  GLN  90           HG2      GLN  90   1.037  16.586  -9.919
  707    HG3  GLN  90           HG1      GLN  90  -0.036  15.399 -10.658
  708   HE21  GLN  90          HE21      GLN  90   0.187  18.499  -9.128
  709   HE22  GLN  90          HE22      GLN  90  -1.429  19.013  -9.474
  710    H    TYR  91           H        TYR  91   2.441  15.017  -6.595
  711    HA   TYR  91           HA       TYR  91   4.471  16.239  -8.231
  712    HB2  TYR  91           HB2      TYR  91   4.043  16.081  -5.251
  713    HB3  TYR  91           HB1      TYR  91   5.444  16.869  -5.969
  714    HD1  TYR  91           HD1      TYR  91   5.324  19.104  -6.595
  715    HD2  TYR  91           HD2      TYR  91   1.715  16.931  -6.012
  716    HE1  TYR  91           HE1      TYR  91   4.038  21.180  -6.865
  717    HE2  TYR  91           HE2      TYR  91   0.417  19.003  -6.281
  718    HH   TYR  91           HH       TYR  91   1.702  21.816  -7.562
  719    H    GLY  92           H        GLY  92   4.141  13.165  -7.837
  720    HA2  GLY  92           HA2      GLY  92   5.657  11.449  -8.132
  721    HA3  GLY  92           HA1      GLY  92   6.954  12.632  -8.044
  722    H    HIS  93           H        HIS  93   4.687  12.643  -5.501
  723    HA   HIS  93           HA       HIS  93   6.709  11.786  -3.617
  724    HB2  HIS  93           HB2      HIS  93   4.745  13.640  -3.465
  725    HB3  HIS  93           HB1      HIS  93   3.921  12.273  -2.725
  726    HD1  HIS  93           HD1      HIS  93   4.403  11.863  -0.294
  727    HD2  HIS  93           HD2      HIS  93   7.233  14.327  -2.094
  728    HE1  HIS  93           HE1      HIS  93   5.816  12.764   1.573
  729    HE2  HIS  93           HE2      HIS  93   7.394  14.385   0.482
  730    H    GLN  94           H        GLN  94   6.929   9.711  -3.030
  731    HA   GLN  94           HA       GLN  94   4.633   7.918  -3.471
  732    HB2  GLN  94           HB2      GLN  94   7.563   7.176  -3.495
  733    HB3  GLN  94           HB1      GLN  94   6.210   6.129  -3.895
  734    HG2  GLN  94           HG2      GLN  94   5.709   7.514  -5.841
  735    HG3  GLN  94           HG1      GLN  94   7.064   8.563  -5.441
  736   HE21  GLN  94          HE21      GLN  94   6.610   7.010  -7.853
  737   HE22  GLN  94          HE22      GLN  94   7.963   5.944  -8.005
  738    H    GLU  95           H        GLU  95   3.756   7.195  -1.680
  739    HA   GLU  95           HA       GLU  95   5.457   6.873   0.698
  740    HB2  GLU  95           HB2      GLU  95   2.697   7.825   0.325
  741    HB3  GLU  95           HB1      GLU  95   2.912   6.695   1.653
  742    HG2  GLU  95           HG2      GLU  95   3.100   8.939   2.466
  743    HG3  GLU  95           HG1      GLU  95   4.666   8.142   2.575
  744    H    VAL  96           H        VAL  96   5.989   4.856   1.107
  745    HA   VAL  96           HA       VAL  96   4.289   2.701   0.096
  746    HB   VAL  96           HB       VAL  96   7.053   2.511   1.309
  747   HG11  VAL  96          HG11      VAL  96   5.435   0.499  -0.253
  748   HG12  VAL  96          HG12      VAL  96   5.766   0.448   1.478
  749   HG13  VAL  96          HG13      VAL  96   7.087   0.274   0.322
  750   HG21  VAL  96          HG21      VAL  96   7.814   2.169  -1.033
  751   HG22  VAL  96          HG22      VAL  96   7.198   3.791  -0.720
  752   HG23  VAL  96          HG23      VAL  96   6.199   2.622  -1.584
  753    H    THR  97           H        THR  97   2.716   2.234   1.480
  754    HA   THR  97           HA       THR  97   3.227   2.296   4.354
  755    HB   THR  97           HB       THR  97   0.624   1.600   2.991
  756    HG1  THR  97           HG1      THR  97   1.771   3.796   2.549
  757   HG21  THR  97          HG21      THR  97   1.285   2.745   5.707
  758   HG22  THR  97          HG22      THR  97   0.740   1.101   5.375
  759   HG23  THR  97          HG23      THR  97  -0.342   2.464   5.088
  760    H    ARG  98           H        ARG  98   4.137   0.507   5.162
  761    HA   ARG  98           HA       ARG  98   3.747  -2.037   3.811
  762    HB2  ARG  98           HB2      ARG  98   5.552  -1.216   6.083
  763    HB3  ARG  98           HB1      ARG  98   5.447  -2.860   5.475
  764    HG2  ARG  98           HG2      ARG  98   6.078  -1.929   3.216
  765    HG3  ARG  98           HG1      ARG  98   6.452  -0.419   4.046
  766    HD2  ARG  98           HD2      ARG  98   8.457  -1.774   3.755
  767    HD3  ARG  98           HD1      ARG  98   8.060  -1.593   5.463
  768    HE   ARG  98           HE       ARG  98   6.854  -3.934   4.731
  769   HH11  ARG  98          HH11      ARG  98  10.126  -2.707   4.575
  770   HH12  ARG  98          HH12      ARG  98  10.855  -4.269   4.753
  771   HH21  ARG  98          HH21      ARG  98   7.807  -5.999   4.986
  772   HH22  ARG  98          HH22      ARG  98   9.540  -6.141   4.983
  773    H    PHE  99           H        PHE  99   2.545  -3.650   4.503
  774    HA   PHE  99           HA       PHE  99   1.723  -3.782   7.290
  775    HB2  PHE  99           HB2      PHE  99  -0.649  -4.133   6.687
  776    HB3  PHE  99           HB1      PHE  99  -0.094  -2.520   6.268
  777    HD1  PHE  99           HD1      PHE  99   0.380  -1.977   3.876
  778    HD2  PHE  99           HD2      PHE  99  -1.499  -5.609   5.054
  779    HE1  PHE  99           HE1      PHE  99  -0.454  -2.283   1.585
  780    HE2  PHE  99           HE2      PHE  99  -2.333  -5.923   2.760
  781    HZ   PHE  99           HZ       PHE  99  -1.811  -4.259   1.022
  782    H    ASP 100           H        ASP 100   0.252  -5.884   7.447
  783    HA   ASP 100           HA       ASP 100   1.246  -7.986   5.686
  784    HB2  ASP 100           HB2      ASP 100   1.904  -9.413   7.577
  785    HB3  ASP 100           HB1      ASP 100   2.860  -7.936   7.549
  786    H    PHE 101           H        PHE 101  -0.046  -9.925   5.805
  787    HA   PHE 101           HA       PHE 101  -2.452  -9.786   7.407
  788    HB2  PHE 101           HB2      PHE 101  -3.940 -10.090   5.416
  789    HB3  PHE 101           HB1      PHE 101  -3.220  -8.495   5.572
  790    HD1  PHE 101           HD1      PHE 101  -1.550  -7.724   4.000
  791    HD2  PHE 101           HD2      PHE 101  -3.343 -11.561   3.602
  792    HE1  PHE 101           HE1      PHE 101  -0.733  -7.860   1.684
  793    HE2  PHE 101           HE2      PHE 101  -2.521 -11.707   1.291
  794    HZ   PHE 101           HZ       PHE 101  -1.218  -9.855   0.326
  795    H    THR 102           H        THR 102  -3.542 -11.677   7.624
  796    HA   THR 102           HA       THR 102  -2.779 -14.058   6.164
  797    HB   THR 102           HB       THR 102  -2.531 -14.114   9.175
  798    HG1  THR 102           HG1      THR 102  -0.703 -13.232   7.277
  799   HG21  THR 102          HG21      THR 102  -2.906 -16.252   8.047
  800   HG22  THR 102          HG22      THR 102  -1.282 -16.182   8.731
  801   HG23  THR 102          HG23      THR 102  -1.521 -15.952   6.999
  802    H    THR 103           H        THR 103  -4.386 -12.769   9.026
  803    HA   THR 103           HA       THR 103  -6.976 -13.656   8.129
  804    HB   THR 103           HB       THR 103  -5.822 -14.732  10.722
  805    HG1  THR 103           HG1      THR 103  -5.825 -15.707   8.208
  806   HG21  THR 103          HG21      THR 103  -8.556 -15.126   9.495
  807   HG22  THR 103          HG22      THR 103  -8.200 -14.162  10.928
  808   HG23  THR 103          HG23      THR 103  -7.958 -15.909  10.958
  809    H    THR 104           H        THR 104  -8.408 -12.114   8.718
  810    HA   THR 104           HA       THR 104  -7.498  -9.813  10.107
  811    HB   THR 104           HB       THR 104 -10.378 -10.468   9.477
  812    HG1  THR 104           HG1      THR 104  -9.194  -8.949   7.590
  813   HG21  THR 104          HG21      THR 104  -8.866  -7.856   9.604
  814   HG22  THR 104          HG22      THR 104  -9.957  -8.466  10.847
  815   HG23  THR 104          HG23      THR 104 -10.583  -8.048   9.253
  816    H    SER 105           H        SER 105  -6.927 -10.367  12.199
  817    HA   SER 105           HA       SER 105  -8.752 -11.803  13.902
  818    HB2  SER 105           HB2      SER 105  -6.889 -11.223  15.627
  819    HB3  SER 105           HB1      SER 105  -6.528 -12.361  14.328
  820    HG   SER 105           HG       SER 105  -5.652  -9.725  14.700
  821    H    THR 106           H        THR 106 -10.195  -9.758  13.193
  822    HA   THR 106           HA       THR 106  -9.967  -7.629  15.170
  823    HB   THR 106           HB       THR 106 -10.549  -6.937  12.912
  824    HG1  THR 106           HG1      THR 106 -11.530  -5.688  14.492
  825   HG21  THR 106          HG21      THR 106 -12.948  -8.743  13.201
  826   HG22  THR 106          HG22      THR 106 -11.584  -8.986  12.111
  827   HG23  THR 106          HG23      THR 106 -12.672  -7.620  11.871
  828    H    SER 107           H        SER 107 -11.423  -7.315  16.823
  829    HA   SER 107           HA       SER 107 -12.838  -7.900  18.492
  830    HB2  SER 107           HB2      SER 107 -14.377  -9.168  16.213
  831    HB3  SER 107           HB1      SER 107 -15.025  -8.836  17.819
  832    HG   SER 107           HG       SER 107 -15.059  -7.219  15.798
  833    H    THR 108           H        THR 108 -10.845  -9.366  18.906
  834    HA   THR 108           HA       THR 108 -11.837 -12.120  19.158
  835    HB   THR 108           HB       THR 108 -10.040 -12.221  17.606
  836    HG1  THR 108           HG1      THR 108  -9.881 -13.886  19.075
  837   HG21  THR 108          HG21      THR 108  -8.387 -10.627  19.566
  838   HG22  THR 108          HG22      THR 108  -9.002 -10.058  18.016
  839   HG23  THR 108          HG23      THR 108  -7.791 -11.339  18.067
  840    HA   PRO 109           HA       PRO 109 -11.168 -10.672  23.438
  841    HB2  PRO 109           HB2      PRO 109 -13.480 -11.535  24.454
  842    HB3  PRO 109           HB1      PRO 109 -13.407 -10.058  23.486
  843    HG2  PRO 109           HG2      PRO 109 -14.312 -12.796  22.709
  844    HG3  PRO 109           HG1      PRO 109 -15.003 -11.224  22.276
  845    HD2  PRO 109           HD2      PRO 109 -13.318 -12.722  20.661
  846    HD3  PRO 109           HD1      PRO 109 -13.595 -10.977  20.499
  847    H    GLY 110           H        GLY 110  -9.553 -12.532  22.952
  848    HA2  GLY 110           HA2      GLY 110 -10.239 -15.187  23.685
  849    HA3  GLY 110           HA1      GLY 110  -8.613 -14.533  23.565
  850    H    SER 111           H        SER 111 -11.072 -15.565  25.640
  851    HA   SER 111           HA       SER 111 -10.283 -14.189  27.997
  852    HB2  SER 111           HB2      SER 111 -11.733 -16.838  27.763
  853    HB3  SER 111           HB1      SER 111 -11.727 -15.757  29.157
  854    HG   SER 111           HG       SER 111 -12.521 -14.218  27.286
  855    H    ARG 112           H        ARG 112  -8.052 -14.381  28.177
  856    HA   ARG 112           HA       ARG 112  -6.762 -16.941  28.152
  857    HB2  ARG 112           HB2      ARG 112  -5.748 -14.220  28.980
  858    HB3  ARG 112           HB1      ARG 112  -4.750 -15.662  28.876
  859    HG2  ARG 112           HG2      ARG 112  -5.428 -15.803  26.448
  860    HG3  ARG 112           HG1      ARG 112  -6.114 -14.189  26.644
  861    HD2  ARG 112           HD2      ARG 112  -3.852 -14.075  25.738
  862    HD3  ARG 112           HD1      ARG 112  -3.930 -13.342  27.340
  863    HE   ARG 112           HE       ARG 112  -3.208 -15.975  27.739
  864   HH11  ARG 112          HH11      ARG 112  -1.874 -13.215  26.051
  865   HH12  ARG 112          HH12      ARG 112  -0.229 -13.720  26.269
  866   HH21  ARG 112          HH21      ARG 112  -1.053 -16.662  27.998
  867   HH22  ARG 112          HH22      ARG 112   0.237 -15.687  27.367
  868    H    SER 113           H        SER 113  -8.424 -17.661  29.807
  869    HA   SER 113           HA       SER 113  -7.966 -16.922  32.534
  870    HB2  SER 113           HB2      SER 113 -10.162 -17.742  31.723
  871    HB3  SER 113           HB1      SER 113  -9.436 -19.315  31.393
  872    HG   SER 113           HG       SER 113  -9.286 -18.155  33.963
  873    H    HIS 114           H        HIS 114  -6.598 -19.163  30.305
  874    HA   HIS 114           HA       HIS 114  -5.367 -20.786  32.376
  875    HB2  HIS 114           HB2      HIS 114  -5.079 -20.854  29.366
  876    HB3  HIS 114           HB1      HIS 114  -4.310 -21.986  30.469
  877    HD1  HIS 114           HD1      HIS 114  -7.600 -21.142  28.924
  878    HD2  HIS 114           HD2      HIS 114  -6.019 -23.917  31.586
  879    HE1  HIS 114           HE1      HIS 114  -9.366 -22.908  29.189
  880    HE2  HIS 114           HE2      HIS 114  -8.340 -24.640  30.702
  881    H    HIS 115           H        HIS 115  -4.571 -18.423  32.985
  882    HA   HIS 115           HA       HIS 115  -1.840 -18.177  31.904
  883    HB2  HIS 115           HB2      HIS 115  -3.467 -16.292  31.303
  884    HB3  HIS 115           HB1      HIS 115  -3.457 -15.875  33.012
  885    HD1  HIS 115           HD1      HIS 115  -1.189 -14.935  33.981
  886    HD2  HIS 115           HD2      HIS 115  -1.263 -15.474  29.860
  887    HE1  HIS 115           HE1      HIS 115   0.789 -13.662  33.095
  888    HE2  HIS 115           HE2      HIS 115   0.616 -13.857  30.589
  889    H    HIS 116           H        HIS 116  -1.261 -19.663  33.609
  890    HA   HIS 116           HA       HIS 116  -1.361 -18.506  36.311
  891    HB2  HIS 116           HB2      HIS 116  -1.023 -21.340  35.342
  892    HB3  HIS 116           HB1      HIS 116  -0.613 -20.874  36.986
  893    HD1  HIS 116           HD1      HIS 116  -3.091 -22.690  35.644
  894    HD2  HIS 116           HD2      HIS 116  -3.229 -19.099  37.731
  895    HE1  HIS 116           HE1      HIS 116  -5.406 -22.560  36.616
  896    HE2  HIS 116           HE2      HIS 116  -5.436 -20.431  37.961
  897    H    HIS 117           H        HIS 117   0.380 -17.073  35.241
  898    HA   HIS 117           HA       HIS 117   2.974 -18.307  34.938
  899    HB2  HIS 117           HB2      HIS 117   2.282 -16.392  33.523
  900    HB3  HIS 117           HB1      HIS 117   2.218 -15.374  34.955
  901    HD1  HIS 117           HD1      HIS 117   4.723 -17.282  32.849
  902    HD2  HIS 117           HD2      HIS 117   4.600 -14.235  35.672
  903    HE1  HIS 117           HE1      HIS 117   7.047 -16.330  32.917
  904    HE2  HIS 117           HE2      HIS 117   6.903 -14.383  34.506
  905    H    HIS 118           H        HIS 118   2.814 -19.196  37.177
  906    HA   HIS 118           HA       HIS 118   4.168 -17.342  39.009
  907    HB2  HIS 118           HB2      HIS 118   1.879 -19.163  39.787
  908    HB3  HIS 118           HB1      HIS 118   2.897 -18.296  40.929
  909    HD1  HIS 118           HD1      HIS 118  -0.272 -18.039  39.396
  910    HD2  HIS 118           HD2      HIS 118   2.745 -15.318  40.264
  911    HE1  HIS 118           HE1      HIS 118  -1.375 -15.784  39.379
  912    HE2  HIS 118           HE2      HIS 118   0.510 -14.146  39.692
  913    H    HIS 119           H        HIS 119   4.633 -19.845  37.223
  914    HA   HIS 119           HA       HIS 119   6.180 -21.321  39.239
  915    HB2  HIS 119           HB2      HIS 119   4.594 -22.526  36.957
  916    HB3  HIS 119           HB1      HIS 119   5.732 -23.417  37.960
  917    HD1  HIS 119           HD1      HIS 119   5.032 -23.792  40.476
  918    HD2  HIS 119           HD2      HIS 119   2.082 -22.170  38.041
  919    HE1  HIS 119           HE1      HIS 119   2.884 -24.059  41.750
  920    HE2  HIS 119           HE2      HIS 119   1.140 -22.925  40.330
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   6.496   5.346  12.150
    2    H2   GLY   1           HT2      GLY   1   6.235   3.762  12.662
    3    H3   GLY   1           HT3      GLY   1   7.708   4.525  12.991
    4    HA2  GLY   1           HA1      GLY   1   6.324   4.446  14.964
    5    HA3  GLY   1           HA2      GLY   1   6.625   6.097  14.444
    6    H    SER   2           H        SER   2   4.601   6.106  15.975
    7    HA   SER   2           HA       SER   2   2.113   5.348  14.824
    8    HB2  SER   2           HB2      SER   2   2.698   7.353  17.012
    9    HB3  SER   2           HB1      SER   2   1.122   6.653  16.648
   10    HG   SER   2           HG       SER   2   1.690   5.155  17.991
   11    H    GLN   3           H        GLN   3   3.869   8.421  15.055
   12    HA   GLN   3           HA       GLN   3   1.806   9.805  13.580
   13    HB2  GLN   3           HB2      GLN   3   4.500  10.737  14.576
   14    HB3  GLN   3           HB1      GLN   3   3.297  11.769  13.816
   15    HG2  GLN   3           HG2      GLN   3   2.920  10.248  16.386
   16    HG3  GLN   3           HG1      GLN   3   3.286  11.968  16.252
   17   HE21  GLN   3          HE21      GLN   3   1.696  13.379  15.543
   18   HE22  GLN   3          HE22      GLN   3   0.026  12.936  15.476
   19    H    THR   4           H        THR   4   1.669   9.385  11.501
   20    HA   THR   4           HA       THR   4   3.823   8.494   9.887
   21    HB   THR   4           HB       THR   4   1.220   9.666   8.897
   22    HG1  THR   4           HG1      THR   4   1.735   6.998   9.787
   23   HG21  THR   4          HG21      THR   4   2.885   9.137   7.179
   24   HG22  THR   4          HG22      THR   4   1.514   8.031   7.088
   25   HG23  THR   4          HG23      THR   4   3.030   7.499   7.816
   26    H    THR   5           H        THR   5   5.350   9.657   8.907
   27    HA   THR   5           HA       THR   5   5.503  12.468   9.210
   28    HB   THR   5           HB       THR   5   7.512  12.288   7.724
   29    HG1  THR   5           HG1      THR   5   7.324  10.611   6.413
   30   HG21  THR   5          HG21      THR   5   7.366  10.284   9.978
   31   HG22  THR   5          HG22      THR   5   7.705  12.006  10.149
   32   HG23  THR   5          HG23      THR   5   8.843  10.963   9.294
   33    H    ALA   6           H        ALA   6   4.414  10.382   6.634
   34    HA   ALA   6           HA       ALA   6   3.945  12.689   4.894
   35    HB1  ALA   6           HB1      ALA   6   3.574   9.741   4.364
   36    HB2  ALA   6           HB2      ALA   6   4.951  10.720   3.857
   37    HB3  ALA   6           HB3      ALA   6   3.351  11.034   3.187
   38    HA   PRO   7           HA       PRO   7  -0.036  12.692   6.987
   39    HB2  PRO   7           HB2      PRO   7  -0.977  14.959   5.805
   40    HB3  PRO   7           HB1      PRO   7   0.144  14.965   7.169
   41    HG2  PRO   7           HG2      PRO   7   0.714  15.292   4.249
   42    HG3  PRO   7           HG1      PRO   7   1.375  16.192   5.627
   43    HD2  PRO   7           HD2      PRO   7   2.756  14.223   4.416
   44    HD3  PRO   7           HD1      PRO   7   2.879  14.520   6.161
   45    H    ASP   8           H        ASP   8   0.535  12.677   3.556
   46    HA   ASP   8           HA       ASP   8  -2.286  12.345   2.933
   47    HB2  ASP   8           HB2      ASP   8   0.124  12.307   1.100
   48    HB3  ASP   8           HB1      ASP   8  -1.559  12.319   0.584
   49    H    ALA   9           H        ALA   9   0.025  10.375   4.093
   50    HA   ALA   9           HA       ALA   9  -0.409   8.064   2.420
   51    HB1  ALA   9           HB1      ALA   9   1.114   6.932   3.890
   52    HB2  ALA   9           HB2      ALA   9   0.994   8.228   5.078
   53    HB3  ALA   9           HB3      ALA   9   1.762   8.529   3.521
   54    HA   PRO  10           HA       PRO  10  -3.859   6.417   4.776
   55    HB2  PRO  10           HB2      PRO  10  -3.022   3.770   3.848
   56    HB3  PRO  10           HB1      PRO  10  -4.502   4.658   3.487
   57    HG2  PRO  10           HG2      PRO  10  -2.562   4.230   1.650
   58    HG3  PRO  10           HG1      PRO  10  -3.602   5.663   1.634
   59    HD2  PRO  10           HD2      PRO  10  -0.784   5.385   2.565
   60    HD3  PRO  10           HD1      PRO  10  -1.549   6.714   1.714
   61    HA   PRO  11           HA       PRO  11  -1.443   5.457   8.428
   62    HB2  PRO  11           HB2      PRO  11  -4.147   4.853   9.501
   63    HB3  PRO  11           HB1      PRO  11  -2.896   5.927  10.137
   64    HG2  PRO  11           HG2      PRO  11  -5.066   6.913   8.947
   65    HG3  PRO  11           HG1      PRO  11  -3.475   7.663   8.717
   66    HD2  PRO  11           HD2      PRO  11  -5.027   5.900   6.869
   67    HD3  PRO  11           HD1      PRO  11  -4.008   7.307   6.501
   68    H    ASP  12           H        ASP  12  -4.131   3.379   7.377
   69    HA   ASP  12           HA       ASP  12  -2.483   1.035   7.679
   70    HB2  ASP  12           HB2      ASP  12  -3.196   1.158   9.950
   71    HB3  ASP  12           HB1      ASP  12  -4.852   1.522   9.483
   72    HA   PRO  13           HA       PRO  13  -5.477  -0.004   4.445
   73    HB2  PRO  13           HB2      PRO  13  -3.578  -2.043   3.660
   74    HB3  PRO  13           HB1      PRO  13  -4.070  -0.603   2.768
   75    HG2  PRO  13           HG2      PRO  13  -1.569  -0.957   3.815
   76    HG3  PRO  13           HG1      PRO  13  -2.306   0.630   3.537
   77    HD2  PRO  13           HD2      PRO  13  -2.048  -0.920   6.084
   78    HD3  PRO  13           HD1      PRO  13  -1.874   0.826   5.797
   79    H    THR  14           H        THR  14  -7.107  -1.187   5.261
   80    HA   THR  14           HA       THR  14  -6.463  -3.681   6.691
   81    HB   THR  14           HB       THR  14  -9.178  -2.418   6.774
   82    HG1  THR  14           HG1      THR  14  -6.835  -1.520   8.136
   83   HG21  THR  14          HG21      THR  14  -8.831  -4.605   7.812
   84   HG22  THR  14          HG22      THR  14  -9.185  -3.381   9.031
   85   HG23  THR  14          HG23      THR  14  -7.529  -3.939   8.796
   86    H    VAL  15           H        VAL  15  -7.435  -5.614   6.011
   87    HA   VAL  15           HA       VAL  15  -8.705  -5.402   3.402
   88    HB   VAL  15           HB       VAL  15  -7.774  -7.362   2.748
   89   HG11  VAL  15          HG11      VAL  15  -6.023  -5.722   3.111
   90   HG12  VAL  15          HG12      VAL  15  -5.416  -7.358   3.366
   91   HG13  VAL  15          HG13      VAL  15  -5.783  -6.328   4.749
   92   HG21  VAL  15          HG21      VAL  15  -8.635  -8.704   4.611
   93   HG22  VAL  15          HG22      VAL  15  -7.261  -8.182   5.587
   94   HG23  VAL  15          HG23      VAL  15  -6.996  -9.149   4.130
   95    H    ASP  16           H        ASP  16 -10.645  -6.190   2.980
   96    HA   ASP  16           HA       ASP  16 -12.102  -7.532   5.168
   97    HB2  ASP  16           HB2      ASP  16 -13.141  -5.479   3.194
   98    HB3  ASP  16           HB1      ASP  16 -14.160  -6.406   4.285
   99    H    GLN  17           H        GLN  17 -14.177  -8.559   4.205
  100    HA   GLN  17           HA       GLN  17 -15.130 -10.157   2.913
  101    HB2  GLN  17           HB2      GLN  17 -13.937  -8.447   0.740
  102    HB3  GLN  17           HB1      GLN  17 -15.118  -9.696   0.466
  103    HG2  GLN  17           HG2      GLN  17 -15.565  -7.297   2.215
  104    HG3  GLN  17           HG1      GLN  17 -16.066  -7.417   0.532
  105   HE21  GLN  17          HE21      GLN  17 -18.219  -7.161   1.038
  106   HE22  GLN  17          HE22      GLN  17 -19.154  -8.400   1.800
  107    H    VAL  18           H        VAL  18 -13.466 -11.622   3.861
  108    HA   VAL  18           HA       VAL  18 -11.336 -12.448   2.098
  109    HB   VAL  18           HB       VAL  18 -10.924 -14.228   3.825
  110   HG11  VAL  18          HG11      VAL  18 -11.023 -11.375   4.802
  111   HG12  VAL  18          HG12      VAL  18  -9.725 -12.108   3.860
  112   HG13  VAL  18          HG13      VAL  18 -10.049 -12.668   5.501
  113   HG21  VAL  18          HG21      VAL  18 -12.046 -14.046   5.979
  114   HG22  VAL  18          HG22      VAL  18 -13.212 -14.389   4.702
  115   HG23  VAL  18          HG23      VAL  18 -13.072 -12.757   5.353
  116    H    ASP  19           H        ASP  19 -11.645 -13.714   0.448
  117    HA   ASP  19           HA       ASP  19 -13.943 -15.538   0.399
  118    HB2  ASP  19           HB2      ASP  19 -13.411 -13.843  -1.470
  119    HB3  ASP  19           HB1      ASP  19 -12.087 -14.919  -1.899
  120    H    ASP  20           H        ASP  20 -12.746 -17.377  -1.553
  121    HA   ASP  20           HA       ASP  20 -11.552 -19.126   0.351
  122    HB2  ASP  20           HB2      ASP  20 -11.621 -20.793  -1.262
  123    HB3  ASP  20           HB1      ASP  20 -12.918 -19.733  -1.791
  124    H    THR  21           H        THR  21 -10.274 -17.118  -2.239
  125    HA   THR  21           HA       THR  21  -7.649 -17.249  -0.998
  126    HB   THR  21           HB       THR  21  -6.697 -17.452  -3.446
  127    HG1  THR  21           HG1      THR  21  -9.074 -19.031  -3.650
  128   HG21  THR  21          HG21      THR  21  -6.159 -18.982  -1.624
  129   HG22  THR  21          HG22      THR  21  -6.411 -19.863  -3.129
  130   HG23  THR  21          HG23      THR  21  -7.670 -19.849  -1.896
  131    H    SER  22           H        SER  22  -9.804 -15.217  -1.457
  132    HA   SER  22           HA       SER  22  -8.098 -13.196  -2.715
  133    HB2  SER  22           HB2      SER  22 -11.055 -13.488  -3.290
  134    HB3  SER  22           HB1      SER  22  -9.999 -12.226  -3.915
  135    HG   SER  22           HG       SER  22  -9.656 -15.006  -4.391
  136    H    ILE  23           H        ILE  23  -8.218 -11.176  -1.819
  137    HA   ILE  23           HA       ILE  23 -10.164 -10.757   0.360
  138    HB   ILE  23           HB       ILE  23  -8.526  -9.659   1.723
  139   HG12  ILE  23          HG12      ILE  23  -6.435 -10.222  -0.378
  140   HG13  ILE  23          HG11      ILE  23  -7.306  -8.696  -0.301
  141   HG21  ILE  23          HG21      ILE  23  -7.316 -12.213   0.672
  142   HG22  ILE  23          HG22      ILE  23  -8.581 -12.101   1.896
  143   HG23  ILE  23          HG23      ILE  23  -6.971 -11.463   2.230
  144   HD11  ILE  23          HD11      ILE  23  -5.164  -9.753   1.425
  145   HD12  ILE  23          HD12      ILE  23  -6.433  -8.817   2.217
  146   HD13  ILE  23          HD13      ILE  23  -5.499  -8.097   0.893
  147    H    VAL  24           H        VAL  24 -10.570  -8.446   0.791
  148    HA   VAL  24           HA       VAL  24  -9.846  -6.733  -1.498
  149    HB   VAL  24           HB       VAL  24 -12.175  -6.378   0.402
  150   HG11  VAL  24          HG11      VAL  24 -11.432  -4.902  -2.122
  151   HG12  VAL  24          HG12      VAL  24 -11.330  -4.271  -0.479
  152   HG13  VAL  24          HG13      VAL  24 -12.902  -4.653  -1.180
  153   HG21  VAL  24          HG21      VAL  24 -12.149  -7.331  -2.459
  154   HG22  VAL  24          HG22      VAL  24 -13.588  -6.997  -1.496
  155   HG23  VAL  24          HG23      VAL  24 -12.507  -8.314  -1.040
  156    H    VAL  25           H        VAL  25  -8.078  -5.644  -0.908
  157    HA   VAL  25           HA       VAL  25  -7.760  -4.786   1.853
  158    HB   VAL  25           HB       VAL  25  -5.765  -5.715   1.052
  159   HG11  VAL  25          HG11      VAL  25  -6.258  -4.177  -1.468
  160   HG12  VAL  25          HG12      VAL  25  -6.095  -5.924  -1.235
  161   HG13  VAL  25          HG13      VAL  25  -4.687  -4.875  -1.078
  162   HG21  VAL  25          HG21      VAL  25  -4.142  -3.885   0.949
  163   HG22  VAL  25          HG22      VAL  25  -5.333  -3.647   2.230
  164   HG23  VAL  25          HG23      VAL  25  -5.464  -2.737   0.726
  165    H    ARG  26           H        ARG  26  -8.302  -2.863   2.530
  166    HA   ARG  26           HA       ARG  26  -8.865  -0.773   0.530
  167    HB2  ARG  26           HB2      ARG  26 -10.282  -1.372   3.130
  168    HB3  ARG  26           HB1      ARG  26 -10.645  -0.011   2.078
  169    HG2  ARG  26           HG2      ARG  26 -11.386  -1.471   0.338
  170    HG3  ARG  26           HG1      ARG  26 -10.839  -2.889   1.231
  171    HD2  ARG  26           HD2      ARG  26 -12.506  -2.567   2.905
  172    HD3  ARG  26           HD1      ARG  26 -12.947  -0.993   2.241
  173    HE   ARG  26           HE       ARG  26 -13.437  -2.589   0.165
  174   HH11  ARG  26          HH11      ARG  26 -14.273  -2.977   3.537
  175   HH12  ARG  26          HH12      ARG  26 -15.766  -3.797   3.198
  176   HH21  ARG  26          HH21      ARG  26 -15.370  -3.691  -0.284
  177   HH22  ARG  26          HH22      ARG  26 -16.381  -4.221   1.026
  178    H    TRP  27           H        TRP  27  -7.899   1.128   0.794
  179    HA   TRP  27           HA       TRP  27  -6.710   1.744   3.413
  180    HB2  TRP  27           HB2      TRP  27  -4.862   2.895   2.140
  181    HB3  TRP  27           HB1      TRP  27  -4.875   1.142   1.993
  182    HD1  TRP  27           HD1      TRP  27  -5.421   4.322  -0.042
  183    HE1  TRP  27           HE1      TRP  27  -5.448   3.718  -2.538
  184    HE3  TRP  27           HE3      TRP  27  -5.393  -0.770   0.352
  185    HZ2  TRP  27           HZ2      TRP  27  -5.449   1.394  -4.136
  186    HZ3  TRP  27           HZ3      TRP  27  -5.403  -2.112  -1.709
  187    HH2  TRP  27           HH2      TRP  27  -5.430  -1.052  -3.906
  188    H    SER  28           H        SER  28  -7.401   3.613   4.246
  189    HA   SER  28           HA       SER  28  -8.569   5.580   2.398
  190    HB2  SER  28           HB2      SER  28 -10.137   4.584   4.067
  191    HB3  SER  28           HB1      SER  28  -9.127   5.236   5.356
  192    HG   SER  28           HG       SER  28 -10.965   6.488   3.740
  193    H    ARG  29           H        ARG  29  -7.063   7.071   1.969
  194    HA   ARG  29           HA       ARG  29  -5.337   8.044   4.100
  195    HB2  ARG  29           HB2      ARG  29  -4.017   9.084   2.421
  196    HB3  ARG  29           HB1      ARG  29  -4.388   7.462   1.872
  197    HG2  ARG  29           HG2      ARG  29  -4.699   8.662  -0.043
  198    HG3  ARG  29           HG1      ARG  29  -6.341   8.659   0.610
  199    HD2  ARG  29           HD2      ARG  29  -6.016  10.839   1.558
  200    HD3  ARG  29           HD1      ARG  29  -4.324  10.843   1.069
  201    HE   ARG  29           HE       ARG  29  -6.113  10.505  -1.143
  202   HH11  ARG  29          HH11      ARG  29  -4.656  12.866   0.980
  203   HH12  ARG  29          HH12      ARG  29  -4.743  14.156  -0.177
  204   HH21  ARG  29          HH21      ARG  29  -6.234  12.195  -2.678
  205   HH22  ARG  29          HH22      ARG  29  -5.661  13.777  -2.251
  206    HA   PRO  30           HA       PRO  30  -7.786  11.663   4.718
  207    HB2  PRO  30           HB2      PRO  30  -5.565  13.259   5.566
  208    HB3  PRO  30           HB1      PRO  30  -6.751  12.431   6.569
  209    HG2  PRO  30           HG2      PRO  30  -4.070  11.767   6.397
  210    HG3  PRO  30           HG1      PRO  30  -5.352  10.698   6.987
  211    HD2  PRO  30           HD2      PRO  30  -3.997  10.752   4.336
  212    HD3  PRO  30           HD1      PRO  30  -4.627   9.378   5.254
  213    H1   MET  31           HT1      MET  31   3.077  31.513  -3.816
  214    H2   MET  31           HT2      MET  31   4.531  31.507  -4.677
  215    H3   MET  31           HT3      MET  31   4.161  32.803  -3.659
  216    HA   MET  31           HA       MET  31   4.687  30.009  -2.827
  217    HB2  MET  31           HB2      MET  31   6.280  32.545  -2.421
  218    HB3  MET  31           HB1      MET  31   6.643  31.007  -1.661
  219    HG2  MET  31           HG2      MET  31   7.117  30.003  -3.784
  220    HG3  MET  31           HG1      MET  31   6.584  31.451  -4.633
  221    HE1  MET  31           HE1      MET  31   9.289  29.907  -2.248
  222    HE2  MET  31           HE2      MET  31   8.738  31.303  -1.322
  223    HE3  MET  31           HE3      MET  31  10.369  31.278  -1.990
  224    H    ARG  32           H        ARG  32   4.364  33.347  -1.571
  225    HA   ARG  32           HA       ARG  32   3.340  32.420   0.946
  226    HB2  ARG  32           HB2      ARG  32   3.213  35.193  -0.266
  227    HB3  ARG  32           HB1      ARG  32   2.933  34.785   1.422
  228    HG2  ARG  32           HG2      ARG  32   5.267  33.987   1.574
  229    HG3  ARG  32           HG1      ARG  32   5.524  34.529  -0.084
  230    HD2  ARG  32           HD2      ARG  32   4.884  36.820   0.628
  231    HD3  ARG  32           HD1      ARG  32   4.799  36.237   2.289
  232    HE   ARG  32           HE       ARG  32   7.249  36.325   0.652
  233   HH11  ARG  32          HH11      ARG  32   5.663  36.302   3.781
  234   HH12  ARG  32          HH12      ARG  32   7.129  36.601   4.657
  235   HH21  ARG  32          HH21      ARG  32   9.160  36.713   1.801
  236   HH22  ARG  32          HH22      ARG  32   9.118  36.845   3.531
  237    H    GLY  33           H        GLY  33   2.021  33.804  -2.008
  238    HA2  GLY  33           HA2      GLY  33  -0.663  32.934  -1.199
  239    HA3  GLY  33           HA1      GLY  33  -0.285  33.973  -2.573
  240    H    SER  34           H        SER  34  -1.915  31.721  -2.846
  241    HA   SER  34           HA       SER  34  -2.200  29.783  -3.990
  242    HB2  SER  34           HB2      SER  34   0.310  30.647  -5.452
  243    HB3  SER  34           HB1      SER  34  -0.899  29.504  -6.036
  244    HG   SER  34           HG       SER  34  -2.124  31.769  -5.327
  245    H    ASN  35           H        ASN  35  -1.470  28.986  -1.750
  246    HA   ASN  35           HA       ASN  35   1.148  27.819  -1.572
  247    HB2  ASN  35           HB2      ASN  35  -1.284  27.620   0.207
  248    HB3  ASN  35           HB1      ASN  35   0.248  26.831   0.569
  249   HD21  ASN  35          HD21      ASN  35  -1.434  29.859   0.330
  250   HD22  ASN  35          HD22      ASN  35  -0.235  30.821   1.122
  251    H    ALA  36           H        ALA  36  -1.696  26.911  -3.054
  252    HA   ALA  36           HA       ALA  36  -0.693  24.161  -3.287
  253    HB1  ALA  36           HB1      ALA  36  -2.976  23.326  -3.403
  254    HB2  ALA  36           HB2      ALA  36  -3.599  24.959  -3.164
  255    HB3  ALA  36           HB3      ALA  36  -2.696  24.162  -1.876
  256    HA   PRO  37           HA       PRO  37  -1.115  26.131  -7.493
  257    HB2  PRO  37           HB2      PRO  37   1.352  25.388  -8.373
  258    HB3  PRO  37           HB1      PRO  37   1.054  26.911  -7.528
  259    HG2  PRO  37           HG2      PRO  37   2.173  24.346  -6.479
  260    HG3  PRO  37           HG1      PRO  37   2.663  26.013  -6.126
  261    HD2  PRO  37           HD2      PRO  37   1.113  24.530  -4.452
  262    HD3  PRO  37           HD1      PRO  37   1.010  26.298  -4.557
  263    H    GLN  38           H        GLN  38  -2.649  24.547  -7.937
  264    HA   GLN  38           HA       GLN  38  -3.568  22.620  -8.681
  265    HB2  GLN  38           HB2      GLN  38  -1.872  22.889 -10.525
  266    HB3  GLN  38           HB1      GLN  38  -0.800  21.836  -9.611
  267    HG2  GLN  38           HG2      GLN  38  -1.902  20.554 -11.305
  268    HG3  GLN  38           HG1      GLN  38  -2.502  20.055  -9.725
  269   HE21  GLN  38          HE21      GLN  38  -4.416  19.245 -10.518
  270   HE22  GLN  38          HE22      GLN  38  -5.673  20.254 -11.143
  271    HA   PRO  39           HA       PRO  39  -2.676  20.873  -4.617
  272    HB2  PRO  39           HB2      PRO  39  -5.128  19.356  -5.363
  273    HB3  PRO  39           HB1      PRO  39  -4.751  20.231  -3.876
  274    HG2  PRO  39           HG2      PRO  39  -6.422  21.270  -5.658
  275    HG3  PRO  39           HG1      PRO  39  -5.253  22.297  -4.806
  276    HD2  PRO  39           HD2      PRO  39  -5.187  21.267  -7.610
  277    HD3  PRO  39           HD1      PRO  39  -4.664  22.839  -6.969
  278    H    SER  40           H        SER  40  -1.687  19.067  -3.924
  279    HA   SER  40           HA       SER  40  -0.818  17.160  -5.880
  280    HB2  SER  40           HB2      SER  40  -0.338  17.247  -2.889
  281    HB3  SER  40           HB1      SER  40   0.528  16.234  -4.043
  282    HG   SER  40           HG       SER  40   0.444  19.063  -4.239
  283    H    HIS  41           H        HIS  41  -2.205  15.644  -6.525
  284    HA   HIS  41           HA       HIS  41  -3.701  14.170  -4.463
  285    HB2  HIS  41           HB2      HIS  41  -4.423  14.836  -7.311
  286    HB3  HIS  41           HB1      HIS  41  -5.227  13.545  -6.429
  287    HD1  HIS  41           HD1      HIS  41  -7.088  14.210  -4.867
  288    HD2  HIS  41           HD2      HIS  41  -4.852  17.459  -6.183
  289    HE1  HIS  41           HE1      HIS  41  -8.310  16.247  -4.053
  290    HE2  HIS  41           HE2      HIS  41  -6.872  18.193  -4.746
  291    H    ILE  42           H        ILE  42  -3.974  11.898  -4.819
  292    HA   ILE  42           HA       ILE  42  -1.573  10.680  -5.838
  293    HB   ILE  42           HB       ILE  42  -3.998   9.506  -4.476
  294   HG12  ILE  42          HG12      ILE  42  -2.251   8.920  -2.733
  295   HG13  ILE  42          HG11      ILE  42  -1.130   9.943  -3.618
  296   HG21  ILE  42          HG21      ILE  42  -2.801   7.370  -4.437
  297   HG22  ILE  42          HG22      ILE  42  -1.524   8.069  -5.433
  298   HG23  ILE  42          HG23      ILE  42  -3.153   7.889  -6.085
  299   HD11  ILE  42          HD11      ILE  42  -3.702  10.837  -2.340
  300   HD12  ILE  42          HD12      ILE  42  -2.569  11.868  -3.217
  301   HD13  ILE  42          HD13      ILE  42  -2.076  11.098  -1.708
  302    H    SER  43           H        SER  43  -1.310   9.916  -7.794
  303    HA   SER  43           HA       SER  43  -3.529   9.920  -9.647
  304    HB2  SER  43           HB2      SER  43  -0.612   9.264 -10.114
  305    HB3  SER  43           HB1      SER  43  -1.820   9.611 -11.353
  306    HG   SER  43           HG       SER  43  -2.028  11.674  -9.950
  307    H    LYS  44           H        LYS  44  -1.366   7.576  -8.132
  308    HA   LYS  44           HA       LYS  44  -3.233   5.464  -8.697
  309    HB2  LYS  44           HB2      LYS  44  -1.645   4.007  -9.875
  310    HB3  LYS  44           HB1      LYS  44  -1.992   5.462 -10.795
  311    HG2  LYS  44           HG2      LYS  44   0.142   6.425 -10.070
  312    HG3  LYS  44           HG1      LYS  44   0.485   4.954  -9.150
  313    HD2  LYS  44           HD2      LYS  44   0.464   3.643 -11.193
  314    HD3  LYS  44           HD1      LYS  44   0.040   5.073 -12.134
  315    HE2  LYS  44           HE2      LYS  44   2.564   4.800 -10.509
  316    HE3  LYS  44           HE1      LYS  44   2.456   4.442 -12.230
  317    HZ1  LYS  44           HZ1      LYS  44   3.298   6.675 -11.798
  318    HZ2  LYS  44           HZ2      LYS  44   1.861   7.080 -11.004
  319    HZ3  LYS  44           HZ3      LYS  44   1.840   6.720 -12.654
  320    H    TYR  45           H        TYR  45  -3.015   3.727  -7.367
  321    HA   TYR  45           HA       TYR  45  -0.918   3.884  -5.304
  322    HB2  TYR  45           HB2      TYR  45  -3.472   2.262  -5.259
  323    HB3  TYR  45           HB1      TYR  45  -2.347   2.486  -3.931
  324    HD1  TYR  45           HD1      TYR  45  -5.247   3.749  -5.622
  325    HD2  TYR  45           HD2      TYR  45  -2.164   4.779  -2.877
  326    HE1  TYR  45           HE1      TYR  45  -6.618   5.613  -4.793
  327    HE2  TYR  45           HE2      TYR  45  -3.524   6.654  -2.048
  328    HH   TYR  45           HH       TYR  45  -6.796   6.948  -2.645
  329    H    ILE  46           H        ILE  46   0.583   2.284  -5.216
  330    HA   ILE  46           HA       ILE  46   0.152  -0.040  -6.968
  331    HB   ILE  46           HB       ILE  46   2.714   1.219  -5.984
  332   HG12  ILE  46          HG12      ILE  46   3.219   1.153  -8.475
  333   HG13  ILE  46          HG11      ILE  46   1.539   0.697  -8.721
  334   HG21  ILE  46          HG21      ILE  46   3.932  -0.611  -7.061
  335   HG22  ILE  46          HG22      ILE  46   2.406  -1.427  -7.398
  336   HG23  ILE  46          HG23      ILE  46   2.931  -1.194  -5.731
  337   HD11  ILE  46          HD11      ILE  46   1.831   3.056  -9.109
  338   HD12  ILE  46          HD12      ILE  46   2.539   3.259  -7.508
  339   HD13  ILE  46          HD13      ILE  46   0.843   2.807  -7.669
  340    H    LEU  47           H        LEU  47  -0.430  -1.819  -5.997
  341    HA   LEU  47           HA       LEU  47   0.091  -2.155  -3.133
  342    HB2  LEU  47           HB2      LEU  47  -2.216  -2.445  -4.349
  343    HB3  LEU  47           HB1      LEU  47  -1.573  -3.993  -4.844
  344    HG   LEU  47           HG       LEU  47  -3.032  -4.263  -2.933
  345   HD11  LEU  47          HD11      LEU  47  -1.197  -5.805  -3.038
  346   HD12  LEU  47          HD12      LEU  47  -1.533  -5.392  -1.358
  347   HD13  LEU  47          HD13      LEU  47  -0.150  -4.673  -2.182
  348   HD21  LEU  47          HD21      LEU  47  -2.883  -2.075  -1.952
  349   HD22  LEU  47          HD22      LEU  47  -1.198  -2.349  -1.508
  350   HD23  LEU  47          HD23      LEU  47  -2.479  -3.295  -0.746
  351    H    ARG  48           H        ARG  48   1.722  -3.388  -2.506
  352    HA   ARG  48           HA       ARG  48   2.703  -5.491  -4.328
  353    HB2  ARG  48           HB2      ARG  48   4.238  -3.618  -2.535
  354    HB3  ARG  48           HB1      ARG  48   4.937  -5.111  -3.137
  355    HG2  ARG  48           HG2      ARG  48   4.628  -4.345  -5.407
  356    HG3  ARG  48           HG1      ARG  48   3.889  -2.855  -4.818
  357    HD2  ARG  48           HD2      ARG  48   5.968  -2.294  -3.653
  358    HD3  ARG  48           HD1      ARG  48   6.705  -3.779  -4.254
  359    HE   ARG  48           HE       ARG  48   5.888  -2.546  -6.505
  360   HH11  ARG  48          HH11      ARG  48   7.805  -1.461  -3.785
  361   HH12  ARG  48          HH12      ARG  48   8.766  -0.376  -4.738
  362   HH21  ARG  48          HH21      ARG  48   7.132  -1.141  -7.760
  363   HH22  ARG  48          HH22      ARG  48   8.376  -0.180  -7.010
  364    H    TRP  49           H        TRP  49   3.083  -7.497  -3.451
  365    HA   TRP  49           HA       TRP  49   3.185  -7.784  -0.576
  366    HB2  TRP  49           HB2      TRP  49   1.386  -9.408  -0.416
  367    HB3  TRP  49           HB1      TRP  49   0.772  -7.882  -1.031
  368    HD1  TRP  49           HD1      TRP  49   0.899 -11.528  -1.795
  369    HE1  TRP  49           HE1      TRP  49  -0.262 -12.002  -4.042
  370    HE3  TRP  49           HE3      TRP  49   0.484  -6.736  -3.520
  371    HZ2  TRP  49           HZ2      TRP  49  -1.222 -10.534  -6.255
  372    HZ3  TRP  49           HZ3      TRP  49  -0.568  -6.357  -5.710
  373    HH2  TRP  49           HH2      TRP  49  -1.398  -8.216  -7.050
  374    H    ARG  50           H        ARG  50   4.253  -9.537   0.124
  375    HA   ARG  50           HA       ARG  50   5.154 -11.501  -1.867
  376    HB2  ARG  50           HB2      ARG  50   7.365 -11.553  -0.722
  377    HB3  ARG  50           HB1      ARG  50   7.026 -10.020  -1.510
  378    HG2  ARG  50           HG2      ARG  50   6.470  -9.008   0.610
  379    HG3  ARG  50           HG1      ARG  50   6.678 -10.555   1.431
  380    HD2  ARG  50           HD2      ARG  50   8.899  -9.272  -0.130
  381    HD3  ARG  50           HD1      ARG  50   8.598  -8.868   1.558
  382    HE   ARG  50           HE       ARG  50   8.746 -11.623   1.393
  383   HH11  ARG  50          HH11      ARG  50  10.863  -8.888   0.836
  384   HH12  ARG  50          HH12      ARG  50  12.302  -9.752   1.271
  385   HH21  ARG  50          HH21      ARG  50  10.648 -12.758   1.963
  386   HH22  ARG  50          HH22      ARG  50  12.180 -11.949   1.903
  387    HA   PRO  51           HA       PRO  51   3.556 -14.277   1.262
  388    HB2  PRO  51           HB2      PRO  51   4.781 -16.412  -0.311
  389    HB3  PRO  51           HB1      PRO  51   3.073 -16.098   0.003
  390    HG2  PRO  51           HG2      PRO  51   4.209 -15.751  -2.433
  391    HG3  PRO  51           HG1      PRO  51   2.838 -14.785  -1.864
  392    HD2  PRO  51           HD2      PRO  51   5.737 -14.074  -1.994
  393    HD3  PRO  51           HD1      PRO  51   4.308 -13.074  -2.333
  394    H    LYS  52           H        LYS  52   4.499 -14.749   3.134
  395    HA   LYS  52           HA       LYS  52   7.301 -14.730   3.517
  396    HB2  LYS  52           HB2      LYS  52   4.917 -15.304   5.195
  397    HB3  LYS  52           HB1      LYS  52   6.475 -15.862   5.784
  398    HG2  LYS  52           HG2      LYS  52   6.017 -13.023   4.925
  399    HG3  LYS  52           HG1      LYS  52   5.691 -13.577   6.569
  400    HD2  LYS  52           HD2      LYS  52   8.019 -14.341   6.759
  401    HD3  LYS  52           HD1      LYS  52   8.338 -13.761   5.125
  402    HE2  LYS  52           HE2      LYS  52   9.118 -12.197   6.857
  403    HE3  LYS  52           HE1      LYS  52   7.896 -11.487   5.805
  404    HZ1  LYS  52           HZ1      LYS  52   6.308 -11.546   7.466
  405    HZ2  LYS  52           HZ2      LYS  52   7.712 -11.143   8.325
  406    HZ3  LYS  52           HZ3      LYS  52   7.128 -12.728   8.365
  407    H    ASN  53           H        ASN  53   5.192 -17.170   2.469
  408    HA   ASN  53           HA       ASN  53   6.900 -19.362   3.339
  409    HB2  ASN  53           HB2      ASN  53   4.282 -19.275   1.841
  410    HB3  ASN  53           HB1      ASN  53   5.186 -20.765   2.081
  411   HD21  ASN  53          HD21      ASN  53   5.195 -18.288   4.485
  412   HD22  ASN  53          HD22      ASN  53   4.194 -19.110   5.638
  413    H    SER  54           H        SER  54   7.230 -17.173   1.054
  414    HA   SER  54           HA       SER  54   8.270 -19.099  -0.922
  415    HB2  SER  54           HB2      SER  54   7.729 -17.544  -2.704
  416    HB3  SER  54           HB1      SER  54   6.281 -17.847  -1.747
  417    HG   SER  54           HG       SER  54   6.997 -15.848  -0.564
  418    H    VAL  55           H        VAL  55   9.728 -17.420  -2.537
  419    HA   VAL  55           HA       VAL  55  12.045 -16.971  -0.991
  420    HB   VAL  55           HB       VAL  55  12.149 -17.611  -3.356
  421   HG11  VAL  55          HG11      VAL  55  11.748 -15.950  -5.118
  422   HG12  VAL  55          HG12      VAL  55  11.114 -14.837  -3.908
  423   HG13  VAL  55          HG13      VAL  55  10.278 -16.355  -4.236
  424   HG21  VAL  55          HG21      VAL  55  13.904 -16.031  -4.052
  425   HG22  VAL  55          HG22      VAL  55  14.086 -16.580  -2.388
  426   HG23  VAL  55          HG23      VAL  55  13.441 -14.974  -2.722
  427    H    GLY  56           H        GLY  56   9.540 -14.816  -2.270
  428    HA2  GLY  56           HA2      GLY  56   8.976 -13.002  -0.676
  429    HA3  GLY  56           HA1      GLY  56  10.697 -12.708  -0.565
  430    H    ARG  57           H        ARG  57   9.073 -13.384  -3.564
  431    HA   ARG  57           HA       ARG  57   9.948 -10.861  -4.648
  432    HB2  ARG  57           HB2      ARG  57   8.392 -13.151  -5.849
  433    HB3  ARG  57           HB1      ARG  57   8.793 -11.687  -6.735
  434    HG2  ARG  57           HG2      ARG  57  10.734 -13.663  -5.560
  435    HG3  ARG  57           HG1      ARG  57  10.365 -13.426  -7.269
  436    HD2  ARG  57           HD2      ARG  57  11.667 -11.436  -5.414
  437    HD3  ARG  57           HD1      ARG  57  12.453 -12.331  -6.709
  438    HE   ARG  57           HE       ARG  57  10.694 -11.075  -8.151
  439   HH11  ARG  57          HH11      ARG  57  12.417  -9.779  -5.379
  440   HH12  ARG  57          HH12      ARG  57  12.378  -8.147  -5.970
  441   HH21  ARG  57          HH21      ARG  57  10.649  -8.918  -8.908
  442   HH22  ARG  57          HH22      ARG  57  11.381  -7.662  -7.958
  443    H    TRP  58           H        TRP  58   8.697  -9.153  -5.262
  444    HA   TRP  58           HA       TRP  58   6.127  -8.977  -3.905
  445    HB2  TRP  58           HB2      TRP  58   7.807  -6.854  -5.257
  446    HB3  TRP  58           HB1      TRP  58   6.305  -6.554  -4.387
  447    HD1  TRP  58           HD1      TRP  58   9.988  -7.326  -3.828
  448    HE1  TRP  58           HE1      TRP  58  10.541  -6.986  -1.339
  449    HE3  TRP  58           HE3      TRP  58   5.253  -6.661  -2.032
  450    HZ2  TRP  58           HZ2      TRP  58   9.148  -6.521   1.068
  451    HZ3  TRP  58           HZ3      TRP  58   4.948  -6.269   0.373
  452    HH2  TRP  58           HH2      TRP  58   6.857  -6.197   1.892
  453    H    LYS  59           H        LYS  59   4.295  -9.337  -4.978
  454    HA   LYS  59           HA       LYS  59   4.158  -8.998  -7.853
  455    HB2  LYS  59           HB2      LYS  59   1.926  -9.496  -5.868
  456    HB3  LYS  59           HB1      LYS  59   1.786  -9.583  -7.617
  457    HG2  LYS  59           HG2      LYS  59   3.491 -11.437  -7.546
  458    HG3  LYS  59           HG1      LYS  59   3.295 -11.428  -5.793
  459    HD2  LYS  59           HD2      LYS  59   0.884 -11.835  -6.080
  460    HD3  LYS  59           HD1      LYS  59   1.118 -11.904  -7.827
  461    HE2  LYS  59           HE2      LYS  59   1.048 -14.145  -7.062
  462    HE3  LYS  59           HE1      LYS  59   2.734 -13.788  -7.426
  463    HZ1  LYS  59           HZ1      LYS  59   2.592 -14.959  -5.359
  464    HZ2  LYS  59           HZ2      LYS  59   1.481 -13.850  -4.740
  465    HZ3  LYS  59           HZ3      LYS  59   3.072 -13.370  -5.039
  466    H    GLU  60           H        GLU  60   3.350  -7.214  -8.898
  467    HA   GLU  60           HA       GLU  60   2.652  -4.954  -7.143
  468    HB2  GLU  60           HB2      GLU  60   4.010  -4.949  -9.842
  469    HB3  GLU  60           HB1      GLU  60   3.495  -3.500  -8.989
  470    HG2  GLU  60           HG2      GLU  60   5.002  -4.066  -7.148
  471    HG3  GLU  60           HG1      GLU  60   5.538  -5.490  -8.034
  472    H    ALA  61           H        ALA  61   0.682  -4.208  -7.279
  473    HA   ALA  61           HA       ALA  61  -0.788  -4.508  -9.821
  474    HB1  ALA  61           HB1      ALA  61  -2.851  -4.594  -8.523
  475    HB2  ALA  61           HB2      ALA  61  -1.930  -4.444  -7.027
  476    HB3  ALA  61           HB3      ALA  61  -1.752  -5.883  -8.032
  477    H    THR  62           H        THR  62  -1.608  -2.670 -10.709
  478    HA   THR  62           HA       THR  62  -1.083  -0.174  -9.259
  479    HB   THR  62           HB       THR  62  -1.682  -0.518 -12.204
  480    HG1  THR  62           HG1      THR  62   0.394  -1.434 -11.141
  481   HG21  THR  62          HG21      THR  62  -0.705   1.731 -12.384
  482   HG22  THR  62          HG22      THR  62  -0.519   1.785 -10.631
  483   HG23  THR  62          HG23      THR  62  -2.130   1.724 -11.345
  484    H    ILE  63           H        ILE  63  -2.736   0.769  -8.311
  485    HA   ILE  63           HA       ILE  63  -5.455   0.332  -9.374
  486    HB   ILE  63           HB       ILE  63  -4.594   1.022  -6.553
  487   HG12  ILE  63          HG12      ILE  63  -5.882  -1.236  -6.180
  488   HG13  ILE  63          HG11      ILE  63  -5.481  -1.516  -7.868
  489   HG21  ILE  63          HG21      ILE  63  -6.937   0.828  -5.939
  490   HG22  ILE  63          HG22      ILE  63  -7.366   0.526  -7.620
  491   HG23  ILE  63          HG23      ILE  63  -6.712   2.093  -7.147
  492   HD11  ILE  63          HD11      ILE  63  -3.862  -2.551  -6.385
  493   HD12  ILE  63          HD12      ILE  63  -3.515  -0.984  -5.652
  494   HD13  ILE  63          HD13      ILE  63  -3.112  -1.275  -7.344
  495    HA   PRO  64           HA       PRO  64  -5.430   4.692 -10.550
  496    HB2  PRO  64           HB2      PRO  64  -8.347   4.178 -10.144
  497    HB3  PRO  64           HB1      PRO  64  -7.524   4.995 -11.479
  498    HG2  PRO  64           HG2      PRO  64  -8.412   2.503 -11.764
  499    HG3  PRO  64           HG1      PRO  64  -6.864   3.003 -12.466
  500    HD2  PRO  64           HD2      PRO  64  -7.400   1.322 -10.071
  501    HD3  PRO  64           HD1      PRO  64  -6.056   1.250 -11.227
  502    H    GLY  65           H        GLY  65  -5.504   6.555  -9.392
  503    HA2  GLY  65           HA2      GLY  65  -5.646   6.311  -6.547
  504    HA3  GLY  65           HA1      GLY  65  -5.276   7.767  -7.451
  505    H    HIS  66           H        HIS  66  -8.155   5.703  -7.349
  506    HA   HIS  66           HA       HIS  66  -9.657   7.557  -5.790
  507    HB2  HIS  66           HB2      HIS  66 -11.423   7.908  -7.618
  508    HB3  HIS  66           HB1      HIS  66  -9.959   8.874  -7.707
  509    HD1  HIS  66           HD1      HIS  66  -8.825   8.903  -9.902
  510    HD2  HIS  66           HD2      HIS  66 -11.309   5.592  -9.482
  511    HE1  HIS  66           HE1      HIS  66  -8.804   7.750 -12.139
  512    HE2  HIS  66           HE2      HIS  66 -10.334   5.764 -11.874
  513    H    LEU  67           H        LEU  67  -8.924   4.593  -6.373
  514    HA   LEU  67           HA       LEU  67 -11.651   3.528  -6.132
  515    HB2  LEU  67           HB2      LEU  67  -9.042   2.085  -6.612
  516    HB3  LEU  67           HB1      LEU  67 -10.595   1.299  -6.427
  517    HG   LEU  67           HG       LEU  67  -9.726   3.101  -8.682
  518   HD11  LEU  67          HD11      LEU  67  -8.904   0.814  -8.804
  519   HD12  LEU  67          HD12      LEU  67 -10.107   1.126 -10.052
  520   HD13  LEU  67          HD13      LEU  67 -10.547   0.204  -8.615
  521   HD21  LEU  67          HD21      LEU  67 -11.949   2.660  -9.648
  522   HD22  LEU  67          HD22      LEU  67 -12.025   3.619  -8.172
  523   HD23  LEU  67          HD23      LEU  67 -12.436   1.905  -8.132
  524    H    ASN  68           H        ASN  68  -8.461   3.375  -4.655
  525    HA   ASN  68           HA       ASN  68  -7.765   3.336  -2.509
  526    HB2  ASN  68           HB2      ASN  68 -10.669   3.817  -1.810
  527    HB3  ASN  68           HB1      ASN  68  -9.305   3.979  -0.709
  528   HD21  ASN  68          HD21      ASN  68 -11.265   5.950  -1.522
  529   HD22  ASN  68          HD22      ASN  68 -10.374   7.261  -2.216
  530    H    SER  69           H        SER  69  -9.045   0.938  -3.928
  531    HA   SER  69           HA       SER  69  -8.646  -0.899  -1.759
  532    HB2  SER  69           HB2      SER  69 -10.889  -1.998  -2.081
  533    HB3  SER  69           HB1      SER  69 -10.963  -0.405  -1.328
  534    HG   SER  69           HG       SER  69 -12.324   0.010  -2.869
  535    H    TYR  70           H        TYR  70  -8.292  -3.027  -2.483
  536    HA   TYR  70           HA       TYR  70  -8.595  -3.557  -5.340
  537    HB2  TYR  70           HB2      TYR  70  -6.297  -2.683  -5.058
  538    HB3  TYR  70           HB1      TYR  70  -5.974  -3.942  -3.874
  539    HD1  TYR  70           HD1      TYR  70  -4.937  -5.878  -4.595
  540    HD2  TYR  70           HD2      TYR  70  -7.148  -3.575  -7.407
  541    HE1  TYR  70           HE1      TYR  70  -4.230  -7.403  -6.391
  542    HE2  TYR  70           HE2      TYR  70  -6.448  -5.094  -9.210
  543    HH   TYR  70           HH       TYR  70  -5.036  -8.108  -8.627
  544    H    THR  71           H        THR  71  -9.050  -5.656  -5.801
  545    HA   THR  71           HA       THR  71  -9.354  -7.476  -3.538
  546    HB   THR  71           HB       THR  71 -10.157  -7.940  -6.416
  547    HG1  THR  71           HG1      THR  71 -11.132  -6.131  -4.809
  548   HG21  THR  71          HG21      THR  71 -10.038  -9.962  -5.040
  549   HG22  THR  71          HG22      THR  71 -11.712  -9.569  -5.435
  550   HG23  THR  71          HG23      THR  71 -11.077  -9.208  -3.830
  551    H    ILE  72           H        ILE  72  -7.393  -8.337  -3.047
  552    HA   ILE  72           HA       ILE  72  -5.540  -9.141  -5.114
  553    HB   ILE  72           HB       ILE  72  -5.386  -9.734  -2.153
  554   HG12  ILE  72          HG12      ILE  72  -4.108  -7.461  -3.689
  555   HG13  ILE  72          HG11      ILE  72  -5.505  -7.292  -2.631
  556   HG21  ILE  72          HG21      ILE  72  -3.970 -11.161  -3.514
  557   HG22  ILE  72          HG22      ILE  72  -2.987 -10.014  -2.603
  558   HG23  ILE  72          HG23      ILE  72  -3.288  -9.748  -4.319
  559   HD11  ILE  72          HD11      ILE  72  -3.525  -6.583  -1.471
  560   HD12  ILE  72          HD12      ILE  72  -2.725  -8.117  -1.825
  561   HD13  ILE  72          HD13      ILE  72  -4.118  -8.077  -0.745
  562    H    LYS  73           H        LYS  73  -5.995 -10.895  -6.254
  563    HA   LYS  73           HA       LYS  73  -7.331 -13.155  -4.947
  564    HB2  LYS  73           HB2      LYS  73  -6.856 -12.637  -7.891
  565    HB3  LYS  73           HB1      LYS  73  -7.840 -13.924  -7.206
  566    HG2  LYS  73           HG2      LYS  73  -9.389 -12.293  -6.299
  567    HG3  LYS  73           HG1      LYS  73  -8.384 -10.977  -6.908
  568    HD2  LYS  73           HD2      LYS  73  -8.764 -11.789  -9.205
  569    HD3  LYS  73           HD1      LYS  73  -9.823 -13.047  -8.564
  570    HE2  LYS  73           HE2      LYS  73 -11.293 -11.330  -7.629
  571    HE3  LYS  73           HE1      LYS  73 -10.236 -10.074  -8.267
  572    HZ1  LYS  73           HZ1      LYS  73 -10.726 -10.826 -10.497
  573    HZ2  LYS  73           HZ2      LYS  73 -12.162 -10.454  -9.682
  574    HZ3  LYS  73           HZ3      LYS  73 -11.710 -12.065  -9.900
  575    H    GLY  74           H        GLY  74  -6.209 -14.900  -4.414
  576    HA2  GLY  74           HA2      GLY  74  -4.649 -16.637  -5.235
  577    HA3  GLY  74           HA1      GLY  74  -3.587 -15.322  -5.716
  578    H    LEU  75           H        LEU  75  -5.323 -15.089  -2.726
  579    HA   LEU  75           HA       LEU  75  -2.795 -15.470  -1.276
  580    HB2  LEU  75           HB2      LEU  75  -5.328 -14.100  -0.372
  581    HB3  LEU  75           HB1      LEU  75  -3.853 -14.233   0.562
  582    HG   LEU  75           HG       LEU  75  -4.305 -12.618  -1.936
  583   HD11  LEU  75          HD11      LEU  75  -5.065 -11.640   0.169
  584   HD12  LEU  75          HD12      LEU  75  -3.697 -10.755  -0.506
  585   HD13  LEU  75          HD13      LEU  75  -3.452 -11.857   0.849
  586   HD21  LEU  75          HD21      LEU  75  -2.120 -13.683  -2.109
  587   HD22  LEU  75          HD22      LEU  75  -1.708 -13.131  -0.486
  588   HD23  LEU  75          HD23      LEU  75  -1.950 -11.959  -1.782
  589    H    LYS  76           H        LYS  76  -2.560 -17.064   0.161
  590    HA   LYS  76           HA       LYS  76  -4.806 -18.917   0.460
  591    HB2  LYS  76           HB2      LYS  76  -1.847 -19.232   0.974
  592    HB3  LYS  76           HB1      LYS  76  -3.040 -20.489   1.269
  593    HG2  LYS  76           HG2      LYS  76  -3.610 -20.534  -1.091
  594    HG3  LYS  76           HG1      LYS  76  -2.463 -19.230  -1.405
  595    HD2  LYS  76           HD2      LYS  76  -1.549 -21.744  -0.082
  596    HD3  LYS  76           HD1      LYS  76  -1.761 -21.702  -1.832
  597    HE2  LYS  76           HE2      LYS  76  -0.222 -19.777  -1.925
  598    HE3  LYS  76           HE1      LYS  76   0.013 -19.908  -0.182
  599    HZ1  LYS  76           HZ1      LYS  76   0.919 -22.116  -0.496
  600    HZ2  LYS  76           HZ2      LYS  76   1.788 -20.998  -1.420
  601    HZ3  LYS  76           HZ3      LYS  76   0.666 -22.020  -2.165
  602    HA   PRO  77           HA       PRO  77  -5.415 -17.412   4.660
  603    HB2  PRO  77           HB2      PRO  77  -7.064 -19.866   4.829
  604    HB3  PRO  77           HB1      PRO  77  -7.509 -18.188   5.157
  605    HG2  PRO  77           HG2      PRO  77  -8.371 -19.439   2.961
  606    HG3  PRO  77           HG1      PRO  77  -7.926 -17.723   2.927
  607    HD2  PRO  77           HD2      PRO  77  -6.382 -20.104   1.972
  608    HD3  PRO  77           HD1      PRO  77  -6.550 -18.496   1.233
  609    H    GLY  78           H        GLY  78  -3.891 -17.758   6.122
  610    HA2  GLY  78           HA2      GLY  78  -3.088 -19.238   7.897
  611    HA3  GLY  78           HA1      GLY  78  -3.110 -20.546   6.720
  612    H    VAL  79           H        VAL  79  -2.124 -18.435   4.746
  613    HA   VAL  79           HA       VAL  79   0.723 -18.800   5.330
  614    HB   VAL  79           HB       VAL  79  -0.677 -17.972   2.773
  615   HG11  VAL  79          HG11      VAL  79   2.204 -18.656   3.301
  616   HG12  VAL  79          HG12      VAL  79   1.558 -17.105   2.754
  617   HG13  VAL  79          HG13      VAL  79   1.482 -18.521   1.698
  618   HG21  VAL  79          HG21      VAL  79  -1.208 -20.254   3.344
  619   HG22  VAL  79          HG22      VAL  79   0.500 -20.612   3.607
  620   HG23  VAL  79          HG23      VAL  79  -0.079 -20.226   1.986
  621    H    VAL  80           H        VAL  80   2.018 -17.075   5.809
  622    HA   VAL  80           HA       VAL  80   0.731 -14.535   6.278
  623    HB   VAL  80           HB       VAL  80   3.621 -15.324   6.688
  624   HG11  VAL  80          HG11      VAL  80   3.744 -13.345   8.136
  625   HG12  VAL  80          HG12      VAL  80   2.097 -12.914   7.673
  626   HG13  VAL  80          HG13      VAL  80   3.381 -12.914   6.464
  627   HG21  VAL  80          HG21      VAL  80   1.373 -15.121   8.684
  628   HG22  VAL  80          HG22      VAL  80   3.050 -15.546   9.034
  629   HG23  VAL  80          HG23      VAL  80   2.051 -16.620   8.056
  630    H    TYR  81           H        TYR  81   0.872 -12.728   5.120
  631    HA   TYR  81           HA       TYR  81   2.757 -12.667   2.858
  632    HB2  TYR  81           HB2      TYR  81  -0.088 -11.636   2.956
  633    HB3  TYR  81           HB1      TYR  81   1.041 -11.300   1.650
  634    HD1  TYR  81           HD1      TYR  81   1.719 -13.072   0.106
  635    HD2  TYR  81           HD2      TYR  81  -1.138 -13.801   3.172
  636    HE1  TYR  81           HE1      TYR  81   1.042 -15.148  -1.024
  637    HE2  TYR  81           HE2      TYR  81  -1.818 -15.881   2.050
  638    HH   TYR  81           HH       TYR  81  -0.010 -17.266  -0.495
  639    H    GLU  82           H        GLU  82   3.909 -10.835   2.579
  640    HA   GLU  82           HA       GLU  82   3.532  -8.670   4.538
  641    HB2  GLU  82           HB2      GLU  82   5.866  -9.298   2.704
  642    HB3  GLU  82           HB1      GLU  82   5.809  -7.960   3.842
  643    HG2  GLU  82           HG2      GLU  82   5.661 -10.863   4.606
  644    HG3  GLU  82           HG1      GLU  82   7.133  -9.894   4.612
  645    H    GLY  83           H        GLY  83   2.446  -6.910   3.799
  646    HA2  GLY  83           HA2      GLY  83   2.546  -6.436   0.887
  647    HA3  GLY  83           HA1      GLY  83   1.056  -6.296   1.807
  648    H    GLN  84           H        GLN  84   2.283  -4.349   0.128
  649    HA   GLN  84           HA       GLN  84   2.485  -2.164   2.063
  650    HB2  GLN  84           HB2      GLN  84   4.382  -2.508  -0.268
  651    HB3  GLN  84           HB1      GLN  84   4.340  -1.141   0.834
  652    HG2  GLN  84           HG2      GLN  84   4.935  -2.649   2.682
  653    HG3  GLN  84           HG1      GLN  84   5.041  -3.979   1.533
  654   HE21  GLN  84          HE21      GLN  84   7.182  -4.341   1.962
  655   HE22  GLN  84          HE22      GLN  84   8.437  -3.272   1.438
  656    H    LEU  85           H        LEU  85   1.512  -0.321   1.421
  657    HA   LEU  85           HA       LEU  85   0.398  -0.252  -1.303
  658    HB2  LEU  85           HB2      LEU  85  -1.219  -0.290   0.630
  659    HB3  LEU  85           HB1      LEU  85  -0.564   1.250   1.140
  660    HG   LEU  85           HG       LEU  85  -2.771   1.275  -0.143
  661   HD11  LEU  85          HD11      LEU  85  -1.422   3.283   0.242
  662   HD12  LEU  85          HD12      LEU  85  -2.235   3.321  -1.321
  663   HD13  LEU  85          HD13      LEU  85  -0.514   2.947  -1.231
  664   HD21  LEU  85          HD21      LEU  85  -2.028  -0.350  -1.867
  665   HD22  LEU  85          HD22      LEU  85  -0.945   0.882  -2.507
  666   HD23  LEU  85          HD23      LEU  85  -2.690   1.139  -2.532
  667    H    ILE  86           H        ILE  86   1.265   1.180  -2.623
  668    HA   ILE  86           HA       ILE  86   2.829   3.402  -1.469
  669    HB   ILE  86           HB       ILE  86   3.317   2.127  -4.157
  670   HG12  ILE  86          HG12      ILE  86   4.968   1.551  -1.713
  671   HG13  ILE  86          HG11      ILE  86   3.542   0.586  -2.076
  672   HG21  ILE  86          HG21      ILE  86   4.209   4.387  -3.816
  673   HG22  ILE  86          HG22      ILE  86   5.502   3.195  -3.961
  674   HG23  ILE  86          HG23      ILE  86   5.062   3.828  -2.374
  675   HD11  ILE  86          HD11      ILE  86   4.485  -0.071  -4.192
  676   HD12  ILE  86          HD12      ILE  86   5.607  -0.436  -2.881
  677   HD13  ILE  86          HD13      ILE  86   5.887   0.965  -3.915
  678    H    SER  87           H        SER  87   1.757   5.261  -1.761
  679    HA   SER  87           HA       SER  87  -0.009   5.556  -4.056
  680    HB2  SER  87           HB2      SER  87  -0.471   7.814  -2.843
  681    HB3  SER  87           HB1      SER  87  -1.082   6.323  -2.131
  682    HG   SER  87           HG       SER  87   0.561   8.118  -1.056
  683    H    ILE  88           H        ILE  88   0.590   6.541  -5.849
  684    HA   ILE  88           HA       ILE  88   3.026   8.190  -5.832
  685    HB   ILE  88           HB       ILE  88   1.549   7.090  -8.229
  686   HG12  ILE  88          HG12      ILE  88   2.375   5.242  -6.850
  687   HG13  ILE  88          HG11      ILE  88   3.288   5.363  -8.349
  688   HG21  ILE  88          HG21      ILE  88   3.636   7.569  -9.424
  689   HG22  ILE  88          HG22      ILE  88   4.319   8.249  -7.947
  690   HG23  ILE  88          HG23      ILE  88   2.934   9.025  -8.717
  691   HD11  ILE  88          HD11      ILE  88   4.183   6.318  -5.641
  692   HD12  ILE  88          HD12      ILE  88   5.101   6.474  -7.140
  693   HD13  ILE  88          HD13      ILE  88   4.745   4.875  -6.484
  694    H    GLN  89           H        GLN  89   2.617  10.300  -5.605
  695    HA   GLN  89           HA       GLN  89   0.045  11.380  -6.351
  696    HB2  GLN  89           HB2      GLN  89   2.479  12.711  -5.184
  697    HB3  GLN  89           HB1      GLN  89   0.941  13.510  -5.467
  698    HG2  GLN  89           HG2      GLN  89  -0.144  12.020  -3.887
  699    HG3  GLN  89           HG1      GLN  89   1.388  11.185  -3.615
  700   HE21  GLN  89          HE21      GLN  89   1.490  11.699  -1.462
  701   HE22  GLN  89          HE22      GLN  89   1.825  13.311  -0.913
  702    H    GLN  90           H        GLN  90   0.225  13.729  -7.299
  703    HA   GLN  90           HA       GLN  90   0.762  13.412 -10.013
  704    HB2  GLN  90           HB2      GLN  90  -0.866  15.007  -9.057
  705    HB3  GLN  90           HB1      GLN  90   0.468  15.996  -8.480
  706    HG2  GLN  90           HG2      GLN  90   1.177  16.431 -10.742
  707    HG3  GLN  90           HG1      GLN  90  -0.065  15.346 -11.366
  708   HE21  GLN  90          HE21      GLN  90   0.593  18.450  -9.981
  709   HE22  GLN  90          HE22      GLN  90  -0.959  19.139 -10.283
  710    H    TYR  91           H        TYR  91   2.689  15.006  -7.489
  711    HA   TYR  91           HA       TYR  91   4.664  15.772  -9.500
  712    HB2  TYR  91           HB2      TYR  91   4.527  16.459  -6.558
  713    HB3  TYR  91           HB1      TYR  91   5.694  17.103  -7.709
  714    HD1  TYR  91           HD1      TYR  91   2.458  17.521  -6.259
  715    HD2  TYR  91           HD2      TYR  91   4.783  18.406  -9.706
  716    HE1  TYR  91           HE1      TYR  91   0.879  19.302  -6.855
  717    HE2  TYR  91           HE2      TYR  91   3.213  20.193 -10.311
  718    HH   TYR  91           HH       TYR  91   0.740  21.294  -8.178
  719    H    GLY  92           H        GLY  92   4.131  13.001  -8.227
  720    HA2  GLY  92           HA2      GLY  92   5.617  11.208  -8.391
  721    HA3  GLY  92           HA1      GLY  92   6.957  12.334  -8.274
  722    H    HIS  93           H        HIS  93   4.818  13.070  -5.832
  723    HA   HIS  93           HA       HIS  93   6.517  12.121  -3.785
  724    HB2  HIS  93           HB2      HIS  93   4.718  14.007  -3.653
  725    HB3  HIS  93           HB1      HIS  93   3.594  12.697  -3.338
  726    HD1  HIS  93           HD1      HIS  93   3.872  11.393  -1.090
  727    HD2  HIS  93           HD2      HIS  93   6.363  14.700  -1.530
  728    HE1  HIS  93           HE1      HIS  93   4.787  11.872   1.204
  729    HE2  HIS  93           HE2      HIS  93   6.110  13.996   0.944
  730    H    GLN  94           H        GLN  94   6.608  10.194  -2.777
  731    HA   GLN  94           HA       GLN  94   4.477   8.248  -3.376
  732    HB2  GLN  94           HB2      GLN  94   7.381   7.606  -2.855
  733    HB3  GLN  94           HB1      GLN  94   6.123   6.487  -3.355
  734    HG2  GLN  94           HG2      GLN  94   5.944   7.673  -5.495
  735    HG3  GLN  94           HG1      GLN  94   7.249   8.745  -4.991
  736   HE21  GLN  94          HE21      GLN  94   7.130   6.943  -7.254
  737   HE22  GLN  94          HE22      GLN  94   8.456   5.845  -7.075
  738    H    GLU  95           H        GLU  95   3.388   7.598  -1.649
  739    HA   GLU  95           HA       GLU  95   4.748   7.631   0.963
  740    HB2  GLU  95           HB2      GLU  95   1.780   7.409   0.424
  741    HB3  GLU  95           HB1      GLU  95   2.547   7.567   1.994
  742    HG2  GLU  95           HG2      GLU  95   1.755   9.690   1.596
  743    HG3  GLU  95           HG1      GLU  95   3.435   9.808   1.077
  744    H    VAL  96           H        VAL  96   5.108   5.736   1.999
  745    HA   VAL  96           HA       VAL  96   3.952   3.322   0.768
  746    HB   VAL  96           HB       VAL  96   6.659   3.555   2.093
  747   HG11  VAL  96          HG11      VAL  96   5.352   1.216   0.705
  748   HG12  VAL  96          HG12      VAL  96   5.610   1.374   2.443
  749   HG13  VAL  96          HG13      VAL  96   6.994   1.250   1.353
  750   HG21  VAL  96          HG21      VAL  96   6.697   4.636  -0.063
  751   HG22  VAL  96          HG22      VAL  96   5.896   3.256  -0.813
  752   HG23  VAL  96          HG23      VAL  96   7.536   3.088  -0.182
  753    H    THR  97           H        THR  97   2.480   2.482   2.063
  754    HA   THR  97           HA       THR  97   3.086   2.352   4.935
  755    HB   THR  97           HB       THR  97   1.167   3.841   4.462
  756    HG1  THR  97           HG1      THR  97  -0.148   2.949   6.034
  757   HG21  THR  97          HG21      THR  97  -0.935   2.835   3.681
  758   HG22  THR  97          HG22      THR  97  -0.068   1.326   3.383
  759   HG23  THR  97          HG23      THR  97   0.343   2.772   2.465
  760    H    ARG  98           H        ARG  98   3.128   0.355   5.820
  761    HA   ARG  98           HA       ARG  98   2.724  -1.865   3.951
  762    HB2  ARG  98           HB2      ARG  98   4.187  -1.999   6.579
  763    HB3  ARG  98           HB1      ARG  98   4.286  -3.116   5.228
  764    HG2  ARG  98           HG2      ARG  98   5.276  -1.199   3.895
  765    HG3  ARG  98           HG1      ARG  98   5.423  -0.347   5.429
  766    HD2  ARG  98           HD2      ARG  98   6.707  -2.955   4.654
  767    HD3  ARG  98           HD1      ARG  98   7.511  -1.419   4.970
  768    HE   ARG  98           HE       ARG  98   6.160  -2.022   7.285
  769   HH11  ARG  98          HH11      ARG  98   8.654  -3.538   5.354
  770   HH12  ARG  98          HH12      ARG  98   9.331  -4.413   6.688
  771   HH21  ARG  98          HH21      ARG  98   7.052  -3.171   9.044
  772   HH22  ARG  98          HH22      ARG  98   8.421  -4.207   8.784
  773    H    PHE  99           H        PHE  99   1.771  -3.852   4.704
  774    HA   PHE  99           HA       PHE  99   0.243  -3.674   7.179
  775    HB2  PHE  99           HB2      PHE  99  -1.845  -4.377   6.134
  776    HB3  PHE  99           HB1      PHE  99  -1.298  -2.854   5.451
  777    HD1  PHE  99           HD1      PHE  99  -1.869  -6.406   4.819
  778    HD2  PHE  99           HD2      PHE  99  -0.579  -2.711   3.145
  779    HE1  PHE  99           HE1      PHE  99  -2.088  -7.357   2.560
  780    HE2  PHE  99           HE2      PHE  99  -0.795  -3.655   0.885
  781    HZ   PHE  99           HZ       PHE  99  -1.551  -5.982   0.591
  782    H    ASP 100           H        ASP 100  -0.780  -5.774   7.737
  783    HA   ASP 100           HA       ASP 100   0.882  -8.024   6.817
  784    HB2  ASP 100           HB2      ASP 100   1.687  -7.470   8.995
  785    HB3  ASP 100           HB1      ASP 100   0.056  -7.271   9.624
  786    H    PHE 101           H        PHE 101  -0.155  -9.909   6.399
  787    HA   PHE 101           HA       PHE 101  -2.854 -10.331   7.362
  788    HB2  PHE 101           HB2      PHE 101  -3.328  -9.119   5.315
  789    HB3  PHE 101           HB1      PHE 101  -2.232 -10.156   4.404
  790    HD1  PHE 101           HD1      PHE 101  -5.348 -10.251   6.432
  791    HD2  PHE 101           HD2      PHE 101  -3.042 -12.051   3.340
  792    HE1  PHE 101           HE1      PHE 101  -7.208 -11.786   5.945
  793    HE2  PHE 101           HE2      PHE 101  -4.899 -13.589   2.846
  794    HZ   PHE 101           HZ       PHE 101  -6.984 -13.458   4.149
  795    H    THR 102           H        THR 102  -3.397 -12.455   7.504
  796    HA   THR 102           HA       THR 102  -2.017 -14.470   6.013
  797    HB   THR 102           HB       THR 102  -0.380 -14.123   7.815
  798    HG1  THR 102           HG1      THR 102  -0.833 -16.258   6.942
  799   HG21  THR 102          HG21      THR 102  -1.908 -13.337   9.568
  800   HG22  THR 102          HG22      THR 102  -0.905 -14.677  10.125
  801   HG23  THR 102          HG23      THR 102  -2.591 -14.958   9.689
  802    H    THR 103           H        THR 103  -4.189 -13.683   8.678
  803    HA   THR 103           HA       THR 103  -6.229 -15.344   7.490
  804    HB   THR 103           HB       THR 103  -5.449 -15.833  10.374
  805    HG1  THR 103           HG1      THR 103  -4.440 -16.872   8.104
  806   HG21  THR 103          HG21      THR 103  -7.839 -16.120   9.907
  807   HG22  THR 103          HG22      THR 103  -7.066 -17.669  10.244
  808   HG23  THR 103          HG23      THR 103  -7.449 -17.217   8.583
  809    H    THR 104           H        THR 104  -5.296 -13.431  10.342
  810    HA   THR 104           HA       THR 104  -7.863 -12.376  10.864
  811    HB   THR 104           HB       THR 104  -5.183 -11.125  11.506
  812    HG1  THR 104           HG1      THR 104  -6.585 -12.690  13.367
  813   HG21  THR 104          HG21      THR 104  -7.894 -10.867  12.817
  814   HG22  THR 104          HG22      THR 104  -7.058  -9.622  11.889
  815   HG23  THR 104          HG23      THR 104  -6.396 -10.166  13.430
  816    H    SER 105           H        SER 105  -8.951 -10.741   9.933
  817    HA   SER 105           HA       SER 105  -7.915  -9.532   7.546
  818    HB2  SER 105           HB2      SER 105 -10.496  -8.957   9.021
  819    HB3  SER 105           HB1      SER 105 -10.118  -8.502   7.360
  820    HG   SER 105           HG       SER 105 -10.000 -11.201   8.161
  821    H    THR 106           H        THR 106  -8.240  -8.641  10.882
  822    HA   THR 106           HA       THR 106  -7.754  -5.855  10.565
  823    HB   THR 106           HB       THR 106  -7.032  -7.496  12.997
  824    HG1  THR 106           HG1      THR 106  -9.556  -6.761  11.965
  825   HG21  THR 106          HG21      THR 106  -7.993  -4.652  12.650
  826   HG22  THR 106          HG22      THR 106  -6.341  -5.148  13.018
  827   HG23  THR 106          HG23      THR 106  -7.630  -5.432  14.189
  828    H    SER 107           H        SER 107  -5.921  -4.979   9.843
  829    HA   SER 107           HA       SER 107  -3.631  -6.651   9.389
  830    HB2  SER 107           HB2      SER 107  -2.826  -4.393   8.346
  831    HB3  SER 107           HB1      SER 107  -4.131  -5.297   7.574
  832    HG   SER 107           HG       SER 107  -4.179  -2.823   8.697
  833    H    THR 108           H        THR 108  -4.510  -4.335  11.788
  834    HA   THR 108           HA       THR 108  -1.758  -4.388  12.813
  835    HB   THR 108           HB       THR 108  -2.395  -1.942  13.618
  836    HG1  THR 108           HG1      THR 108  -3.508  -1.672  11.088
  837   HG21  THR 108          HG21      THR 108  -1.383  -2.624  10.858
  838   HG22  THR 108          HG22      THR 108  -0.417  -2.456  12.324
  839   HG23  THR 108          HG23      THR 108  -1.222  -1.049  11.632
  840    HA   PRO 109           HA       PRO 109  -3.875  -4.906  16.734
  841    HB2  PRO 109           HB2      PRO 109  -1.798  -4.661  18.390
  842    HB3  PRO 109           HB1      PRO 109  -1.919  -6.038  17.287
  843    HG2  PRO 109           HG2      PRO 109  -0.248  -3.576  17.071
  844    HG3  PRO 109           HG1      PRO 109   0.155  -5.245  16.638
  845    HD2  PRO 109           HD2      PRO 109  -0.672  -3.262  14.862
  846    HD3  PRO 109           HD1      PRO 109  -0.698  -5.006  14.543
  847    H    GLY 110           H        GLY 110  -2.898  -2.098  15.451
  848    HA2  GLY 110           HA2      GLY 110  -4.312  -0.494  17.334
  849    HA3  GLY 110           HA1      GLY 110  -2.577  -0.209  17.410
  850    H    SER 111           H        SER 111  -5.454   0.530  15.815
  851    HA   SER 111           HA       SER 111  -4.575   1.047  13.203
  852    HB2  SER 111           HB2      SER 111  -6.619   2.592  13.177
  853    HB3  SER 111           HB1      SER 111  -6.911   0.895  13.561
  854    HG   SER 111           HG       SER 111  -7.911   1.775  15.213
  855    H    ARG 112           H        ARG 112  -5.377   3.479  15.664
  856    HA   ARG 112           HA       ARG 112  -3.067   5.067  14.792
  857    HB2  ARG 112           HB2      ARG 112  -5.849   6.137  15.324
  858    HB3  ARG 112           HB1      ARG 112  -4.431   7.117  14.990
  859    HG2  ARG 112           HG2      ARG 112  -4.268   6.103  12.762
  860    HG3  ARG 112           HG1      ARG 112  -5.719   5.156  13.103
  861    HD2  ARG 112           HD2      ARG 112  -6.307   7.104  11.801
  862    HD3  ARG 112           HD1      ARG 112  -6.974   7.249  13.426
  863    HE   ARG 112           HE       ARG 112  -4.402   8.521  12.971
  864   HH11  ARG 112          HH11      ARG 112  -7.877   8.887  13.221
  865   HH12  ARG 112          HH12      ARG 112  -7.805  10.608  13.414
  866   HH21  ARG 112          HH21      ARG 112  -4.309  10.781  13.227
  867   HH22  ARG 112          HH22      ARG 112  -5.776  11.685  13.426
  868    H    SER 113           H        SER 113  -1.939   5.973  16.441
  869    HA   SER 113           HA       SER 113  -2.568   5.158  19.108
  870    HB2  SER 113           HB2      SER 113  -0.440   7.042  18.075
  871    HB3  SER 113           HB1      SER 113  -0.527   6.408  19.720
  872    HG   SER 113           HG       SER 113  -0.692   4.424  17.877
  873    H    HIS 114           H        HIS 114  -3.116   6.447  20.862
  874    HA   HIS 114           HA       HIS 114  -4.390   7.977  21.936
  875    HB2  HIS 114           HB2      HIS 114  -2.491   9.478  21.333
  876    HB3  HIS 114           HB1      HIS 114  -3.348   9.924  19.864
  877    HD1  HIS 114           HD1      HIS 114  -4.927  11.861  20.043
  878    HD2  HIS 114           HD2      HIS 114  -3.894  10.304  23.755
  879    HE1  HIS 114           HE1      HIS 114  -5.897  13.446  21.736
  880    HE2  HIS 114           HE2      HIS 114  -5.110  12.575  23.962
  881    H    HIS 115           H        HIS 115  -6.155   6.686  21.082
  882    HA   HIS 115           HA       HIS 115  -7.599   7.440  18.761
  883    HB2  HIS 115           HB2      HIS 115  -8.473   5.879  21.201
  884    HB3  HIS 115           HB1      HIS 115  -9.425   6.040  19.732
  885    HD1  HIS 115           HD1      HIS 115  -6.787   4.041  21.276
  886    HD2  HIS 115           HD2      HIS 115  -8.213   4.739  17.437
  887    HE1  HIS 115           HE1      HIS 115  -5.889   2.160  19.871
  888    HE2  HIS 115           HE2      HIS 115  -6.909   2.510  17.596
  889    H    HIS 116           H        HIS 116  -9.211   8.884  18.470
  890    HA   HIS 116           HA       HIS 116  -9.566  10.917  20.447
  891    HB2  HIS 116           HB2      HIS 116 -11.086  11.976  18.828
  892    HB3  HIS 116           HB1      HIS 116  -9.559  11.523  18.092
  893    HD1  HIS 116           HD1      HIS 116  -9.722  10.269  15.960
  894    HD2  HIS 116           HD2      HIS 116 -13.249  10.067  18.150
  895    HE1  HIS 116           HE1      HIS 116 -11.375   9.095  14.475
  896    HE2  HIS 116           HE2      HIS 116 -13.544   9.151  15.750
  897    H    HIS 117           H        HIS 117 -10.837   7.938  20.296
  898    HA   HIS 117           HA       HIS 117 -13.532   8.397  21.069
  899    HB2  HIS 117           HB2      HIS 117 -12.594   6.228  20.192
  900    HB3  HIS 117           HB1      HIS 117 -11.789   6.016  21.740
  901    HD1  HIS 117           HD1      HIS 117 -15.221   6.069  20.192
  902    HD2  HIS 117           HD2      HIS 117 -13.387   5.049  23.780
  903    HE1  HIS 117           HE1      HIS 117 -16.976   4.866  21.532
  904    HE2  HIS 117           HE2      HIS 117 -15.883   4.374  23.746
  905    H    HIS 118           H        HIS 118 -10.545   8.803  22.618
  906    HA   HIS 118           HA       HIS 118 -11.593   8.569  25.316
  907    HB2  HIS 118           HB2      HIS 118  -8.888   9.355  24.222
  908    HB3  HIS 118           HB1      HIS 118  -9.277   9.418  25.936
  909    HD1  HIS 118           HD1      HIS 118  -8.291   7.459  27.076
  910    HD2  HIS 118           HD2      HIS 118  -9.693   6.490  23.284
  911    HE1  HIS 118           HE1      HIS 118  -7.878   4.995  26.809
  912    HE2  HIS 118           HE2      HIS 118  -8.908   4.403  24.591
  913    H    HIS 119           H        HIS 119 -12.013  10.287  26.679
  914    HA   HIS 119           HA       HIS 119 -12.143  12.921  25.365
  915    HB2  HIS 119           HB2      HIS 119 -14.361  11.883  25.837
  916    HB3  HIS 119           HB1      HIS 119 -13.948  11.842  27.545
  917    HD1  HIS 119           HD1      HIS 119 -14.204  14.011  28.871
  918    HD2  HIS 119           HD2      HIS 119 -14.911  14.469  24.803
  919    HE1  HIS 119           HE1      HIS 119 -15.226  16.292  28.617
  920    HE2  HIS 119           HE2      HIS 119 -15.786  16.482  26.171
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1 -11.088  17.537   5.866
    2    H2   GLY   1           HT2      GLY   1 -10.921  16.712   7.331
    3    H3   GLY   1           HT3      GLY   1 -11.042  15.847   5.882
    4    HA2  GLY   1           HA1      GLY   1  -8.769  15.857   6.624
    5    HA3  GLY   1           HA2      GLY   1  -8.939  16.764   5.129
    6    H    SER   2           H        SER   2  -8.347  16.938   8.545
    7    HA   SER   2           HA       SER   2  -6.892  19.390   8.200
    8    HB2  SER   2           HB2      SER   2  -9.302  20.129   8.493
    9    HB3  SER   2           HB1      SER   2  -9.244  19.430  10.110
   10    HG   SER   2           HG       SER   2  -7.803  20.946  10.736
   11    H    GLN   3           H        GLN   3  -5.820  17.074   8.828
   12    HA   GLN   3           HA       GLN   3  -5.608  16.975  11.764
   13    HB2  GLN   3           HB2      GLN   3  -4.888  14.889   9.696
   14    HB3  GLN   3           HB1      GLN   3  -4.653  14.707  11.428
   15    HG2  GLN   3           HG2      GLN   3  -7.301  15.073  10.046
   16    HG3  GLN   3           HG1      GLN   3  -6.650  13.547  10.636
   17   HE21  GLN   3          HE21      GLN   3  -5.519  14.766  13.040
   18   HE22  GLN   3          HE22      GLN   3  -6.857  15.090  14.085
   19    H    THR   4           H        THR   4  -4.202  18.618   9.526
   20    HA   THR   4           HA       THR   4  -2.167  19.554   9.146
   21    HB   THR   4           HB       THR   4  -1.140  18.397  11.728
   22    HG1  THR   4           HG1      THR   4  -2.859  19.246  12.643
   23   HG21  THR   4          HG21      THR   4   0.369  19.783  10.376
   24   HG22  THR   4          HG22      THR   4  -0.036  20.580  11.895
   25   HG23  THR   4          HG23      THR   4  -0.812  21.092  10.397
   26    H    THR   5           H        THR   5  -2.621  17.124   7.955
   27    HA   THR   5           HA       THR   5  -0.501  15.266   8.523
   28    HB   THR   5           HB       THR   5  -1.504  14.181   6.361
   29    HG1  THR   5           HG1      THR   5  -2.918  15.555   5.530
   30   HG21  THR   5          HG21      THR   5  -3.025  14.407   8.960
   31   HG22  THR   5          HG22      THR   5  -1.774  13.228   8.569
   32   HG23  THR   5          HG23      THR   5  -3.321  13.185   7.723
   33    H    ALA   6           H        ALA   6   1.482  16.022   7.987
   34    HA   ALA   6           HA       ALA   6   2.083  17.328   5.540
   35    HB1  ALA   6           HB1      ALA   6   4.426  16.927   6.104
   36    HB2  ALA   6           HB2      ALA   6   3.935  15.832   7.395
   37    HB3  ALA   6           HB3      ALA   6   3.532  17.545   7.493
   38    HA   PRO   7           HA       PRO   7   3.102  12.943   3.861
   39    HB2  PRO   7           HB2      PRO   7   2.421  10.774   5.296
   40    HB3  PRO   7           HB1      PRO   7   3.980  11.579   5.519
   41    HG2  PRO   7           HG2      PRO   7   1.475  11.820   7.149
   42    HG3  PRO   7           HG1      PRO   7   3.152  11.635   7.700
   43    HD2  PRO   7           HD2      PRO   7   1.882  14.036   7.621
   44    HD3  PRO   7           HD1      PRO   7   3.632  13.861   7.390
   45    H    ASP   8           H        ASP   8   1.697  11.850   2.496
   46    HA   ASP   8           HA       ASP   8  -1.170  12.187   3.110
   47    HB2  ASP   8           HB2      ASP   8   0.230  12.175   0.426
   48    HB3  ASP   8           HB1      ASP   8  -1.519  12.181   0.629
   49    H    ALA   9           H        ALA   9   0.350  10.023   4.009
   50    HA   ALA   9           HA       ALA   9  -0.236   7.783   2.237
   51    HB1  ALA   9           HB1      ALA   9   1.192   6.489   3.646
   52    HB2  ALA   9           HB2      ALA   9   1.205   7.749   4.878
   53    HB3  ALA   9           HB3      ALA   9   1.997   8.026   3.331
   54    HA   PRO  10           HA       PRO  10  -3.975   6.649   4.457
   55    HB2  PRO  10           HB2      PRO  10  -3.122   3.933   3.585
   56    HB3  PRO  10           HB1      PRO  10  -4.680   4.743   3.380
   57    HG2  PRO  10           HG2      PRO  10  -3.018   4.474   1.323
   58    HG3  PRO  10           HG1      PRO  10  -3.949   5.967   1.547
   59    HD2  PRO  10           HD2      PRO  10  -1.068   5.438   2.105
   60    HD3  PRO  10           HD1      PRO  10  -1.830   6.881   1.458
   61    HA   PRO  11           HA       PRO  11  -1.921   5.823   8.338
   62    HB2  PRO  11           HB2      PRO  11  -4.733   5.286   9.150
   63    HB3  PRO  11           HB1      PRO  11  -3.525   6.336   9.895
   64    HG2  PRO  11           HG2      PRO  11  -5.509   7.368   8.462
   65    HG3  PRO  11           HG1      PRO  11  -3.871   8.043   8.363
   66    HD2  PRO  11           HD2      PRO  11  -5.321   6.292   6.428
   67    HD3  PRO  11           HD1      PRO  11  -4.192   7.627   6.121
   68    H    ASP  12           H        ASP  12  -4.548   3.654   7.264
   69    HA   ASP  12           HA       ASP  12  -2.844   1.377   7.773
   70    HB2  ASP  12           HB2      ASP  12  -4.186   0.248   9.357
   71    HB3  ASP  12           HB1      ASP  12  -4.036   1.887   9.974
   72    HA   PRO  13           HA       PRO  13  -5.496  -0.088   4.439
   73    HB2  PRO  13           HB2      PRO  13  -3.728  -2.399   4.382
   74    HB3  PRO  13           HB1      PRO  13  -3.961  -1.155   3.150
   75    HG2  PRO  13           HG2      PRO  13  -1.663  -1.404   4.570
   76    HG3  PRO  13           HG1      PRO  13  -2.255   0.154   3.963
   77    HD2  PRO  13           HD2      PRO  13  -2.488  -1.017   6.717
   78    HD3  PRO  13           HD1      PRO  13  -2.061   0.640   6.230
   79    H    THR  14           H        THR  14  -7.343  -1.000   5.048
   80    HA   THR  14           HA       THR  14  -7.344  -2.995   7.198
   81    HB   THR  14           HB       THR  14  -9.778  -1.692   5.996
   82    HG1  THR  14           HG1      THR  14  -7.949  -0.649   7.922
   83   HG21  THR  14          HG21      THR  14  -9.200  -2.822   8.740
   84   HG22  THR  14          HG22      THR  14 -10.150  -3.603   7.476
   85   HG23  THR  14          HG23      THR  14 -10.729  -2.114   8.222
   86    H    VAL  15           H        VAL  15  -7.547  -5.079   6.653
   87    HA   VAL  15           HA       VAL  15  -8.456  -5.722   3.956
   88    HB   VAL  15           HB       VAL  15  -7.084  -7.437   6.034
   89   HG11  VAL  15          HG11      VAL  15  -6.909  -9.134   4.253
   90   HG12  VAL  15          HG12      VAL  15  -7.936  -8.134   3.227
   91   HG13  VAL  15          HG13      VAL  15  -8.582  -8.817   4.719
   92   HG21  VAL  15          HG21      VAL  15  -5.190  -7.378   4.502
   93   HG22  VAL  15          HG22      VAL  15  -5.653  -5.744   4.974
   94   HG23  VAL  15          HG23      VAL  15  -6.104  -6.366   3.384
   95    H    ASP  16           H        ASP  16 -10.508  -6.175   3.661
   96    HA   ASP  16           HA       ASP  16 -11.991  -7.558   5.805
   97    HB2  ASP  16           HB2      ASP  16 -13.015  -5.597   3.739
   98    HB3  ASP  16           HB1      ASP  16 -14.051  -6.537   4.805
   99    H    GLN  17           H        GLN  17 -13.878  -8.827   4.926
  100    HA   GLN  17           HA       GLN  17 -14.620 -10.625   3.766
  101    HB2  GLN  17           HB2      GLN  17 -13.689  -8.890   1.487
  102    HB3  GLN  17           HB1      GLN  17 -14.577 -10.371   1.253
  103    HG2  GLN  17           HG2      GLN  17 -16.454  -9.476   2.502
  104    HG3  GLN  17           HG1      GLN  17 -15.553  -7.992   2.807
  105   HE21  GLN  17          HE21      GLN  17 -15.293  -6.510   1.172
  106   HE22  GLN  17          HE22      GLN  17 -16.183  -6.576  -0.307
  107    H    VAL  18           H        VAL  18 -12.547 -11.486   4.907
  108    HA   VAL  18           HA       VAL  18 -10.460 -12.345   3.111
  109    HB   VAL  18           HB       VAL  18 -10.977 -13.176   5.975
  110   HG11  VAL  18          HG11      VAL  18  -8.617 -13.862   5.960
  111   HG12  VAL  18          HG12      VAL  18  -8.525 -13.470   4.243
  112   HG13  VAL  18          HG13      VAL  18  -9.579 -14.772   4.795
  113   HG21  VAL  18          HG21      VAL  18  -9.235 -11.561   6.564
  114   HG22  VAL  18          HG22      VAL  18 -10.609 -10.770   5.792
  115   HG23  VAL  18          HG23      VAL  18  -9.129 -11.058   4.877
  116    H    ASP  19           H        ASP  19 -10.764 -13.955   1.748
  117    HA   ASP  19           HA       ASP  19 -12.538 -16.177   2.525
  118    HB2  ASP  19           HB2      ASP  19 -13.031 -14.754   0.428
  119    HB3  ASP  19           HB1      ASP  19 -11.638 -15.552  -0.290
  120    H    ASP  20           H        ASP  20 -11.443 -17.880   0.371
  121    HA   ASP  20           HA       ASP  20  -9.209 -18.940   1.837
  122    HB2  ASP  20           HB2      ASP  20 -10.573 -19.780  -0.719
  123    HB3  ASP  20           HB1      ASP  20  -9.128 -20.586  -0.126
  124    H    THR  21           H        THR  21  -9.611 -17.589  -1.438
  125    HA   THR  21           HA       THR  21  -6.695 -17.205  -1.515
  126    HB   THR  21           HB       THR  21  -7.004 -17.489  -4.059
  127    HG1  THR  21           HG1      THR  21  -9.308 -17.505  -4.032
  128   HG21  THR  21          HG21      THR  21  -5.799 -19.096  -2.705
  129   HG22  THR  21          HG22      THR  21  -6.804 -19.937  -3.884
  130   HG23  THR  21          HG23      THR  21  -7.315 -19.845  -2.198
  131    H    SER  22           H        SER  22  -9.114 -15.350  -0.944
  132    HA   SER  22           HA       SER  22  -8.110 -13.168  -2.571
  133    HB2  SER  22           HB2      SER  22 -10.417 -12.480  -3.255
  134    HB3  SER  22           HB1      SER  22  -9.877 -13.987  -3.996
  135    HG   SER  22           HG       SER  22 -11.203 -15.124  -2.685
  136    H    ILE  23           H        ILE  23  -8.311 -11.186  -1.653
  137    HA   ILE  23           HA       ILE  23  -9.958 -10.914   0.770
  138    HB   ILE  23           HB       ILE  23  -8.263  -9.633   1.914
  139   HG12  ILE  23          HG12      ILE  23  -6.229 -10.249  -0.203
  140   HG13  ILE  23          HG11      ILE  23  -7.288  -8.855  -0.390
  141   HG21  ILE  23          HG21      ILE  23  -7.089 -12.217   0.897
  142   HG22  ILE  23          HG22      ILE  23  -8.182 -12.033   2.269
  143   HG23  ILE  23          HG23      ILE  23  -6.560 -11.343   2.336
  144   HD11  ILE  23          HD11      ILE  23  -6.486  -8.137   1.908
  145   HD12  ILE  23          HD12      ILE  23  -5.334  -8.026   0.579
  146   HD13  ILE  23          HD13      ILE  23  -5.231  -9.364   1.728
  147    H    VAL  24           H        VAL  24 -10.597  -8.709   1.200
  148    HA   VAL  24           HA       VAL  24 -10.223  -6.895  -1.090
  149    HB   VAL  24           HB       VAL  24 -12.357  -6.825   1.059
  150   HG11  VAL  24          HG11      VAL  24 -13.368  -5.035  -0.281
  151   HG12  VAL  24          HG12      VAL  24 -11.982  -5.074  -1.371
  152   HG13  VAL  24          HG13      VAL  24 -11.769  -4.583   0.309
  153   HG21  VAL  24          HG21      VAL  24 -12.674  -8.649  -0.532
  154   HG22  VAL  24          HG22      VAL  24 -12.546  -7.511  -1.873
  155   HG23  VAL  24          HG23      VAL  24 -13.900  -7.400  -0.747
  156    H    VAL  25           H        VAL  25  -8.500  -5.675  -0.694
  157    HA   VAL  25           HA       VAL  25  -7.955  -4.820   2.044
  158    HB   VAL  25           HB       VAL  25  -6.043  -5.810   1.042
  159   HG11  VAL  25          HG11      VAL  25  -6.473  -3.983  -1.306
  160   HG12  VAL  25          HG12      VAL  25  -6.639  -5.741  -1.268
  161   HG13  VAL  25          HG13      VAL  25  -5.053  -5.002  -1.062
  162   HG21  VAL  25          HG21      VAL  25  -4.396  -4.011   1.005
  163   HG22  VAL  25          HG22      VAL  25  -5.528  -3.835   2.349
  164   HG23  VAL  25          HG23      VAL  25  -5.696  -2.821   0.915
  165    H    ARG  26           H        ARG  26  -8.641  -2.954   2.688
  166    HA   ARG  26           HA       ARG  26  -9.204  -0.840   0.716
  167    HB2  ARG  26           HB2      ARG  26 -10.365  -1.343   3.465
  168    HB3  ARG  26           HB1      ARG  26 -10.735   0.059   2.471
  169    HG2  ARG  26           HG2      ARG  26 -11.795  -1.300   0.822
  170    HG3  ARG  26           HG1      ARG  26 -11.249  -2.778   1.616
  171    HD2  ARG  26           HD2      ARG  26 -12.675  -2.410   3.476
  172    HD3  ARG  26           HD1      ARG  26 -13.040  -0.767   2.955
  173    HE   ARG  26           HE       ARG  26 -14.030  -2.039   0.914
  174   HH11  ARG  26          HH11      ARG  26 -14.149  -3.128   4.243
  175   HH12  ARG  26          HH12      ARG  26 -15.710  -3.873   4.063
  176   HH21  ARG  26          HH21      ARG  26 -16.048  -3.055   0.672
  177   HH22  ARG  26          HH22      ARG  26 -16.782  -3.845   2.034
  178    H    TRP  27           H        TRP  27  -8.728   1.349   1.341
  179    HA   TRP  27           HA       TRP  27  -7.078   1.719   3.706
  180    HB2  TRP  27           HB2      TRP  27  -5.331   2.946   2.409
  181    HB3  TRP  27           HB1      TRP  27  -5.379   1.223   2.063
  182    HD1  TRP  27           HD1      TRP  27  -6.132   4.623   0.451
  183    HE1  TRP  27           HE1      TRP  27  -6.282   4.302  -2.098
  184    HE3  TRP  27           HE3      TRP  27  -5.883  -0.482   0.254
  185    HZ2  TRP  27           HZ2      TRP  27  -6.284   2.173  -3.945
  186    HZ3  TRP  27           HZ3      TRP  27  -5.961  -1.579  -1.945
  187    HH2  TRP  27           HH2      TRP  27  -6.158  -0.277  -4.001
  188    H    SER  28           H        SER  28  -7.370   3.695   4.623
  189    HA   SER  28           HA       SER  28  -9.388   5.398   3.507
  190    HB2  SER  28           HB2      SER  28  -7.574   5.934   5.872
  191    HB3  SER  28           HB1      SER  28  -9.098   6.743   5.504
  192    HG   SER  28           HG       SER  28  -8.630   4.165   6.505
  193    H    ARG  29           H        ARG  29  -8.928   6.650   1.847
  194    HA   ARG  29           HA       ARG  29  -6.221   7.578   1.409
  195    HB2  ARG  29           HB2      ARG  29  -7.040   8.290  -0.798
  196    HB3  ARG  29           HB1      ARG  29  -7.377   6.597  -0.481
  197    HG2  ARG  29           HG2      ARG  29  -9.309   7.399  -1.497
  198    HG3  ARG  29           HG1      ARG  29  -9.706   7.376   0.220
  199    HD2  ARG  29           HD2      ARG  29  -9.096   9.771   0.334
  200    HD3  ARG  29           HD1      ARG  29  -8.876   9.760  -1.415
  201    HE   ARG  29           HE       ARG  29 -11.417   8.768  -0.918
  202   HH11  ARG  29          HH11      ARG  29  -9.678  11.776  -0.440
  203   HH12  ARG  29          HH12      ARG  29 -11.109  12.753  -0.565
  204   HH21  ARG  29          HH21      ARG  29 -13.288  10.061  -1.080
  205   HH22  ARG  29          HH22      ARG  29 -13.155  11.782  -0.923
  206    HA   PRO  30           HA       PRO  30  -6.578  11.745   2.806
  207    HB2  PRO  30           HB2      PRO  30  -5.778  13.077   0.472
  208    HB3  PRO  30           HB1      PRO  30  -4.717  12.529   1.772
  209    HG2  PRO  30           HG2      PRO  30  -5.338  11.240  -0.842
  210    HG3  PRO  30           HG1      PRO  30  -3.816  11.267   0.067
  211    HD2  PRO  30           HD2      PRO  30  -5.358   9.087   0.022
  212    HD3  PRO  30           HD1      PRO  30  -4.496   9.563   1.491
  213    H1   MET  31           HT1      MET  31  -8.054  31.441   2.250
  214    H2   MET  31           HT2      MET  31  -7.633  31.977   0.704
  215    H3   MET  31           HT3      MET  31  -9.260  31.791   1.117
  216    HA   MET  31           HA       MET  31  -8.604  34.112   1.102
  217    HB2  MET  31           HB2      MET  31  -9.193  33.000   3.856
  218    HB3  MET  31           HB1      MET  31  -9.381  34.684   3.389
  219    HG2  MET  31           HG2      MET  31 -11.055  33.994   1.714
  220    HG3  MET  31           HG1      MET  31 -10.910  32.337   2.294
  221    HE1  MET  31           HE1      MET  31 -13.521  32.203   2.731
  222    HE2  MET  31           HE2      MET  31 -13.694  33.849   2.119
  223    HE3  MET  31           HE3      MET  31 -14.418  33.403   3.663
  224    H    ARG  32           H        ARG  32  -7.121  32.530   3.934
  225    HA   ARG  32           HA       ARG  32  -4.889  34.420   3.732
  226    HB2  ARG  32           HB2      ARG  32  -5.773  32.592   5.971
  227    HB3  ARG  32           HB1      ARG  32  -4.302  33.553   6.017
  228    HG2  ARG  32           HG2      ARG  32  -7.070  34.696   5.712
  229    HG3  ARG  32           HG1      ARG  32  -6.199  34.564   7.242
  230    HD2  ARG  32           HD2      ARG  32  -4.431  35.992   6.380
  231    HD3  ARG  32           HD1      ARG  32  -5.244  36.086   4.820
  232    HE   ARG  32           HE       ARG  32  -7.017  36.965   6.803
  233   HH11  ARG  32          HH11      ARG  32  -4.033  37.944   5.272
  234   HH12  ARG  32          HH12      ARG  32  -4.317  39.640   5.498
  235   HH21  ARG  32          HH21      ARG  32  -7.403  39.207   7.104
  236   HH22  ARG  32          HH22      ARG  32  -6.232  40.355   6.538
  237    H    GLY  33           H        GLY  33  -2.864  33.748   3.267
  238    HA2  GLY  33           HA2      GLY  33  -1.112  32.229   2.957
  239    HA3  GLY  33           HA1      GLY  33  -2.230  30.908   3.272
  240    H    SER  34           H        SER  34  -0.322  31.142   1.118
  241    HA   SER  34           HA       SER  34  -1.875  31.680  -1.260
  242    HB2  SER  34           HB2      SER  34   0.912  30.528  -0.982
  243    HB3  SER  34           HB1      SER  34   0.183  31.157  -2.461
  244    HG   SER  34           HG       SER  34   1.203  32.511  -0.249
  245    H    ASN  35           H        ASN  35  -2.452  30.154  -2.810
  246    HA   ASN  35           HA       ASN  35  -2.914  27.482  -1.730
  247    HB2  ASN  35           HB2      ASN  35  -3.963  28.804  -4.246
  248    HB3  ASN  35           HB1      ASN  35  -4.433  27.211  -3.663
  249   HD21  ASN  35          HD21      ASN  35  -5.853  27.035  -1.968
  250   HD22  ASN  35          HD22      ASN  35  -6.708  28.388  -1.311
  251    H    ALA  36           H        ALA  36  -1.664  25.835  -2.265
  252    HA   ALA  36           HA       ALA  36  -0.117  25.981  -4.772
  253    HB1  ALA  36           HB1      ALA  36   1.648  24.708  -3.648
  254    HB2  ALA  36           HB2      ALA  36   0.708  24.714  -2.156
  255    HB3  ALA  36           HB3      ALA  36   1.332  26.228  -2.812
  256    HA   PRO  37           HA       PRO  37  -2.190  22.287  -6.130
  257    HB2  PRO  37           HB2      PRO  37   0.561  21.462  -6.947
  258    HB3  PRO  37           HB1      PRO  37  -0.938  21.457  -7.883
  259    HG2  PRO  37           HG2      PRO  37   0.887  23.350  -8.278
  260    HG3  PRO  37           HG1      PRO  37  -0.842  23.740  -8.297
  261    HD2  PRO  37           HD2      PRO  37   1.200  24.279  -6.192
  262    HD3  PRO  37           HD1      PRO  37  -0.208  25.245  -6.675
  263    H    GLN  38           H        GLN  38  -2.807  21.074  -4.450
  264    HA   GLN  38           HA       GLN  38  -1.062  20.240  -2.391
  265    HB2  GLN  38           HB2      GLN  38  -3.897  19.421  -3.027
  266    HB3  GLN  38           HB1      GLN  38  -3.048  18.987  -1.551
  267    HG2  GLN  38           HG2      GLN  38  -2.789  21.396  -1.045
  268    HG3  GLN  38           HG1      GLN  38  -3.762  21.761  -2.468
  269   HE21  GLN  38          HE21      GLN  38  -5.495  19.431  -2.035
  270   HE22  GLN  38          HE22      GLN  38  -6.533  19.859  -0.722
  271    HA   PRO  39           HA       PRO  39   0.336  16.349  -4.021
  272    HB2  PRO  39           HB2      PRO  39   1.373  15.357  -1.730
  273    HB3  PRO  39           HB1      PRO  39   2.165  16.639  -2.653
  274    HG2  PRO  39           HG2      PRO  39   0.458  16.843  -0.205
  275    HG3  PRO  39           HG1      PRO  39   1.969  17.688  -0.587
  276    HD2  PRO  39           HD2      PRO  39  -0.479  18.833  -0.868
  277    HD3  PRO  39           HD1      PRO  39   0.909  19.256  -1.889
  278    H    SER  40           H        SER  40  -2.146  16.863  -1.814
  279    HA   SER  40           HA       SER  40  -2.796  14.147  -1.187
  280    HB2  SER  40           HB2      SER  40  -4.622  16.558  -1.085
  281    HB3  SER  40           HB1      SER  40  -4.759  15.067  -0.155
  282    HG   SER  40           HG       SER  40  -2.651  15.651   0.767
  283    H    HIS  41           H        HIS  41  -2.366  14.381  -3.890
  284    HA   HIS  41           HA       HIS  41  -4.956  13.609  -4.981
  285    HB2  HIS  41           HB2      HIS  41  -4.512  16.050  -5.544
  286    HB3  HIS  41           HB1      HIS  41  -3.119  15.504  -6.467
  287    HD1  HIS  41           HD1      HIS  41  -6.776  15.889  -6.630
  288    HD2  HIS  41           HD2      HIS  41  -3.795  13.985  -8.815
  289    HE1  HIS  41           HE1      HIS  41  -7.821  15.311  -8.842
  290    HE2  HIS  41           HE2      HIS  41  -6.045  14.040 -10.093
  291    H    ILE  42           H        ILE  42  -4.139  11.530  -4.863
  292    HA   ILE  42           HA       ILE  42  -1.534  10.876  -5.869
  293    HB   ILE  42           HB       ILE  42  -3.796   9.227  -4.753
  294   HG12  ILE  42          HG12      ILE  42  -2.059   8.707  -3.010
  295   HG13  ILE  42          HG11      ILE  42  -1.008   9.888  -3.779
  296   HG21  ILE  42          HG21      ILE  42  -2.332   7.264  -4.861
  297   HG22  ILE  42          HG22      ILE  42  -1.162   8.202  -5.791
  298   HG23  ILE  42          HG23      ILE  42  -2.758   7.868  -6.462
  299   HD11  ILE  42          HD11      ILE  42  -3.671  10.432  -2.488
  300   HD12  ILE  42          HD12      ILE  42  -2.666  11.633  -3.296
  301   HD13  ILE  42          HD13      ILE  42  -2.081  10.832  -1.838
  302    H    SER  43           H        SER  43  -0.983   9.903  -7.737
  303    HA   SER  43           HA       SER  43  -2.867  10.111  -9.915
  304    HB2  SER  43           HB2      SER  43  -0.493  10.868 -10.111
  305    HB3  SER  43           HB1      SER  43   0.021   9.191  -9.944
  306    HG   SER  43           HG       SER  43  -0.423  10.317 -12.159
  307    H    LYS  44           H        LYS  44  -1.212   7.596  -8.103
  308    HA   LYS  44           HA       LYS  44  -3.162   5.648  -8.811
  309    HB2  LYS  44           HB2      LYS  44  -1.690   4.065  -9.957
  310    HB3  LYS  44           HB1      LYS  44  -1.828   5.562 -10.869
  311    HG2  LYS  44           HG2      LYS  44   0.341   6.288  -9.995
  312    HG3  LYS  44           HG1      LYS  44   0.481   4.770  -9.106
  313    HD2  LYS  44           HD2      LYS  44   0.381   3.540 -11.233
  314    HD3  LYS  44           HD1      LYS  44   0.299   5.075 -12.101
  315    HE2  LYS  44           HE2      LYS  44   2.476   5.703 -11.137
  316    HE3  LYS  44           HE1      LYS  44   2.559   4.133 -10.342
  317    HZ1  LYS  44           HZ1      LYS  44   3.822   4.128 -12.380
  318    HZ2  LYS  44           HZ2      LYS  44   2.463   4.597 -13.268
  319    HZ3  LYS  44           HZ3      LYS  44   2.500   3.081 -12.524
  320    H    TYR  45           H        TYR  45  -3.024   3.791  -7.537
  321    HA   TYR  45           HA       TYR  45  -1.027   3.911  -5.366
  322    HB2  TYR  45           HB2      TYR  45  -3.748   2.568  -5.405
  323    HB3  TYR  45           HB1      TYR  45  -2.634   2.576  -4.046
  324    HD1  TYR  45           HD1      TYR  45  -2.323   4.582  -2.705
  325    HD2  TYR  45           HD2      TYR  45  -5.052   4.533  -5.965
  326    HE1  TYR  45           HE1      TYR  45  -3.350   6.652  -1.867
  327    HE2  TYR  45           HE2      TYR  45  -6.085   6.604  -5.140
  328    HH   TYR  45           HH       TYR  45  -6.318   7.817  -3.000
  329    H    ILE  46           H        ILE  46   0.290   2.160  -5.059
  330    HA   ILE  46           HA       ILE  46  -0.159  -0.140  -6.844
  331    HB   ILE  46           HB       ILE  46   2.457   0.990  -5.833
  332   HG12  ILE  46          HG12      ILE  46   2.936   0.912  -8.360
  333   HG13  ILE  46          HG11      ILE  46   1.202   0.700  -8.559
  334   HG21  ILE  46          HG21      ILE  46   3.563  -0.866  -7.003
  335   HG22  ILE  46          HG22      ILE  46   1.986  -1.588  -7.323
  336   HG23  ILE  46          HG23      ILE  46   2.560  -1.427  -5.663
  337   HD11  ILE  46          HD11      ILE  46   1.793   3.007  -8.862
  338   HD12  ILE  46          HD12      ILE  46   2.589   3.046  -7.289
  339   HD13  ILE  46          HD13      ILE  46   0.841   2.834  -7.389
  340    H    LEU  47           H        LEU  47  -0.701  -1.933  -5.885
  341    HA   LEU  47           HA       LEU  47  -0.180  -2.272  -3.023
  342    HB2  LEU  47           HB2      LEU  47  -2.465  -2.659  -4.309
  343    HB3  LEU  47           HB1      LEU  47  -1.749  -4.204  -4.703
  344    HG   LEU  47           HG       LEU  47  -3.245  -4.432  -2.812
  345   HD11  LEU  47          HD11      LEU  47  -0.353  -4.685  -2.021
  346   HD12  LEU  47          HD12      LEU  47  -1.373  -5.915  -2.773
  347   HD13  LEU  47          HD13      LEU  47  -1.707  -5.378  -1.127
  348   HD21  LEU  47          HD21      LEU  47  -1.500  -2.418  -1.410
  349   HD22  LEU  47          HD22      LEU  47  -2.849  -3.304  -0.700
  350   HD23  LEU  47          HD23      LEU  47  -3.140  -2.141  -1.993
  351    H    ARG  48           H        ARG  48   1.643  -3.299  -2.512
  352    HA   ARG  48           HA       ARG  48   2.597  -5.437  -4.304
  353    HB2  ARG  48           HB2      ARG  48   4.075  -3.550  -2.495
  354    HB3  ARG  48           HB1      ARG  48   4.790  -5.079  -2.974
  355    HG2  ARG  48           HG2      ARG  48   4.550  -4.413  -5.324
  356    HG3  ARG  48           HG1      ARG  48   3.915  -2.852  -4.791
  357    HD2  ARG  48           HD2      ARG  48   6.004  -2.451  -3.560
  358    HD3  ARG  48           HD1      ARG  48   6.634  -3.987  -4.149
  359    HE   ARG  48           HE       ARG  48   5.935  -2.627  -6.400
  360   HH11  ARG  48          HH11      ARG  48   7.987  -1.900  -3.664
  361   HH12  ARG  48          HH12      ARG  48   9.099  -0.945  -4.592
  362   HH21  ARG  48          HH21      ARG  48   7.391  -1.395  -7.631
  363   HH22  ARG  48          HH22      ARG  48   8.760  -0.653  -6.851
  364    H    TRP  49           H        TRP  49   2.884  -7.462  -3.499
  365    HA   TRP  49           HA       TRP  49   2.886  -7.861  -0.626
  366    HB2  TRP  49           HB2      TRP  49   1.052  -9.443  -0.611
  367    HB3  TRP  49           HB1      TRP  49   0.489  -7.903  -1.246
  368    HD1  TRP  49           HD1      TRP  49   0.811 -11.548  -2.130
  369    HE1  TRP  49           HE1      TRP  49  -0.238 -11.972  -4.442
  370    HE3  TRP  49           HE3      TRP  49   0.166  -6.707  -3.636
  371    HZ2  TRP  49           HZ2      TRP  49  -1.205 -10.454  -6.615
  372    HZ3  TRP  49           HZ3      TRP  49  -0.829  -6.279  -5.840
  373    HH2  TRP  49           HH2      TRP  49  -1.497  -8.115  -7.302
  374    H    ARG  50           H        ARG  50   3.836  -9.749   0.037
  375    HA   ARG  50           HA       ARG  50   4.569 -11.741  -1.974
  376    HB2  ARG  50           HB2      ARG  50   6.878 -11.865  -1.204
  377    HB3  ARG  50           HB1      ARG  50   6.536 -10.237  -1.769
  378    HG2  ARG  50           HG2      ARG  50   6.477  -9.407   0.432
  379    HG3  ARG  50           HG1      ARG  50   6.417 -11.034   1.117
  380    HD2  ARG  50           HD2      ARG  50   8.684 -11.403  -0.000
  381    HD3  ARG  50           HD1      ARG  50   8.726  -9.651  -0.221
  382    HE   ARG  50           HE       ARG  50   8.192 -10.641   2.456
  383   HH11  ARG  50          HH11      ARG  50  10.609  -9.444   0.212
  384   HH12  ARG  50          HH12      ARG  50  11.649  -8.837   1.461
  385   HH21  ARG  50          HH21      ARG  50   9.549  -9.825   4.093
  386   HH22  ARG  50          HH22      ARG  50  11.054  -9.065   3.666
  387    HA   PRO  51           HA       PRO  51   3.395 -14.540   1.293
  388    HB2  PRO  51           HB2      PRO  51   4.920 -16.693   0.545
  389    HB3  PRO  51           HB1      PRO  51   3.384 -16.266  -0.216
  390    HG2  PRO  51           HG2      PRO  51   6.175 -15.690  -1.127
  391    HG3  PRO  51           HG1      PRO  51   4.771 -16.212  -2.078
  392    HD2  PRO  51           HD2      PRO  51   5.591 -13.651  -2.041
  393    HD3  PRO  51           HD1      PRO  51   3.872 -14.083  -2.150
  394    H    LYS  52           H        LYS  52   4.124 -14.241   3.271
  395    HA   LYS  52           HA       LYS  52   6.707 -13.343   3.916
  396    HB2  LYS  52           HB2      LYS  52   4.403 -13.153   5.138
  397    HB3  LYS  52           HB1      LYS  52   4.880 -14.661   5.893
  398    HG2  LYS  52           HG2      LYS  52   6.526 -12.149   6.015
  399    HG3  LYS  52           HG1      LYS  52   5.324 -12.604   7.223
  400    HD2  LYS  52           HD2      LYS  52   6.571 -14.683   7.644
  401    HD3  LYS  52           HD1      LYS  52   7.791 -14.170   6.476
  402    HE2  LYS  52           HE2      LYS  52   8.267 -12.199   7.834
  403    HE3  LYS  52           HE1      LYS  52   7.036 -12.693   8.993
  404    HZ1  LYS  52           HZ1      LYS  52   8.326 -14.707   9.418
  405    HZ2  LYS  52           HZ2      LYS  52   9.215 -13.313   9.766
  406    HZ3  LYS  52           HZ3      LYS  52   9.524 -14.177   8.347
  407    H    ASN  53           H        ASN  53   5.223 -16.531   4.041
  408    HA   ASN  53           HA       ASN  53   7.473 -17.686   5.434
  409    HB2  ASN  53           HB2      ASN  53   6.179 -19.832   5.173
  410    HB3  ASN  53           HB1      ASN  53   5.364 -18.565   6.072
  411   HD21  ASN  53          HD21      ASN  53   5.644 -18.916   2.534
  412   HD22  ASN  53          HD22      ASN  53   3.946 -19.094   2.269
  413    H    SER  54           H        SER  54   7.305 -16.672   2.442
  414    HA   SER  54           HA       SER  54   8.916 -18.888   1.388
  415    HB2  SER  54           HB2      SER  54   6.847 -17.375  -0.216
  416    HB3  SER  54           HB1      SER  54   7.808 -18.753  -0.755
  417    HG   SER  54           HG       SER  54   6.507 -20.074   0.260
  418    H    VAL  55           H        VAL  55  10.255 -18.203  -0.481
  419    HA   VAL  55           HA       VAL  55  11.317 -15.537  -0.095
  420    HB   VAL  55           HB       VAL  55  12.779 -17.542  -0.307
  421   HG11  VAL  55          HG11      VAL  55  11.808 -17.566  -3.155
  422   HG12  VAL  55          HG12      VAL  55  11.515 -18.799  -1.931
  423   HG13  VAL  55          HG13      VAL  55  13.151 -18.521  -2.528
  424   HG21  VAL  55          HG21      VAL  55  14.410 -16.538  -1.826
  425   HG22  VAL  55          HG22      VAL  55  13.678 -15.341  -0.759
  426   HG23  VAL  55          HG23      VAL  55  13.162 -15.455  -2.440
  427    H    GLY  56           H        GLY  56   8.704 -15.688  -1.093
  428    HA2  GLY  56           HA2      GLY  56   8.565 -15.486  -3.924
  429    HA3  GLY  56           HA1      GLY  56   7.311 -15.019  -2.787
  430    H    ARG  57           H        ARG  57   7.819 -13.586  -5.084
  431    HA   ARG  57           HA       ARG  57   9.402 -11.270  -4.231
  432    HB2  ARG  57           HB2      ARG  57   8.404 -11.994  -6.993
  433    HB3  ARG  57           HB1      ARG  57   9.497 -10.675  -6.594
  434    HG2  ARG  57           HG2      ARG  57  10.058 -13.622  -6.315
  435    HG3  ARG  57           HG1      ARG  57  10.754 -12.517  -7.503
  436    HD2  ARG  57           HD2      ARG  57  11.874 -11.288  -5.764
  437    HD3  ARG  57           HD1      ARG  57  11.081 -12.247  -4.520
  438    HE   ARG  57           HE       ARG  57  12.534 -13.945  -6.233
  439   HH11  ARG  57          HH11      ARG  57  13.051 -11.501  -3.784
  440   HH12  ARG  57          HH12      ARG  57  14.529 -12.201  -3.212
  441   HH21  ARG  57          HH21      ARG  57  14.481 -14.874  -5.486
  442   HH22  ARG  57          HH22      ARG  57  15.348 -14.122  -4.186
  443    H    TRP  58           H        TRP  58   8.579  -9.137  -4.755
  444    HA   TRP  58           HA       TRP  58   5.899  -8.861  -3.801
  445    HB2  TRP  58           HB2      TRP  58   7.823  -6.781  -4.866
  446    HB3  TRP  58           HB1      TRP  58   6.304  -6.432  -4.052
  447    HD1  TRP  58           HD1      TRP  58   9.891  -7.490  -3.378
  448    HE1  TRP  58           HE1      TRP  58  10.344  -7.359  -0.854
  449    HE3  TRP  58           HE3      TRP  58   5.118  -6.660  -1.747
  450    HZ2  TRP  58           HZ2      TRP  58   8.868  -6.962   1.518
  451    HZ3  TRP  58           HZ3      TRP  58   4.726  -6.413   0.667
  452    HH2  TRP  58           HH2      TRP  58   6.564  -6.561   2.266
  453    H    LYS  59           H        LYS  59   4.202  -9.181  -5.072
  454    HA   LYS  59           HA       LYS  59   4.294  -8.594  -7.903
  455    HB2  LYS  59           HB2      LYS  59   2.087  -9.561  -6.083
  456    HB3  LYS  59           HB1      LYS  59   1.847  -9.235  -7.794
  457    HG2  LYS  59           HG2      LYS  59   3.453 -10.942  -8.382
  458    HG3  LYS  59           HG1      LYS  59   3.806 -11.228  -6.677
  459    HD2  LYS  59           HD2      LYS  59   1.548 -11.999  -6.298
  460    HD3  LYS  59           HD1      LYS  59   1.101 -11.602  -7.959
  461    HE2  LYS  59           HE2      LYS  59   1.515 -14.005  -7.656
  462    HE3  LYS  59           HE1      LYS  59   2.633 -13.274  -8.804
  463    HZ1  LYS  59           HZ1      LYS  59   4.328 -13.228  -7.113
  464    HZ2  LYS  59           HZ2      LYS  59   3.729 -14.803  -7.260
  465    HZ3  LYS  59           HZ3      LYS  59   3.255 -13.838  -5.957
  466    H    GLU  60           H        GLU  60   3.226  -6.908  -8.921
  467    HA   GLU  60           HA       GLU  60   2.438  -4.733  -7.103
  468    HB2  GLU  60           HB2      GLU  60   3.717  -4.551  -9.837
  469    HB3  GLU  60           HB1      GLU  60   3.217  -3.178  -8.858
  470    HG2  GLU  60           HG2      GLU  60   4.820  -3.791  -7.145
  471    HG3  GLU  60           HG1      GLU  60   5.299  -5.206  -8.079
  472    H    ALA  61           H        ALA  61   0.412  -4.147  -7.185
  473    HA   ALA  61           HA       ALA  61  -1.081  -4.503  -9.702
  474    HB1  ALA  61           HB1      ALA  61  -3.111  -4.597  -8.343
  475    HB2  ALA  61           HB2      ALA  61  -2.147  -4.398  -6.881
  476    HB3  ALA  61           HB3      ALA  61  -1.970  -5.852  -7.862
  477    H    THR  62           H        THR  62  -1.857  -2.708 -10.655
  478    HA   THR  62           HA       THR  62  -1.309  -0.165  -9.316
  479    HB   THR  62           HB       THR  62  -1.946  -0.659 -12.231
  480    HG1  THR  62           HG1      THR  62   0.029  -1.631 -11.711
  481   HG21  THR  62          HG21      THR  62  -1.001   1.586 -12.554
  482   HG22  THR  62          HG22      THR  62  -0.787   1.745 -10.809
  483   HG23  THR  62          HG23      THR  62  -2.410   1.628 -11.492
  484    H    ILE  63           H        ILE  63  -2.929   0.790  -8.331
  485    HA   ILE  63           HA       ILE  63  -5.674   0.412  -9.338
  486    HB   ILE  63           HB       ILE  63  -4.773   1.340  -6.599
  487   HG12  ILE  63          HG12      ILE  63  -6.027  -0.938  -6.049
  488   HG13  ILE  63          HG11      ILE  63  -5.498  -1.342  -7.676
  489   HG21  ILE  63          HG21      ILE  63  -7.531   0.624  -7.569
  490   HG22  ILE  63          HG22      ILE  63  -6.939   2.262  -7.295
  491   HG23  ILE  63          HG23      ILE  63  -7.095   1.141  -5.941
  492   HD11  ILE  63          HD11      ILE  63  -3.725  -0.520  -5.386
  493   HD12  ILE  63          HD12      ILE  63  -3.183  -0.897  -7.022
  494   HD13  ILE  63          HD13      ILE  63  -3.924  -2.152  -6.029
  495    HA   PRO  64           HA       PRO  64  -5.616   4.602 -10.899
  496    HB2  PRO  64           HB2      PRO  64  -8.472   4.446 -10.049
  497    HB3  PRO  64           HB1      PRO  64  -7.784   4.975 -11.588
  498    HG2  PRO  64           HG2      PRO  64  -8.925   2.578 -11.351
  499    HG3  PRO  64           HG1      PRO  64  -7.483   2.813 -12.352
  500    HD2  PRO  64           HD2      PRO  64  -7.751   1.524  -9.688
  501    HD3  PRO  64           HD1      PRO  64  -6.616   1.174 -11.005
  502    H    GLY  65           H        GLY  65  -5.434   6.611 -10.020
  503    HA2  GLY  65           HA2      GLY  65  -5.265   6.771  -7.162
  504    HA3  GLY  65           HA1      GLY  65  -4.899   8.055  -8.302
  505    H    HIS  66           H        HIS  66  -7.890   6.252  -7.739
  506    HA   HIS  66           HA       HIS  66  -9.092   8.439  -6.321
  507    HB2  HIS  66           HB2      HIS  66 -11.007   8.711  -7.890
  508    HB3  HIS  66           HB1      HIS  66  -9.484   9.281  -8.552
  509    HD1  HIS  66           HD1      HIS  66  -8.763   8.315 -10.761
  510    HD2  HIS  66           HD2      HIS  66 -11.919   6.218  -9.043
  511    HE1  HIS  66           HE1      HIS  66  -9.560   6.715 -12.529
  512    HE2  HIS  66           HE2      HIS  66 -11.546   5.546 -11.510
  513    H    LEU  67           H        LEU  67  -8.423   5.530  -6.183
  514    HA   LEU  67           HA       LEU  67 -11.081   4.605  -5.314
  515    HB2  LEU  67           HB2      LEU  67  -8.795   2.882  -6.283
  516    HB3  LEU  67           HB1      LEU  67 -10.348   2.305  -5.718
  517    HG   LEU  67           HG       LEU  67  -9.814   3.864  -8.244
  518   HD11  LEU  67          HD11      LEU  67 -10.811   1.060  -7.797
  519   HD12  LEU  67          HD12      LEU  67  -9.189   1.505  -8.315
  520   HD13  LEU  67          HD13      LEU  67 -10.568   1.846  -9.356
  521   HD21  LEU  67          HD21      LEU  67 -11.939   4.559  -7.253
  522   HD22  LEU  67          HD22      LEU  67 -12.440   2.872  -7.139
  523   HD23  LEU  67          HD23      LEU  67 -12.192   3.614  -8.719
  524    H    ASN  68           H        ASN  68 -10.999   3.138  -3.430
  525    HA   ASN  68           HA       ASN  68  -8.576   3.505  -1.803
  526    HB2  ASN  68           HB2      ASN  68  -9.848   4.096   0.140
  527    HB3  ASN  68           HB1      ASN  68 -10.355   5.161  -1.164
  528   HD21  ASN  68          HD21      ASN  68 -11.703   4.345   1.296
  529   HD22  ASN  68          HD22      ASN  68 -13.219   3.668   0.814
  530    H    SER  69           H        SER  69  -9.962   1.261  -3.351
  531    HA   SER  69           HA       SER  69  -9.599  -0.753  -1.306
  532    HB2  SER  69           HB2      SER  69 -11.977  -0.145  -1.066
  533    HB3  SER  69           HB1      SER  69 -12.236  -0.488  -2.773
  534    HG   SER  69           HG       SER  69 -11.110  -2.480  -1.154
  535    H    TYR  70           H        TYR  70  -8.786  -2.594  -2.119
  536    HA   TYR  70           HA       TYR  70  -9.136  -3.146  -4.981
  537    HB2  TYR  70           HB2      TYR  70  -6.914  -2.150  -4.723
  538    HB3  TYR  70           HB1      TYR  70  -6.522  -3.307  -3.457
  539    HD1  TYR  70           HD1      TYR  70  -5.296  -5.167  -4.029
  540    HD2  TYR  70           HD2      TYR  70  -7.634  -3.264  -7.030
  541    HE1  TYR  70           HE1      TYR  70  -4.398  -6.723  -5.707
  542    HE2  TYR  70           HE2      TYR  70  -6.742  -4.815  -8.717
  543    HH   TYR  70           HH       TYR  70  -4.994  -7.625  -7.884
  544    H    THR  71           H        THR  71  -9.337  -5.318  -5.487
  545    HA   THR  71           HA       THR  71  -9.486  -7.146  -3.192
  546    HB   THR  71           HB       THR  71 -10.619  -7.547  -5.969
  547    HG1  THR  71           HG1      THR  71 -11.459  -5.856  -4.181
  548   HG21  THR  71          HG21      THR  71 -10.225  -9.624  -4.729
  549   HG22  THR  71          HG22      THR  71 -11.951  -9.304  -4.895
  550   HG23  THR  71          HG23      THR  71 -11.139  -8.986  -3.362
  551    H    ILE  72           H        ILE  72  -7.777  -8.442  -2.923
  552    HA   ILE  72           HA       ILE  72  -5.965  -8.895  -5.168
  553    HB   ILE  72           HB       ILE  72  -5.615  -9.886  -2.337
  554   HG12  ILE  72          HG12      ILE  72  -4.613  -7.300  -3.557
  555   HG13  ILE  72          HG11      ILE  72  -5.849  -7.437  -2.310
  556   HG21  ILE  72          HG21      ILE  72  -3.235  -9.959  -2.971
  557   HG22  ILE  72          HG22      ILE  72  -3.667  -9.443  -4.600
  558   HG23  ILE  72          HG23      ILE  72  -4.229 -10.998  -3.991
  559   HD11  ILE  72          HD11      ILE  72  -2.921  -8.048  -2.086
  560   HD12  ILE  72          HD12      ILE  72  -4.100  -8.553  -0.879
  561   HD13  ILE  72          HD13      ILE  72  -3.857  -6.830  -1.206
  562    H    LYS  73           H        LYS  73  -6.037 -10.677  -6.343
  563    HA   LYS  73           HA       LYS  73  -7.333 -13.067  -5.208
  564    HB2  LYS  73           HB2      LYS  73  -7.397 -12.151  -8.092
  565    HB3  LYS  73           HB1      LYS  73  -8.157 -13.600  -7.454
  566    HG2  LYS  73           HG2      LYS  73  -9.683 -12.282  -6.140
  567    HG3  LYS  73           HG1      LYS  73  -8.864 -10.795  -6.621
  568    HD2  LYS  73           HD2      LYS  73  -9.471 -11.264  -8.969
  569    HD3  LYS  73           HD1      LYS  73 -10.360 -12.690  -8.429
  570    HE2  LYS  73           HE2      LYS  73 -11.833 -11.288  -7.097
  571    HE3  LYS  73           HE1      LYS  73 -10.924  -9.855  -7.568
  572    HZ1  LYS  73           HZ1      LYS  73 -11.585 -10.228  -9.857
  573    HZ2  LYS  73           HZ2      LYS  73 -12.948 -10.105  -8.867
  574    HZ3  LYS  73           HZ3      LYS  73 -12.437 -11.620  -9.415
  575    H    GLY  74           H        GLY  74  -6.360 -15.040  -5.644
  576    HA2  GLY  74           HA2      GLY  74  -4.742 -16.434  -6.693
  577    HA3  GLY  74           HA1      GLY  74  -3.863 -14.992  -7.190
  578    H    LEU  75           H        LEU  75  -5.024 -15.079  -3.971
  579    HA   LEU  75           HA       LEU  75  -2.335 -15.322  -2.915
  580    HB2  LEU  75           HB2      LEU  75  -5.007 -14.948  -1.548
  581    HB3  LEU  75           HB1      LEU  75  -3.463 -14.963  -0.725
  582    HG   LEU  75           HG       LEU  75  -4.274 -12.905  -2.790
  583   HD11  LEU  75          HD11      LEU  75  -4.201 -12.761   0.215
  584   HD12  LEU  75          HD12      LEU  75  -5.634 -12.689  -0.809
  585   HD13  LEU  75          HD13      LEU  75  -4.443 -11.390  -0.868
  586   HD21  LEU  75          HD21      LEU  75  -2.310 -11.696  -1.974
  587   HD22  LEU  75          HD22      LEU  75  -1.869 -13.247  -2.688
  588   HD23  LEU  75          HD23      LEU  75  -1.904 -13.061  -0.933
  589    H    LYS  76           H        LYS  76  -1.979 -16.873  -1.042
  590    HA   LYS  76           HA       LYS  76  -3.324 -19.427  -1.639
  591    HB2  LYS  76           HB2      LYS  76  -0.568 -18.925  -0.501
  592    HB3  LYS  76           HB1      LYS  76  -1.290 -20.512  -0.728
  593    HG2  LYS  76           HG2      LYS  76  -1.397 -20.101  -3.148
  594    HG3  LYS  76           HG1      LYS  76  -0.628 -18.533  -2.900
  595    HD2  LYS  76           HD2      LYS  76   1.028 -20.153  -3.601
  596    HD3  LYS  76           HD1      LYS  76   1.328 -19.677  -1.928
  597    HE2  LYS  76           HE2      LYS  76   0.207 -21.717  -1.159
  598    HE3  LYS  76           HE1      LYS  76  -0.076 -22.190  -2.831
  599    HZ1  LYS  76           HZ1      LYS  76   2.295 -22.329  -3.175
  600    HZ2  LYS  76           HZ2      LYS  76   1.852 -23.302  -1.866
  601    HZ3  LYS  76           HZ3      LYS  76   2.594 -21.811  -1.594
  602    HA   PRO  77           HA       PRO  77  -5.175 -19.005   2.352
  603    HB2  PRO  77           HB2      PRO  77  -6.127 -21.558   2.573
  604    HB3  PRO  77           HB1      PRO  77  -6.902 -20.304   1.598
  605    HG2  PRO  77           HG2      PRO  77  -5.081 -22.514   0.745
  606    HG3  PRO  77           HG1      PRO  77  -6.547 -21.901  -0.043
  607    HD2  PRO  77           HD2      PRO  77  -4.067 -21.241  -0.884
  608    HD3  PRO  77           HD1      PRO  77  -5.438 -20.122  -0.999
  609    H    GLY  78           H        GLY  78  -4.147 -18.975   4.208
  610    HA2  GLY  78           HA2      GLY  78  -3.317 -20.145   6.135
  611    HA3  GLY  78           HA1      GLY  78  -2.654 -21.369   5.059
  612    H    VAL  79           H        VAL  79  -1.842 -18.967   3.316
  613    HA   VAL  79           HA       VAL  79   0.785 -18.678   4.527
  614    HB   VAL  79           HB       VAL  79  -0.265 -17.795   1.829
  615   HG11  VAL  79          HG11      VAL  79   2.537 -17.732   2.934
  616   HG12  VAL  79          HG12      VAL  79   1.541 -16.338   2.508
  617   HG13  VAL  79          HG13      VAL  79   2.101 -17.443   1.250
  618   HG21  VAL  79          HG21      VAL  79  -0.131 -20.203   2.018
  619   HG22  VAL  79          HG22      VAL  79   1.522 -20.085   2.625
  620   HG23  VAL  79          HG23      VAL  79   1.155 -19.607   0.968
  621    H    VAL  80           H        VAL  80   1.344 -16.943   5.680
  622    HA   VAL  80           HA       VAL  80  -0.357 -14.606   5.709
  623    HB   VAL  80           HB       VAL  80   1.088 -13.727   7.444
  624   HG11  VAL  80          HG11      VAL  80  -0.577 -15.338   8.141
  625   HG12  VAL  80          HG12      VAL  80   0.873 -15.495   9.132
  626   HG13  VAL  80          HG13      VAL  80   0.551 -16.663   7.851
  627   HG21  VAL  80          HG21      VAL  80   3.016 -15.150   8.266
  628   HG22  VAL  80          HG22      VAL  80   3.272 -14.271   6.762
  629   HG23  VAL  80          HG23      VAL  80   2.918 -16.000   6.722
  630    H    TYR  81           H        TYR  81   0.151 -12.613   4.847
  631    HA   TYR  81           HA       TYR  81   2.423 -12.650   2.975
  632    HB2  TYR  81           HB2      TYR  81  -0.360 -11.556   2.662
  633    HB3  TYR  81           HB1      TYR  81   0.967 -11.002   1.649
  634    HD1  TYR  81           HD1      TYR  81   1.851 -12.372  -0.091
  635    HD2  TYR  81           HD2      TYR  81  -1.169 -13.885   2.493
  636    HE1  TYR  81           HE1      TYR  81   1.489 -14.252  -1.628
  637    HE2  TYR  81           HE2      TYR  81  -1.539 -15.773   0.960
  638    HH   TYR  81           HH       TYR  81   0.601 -16.476  -1.631
  639    H    GLU  82           H        GLU  82   3.577 -10.809   2.642
  640    HA   GLU  82           HA       GLU  82   3.202  -8.626   4.575
  641    HB2  GLU  82           HB2      GLU  82   5.557  -9.263   2.775
  642    HB3  GLU  82           HB1      GLU  82   5.497  -7.974   3.968
  643    HG2  GLU  82           HG2      GLU  82   5.466  -9.521   5.762
  644    HG3  GLU  82           HG1      GLU  82   5.213 -10.880   4.666
  645    H    GLY  83           H        GLY  83   2.418  -6.713   3.830
  646    HA2  GLY  83           HA2      GLY  83   2.450  -6.326   0.906
  647    HA3  GLY  83           HA1      GLY  83   0.973  -6.101   1.831
  648    H    GLN  84           H        GLN  84   2.231  -4.190   0.164
  649    HA   GLN  84           HA       GLN  84   2.571  -2.062   2.141
  650    HB2  GLN  84           HB2      GLN  84   4.392  -2.406  -0.251
  651    HB3  GLN  84           HB1      GLN  84   4.439  -1.082   0.906
  652    HG2  GLN  84           HG2      GLN  84   4.989  -2.713   2.681
  653    HG3  GLN  84           HG1      GLN  84   5.056  -3.975   1.454
  654   HE21  GLN  84          HE21      GLN  84   7.187  -4.426   1.810
  655   HE22  GLN  84          HE22      GLN  84   8.468  -3.354   1.357
  656    H    LEU  85           H        LEU  85   1.340  -0.370   1.675
  657    HA   LEU  85           HA       LEU  85   0.102  -0.212  -0.974
  658    HB2  LEU  85           HB2      LEU  85  -1.252  -0.141   1.177
  659    HB3  LEU  85           HB1      LEU  85  -0.534   1.424   1.486
  660    HG   LEU  85           HG       LEU  85  -2.870   1.448   0.528
  661   HD11  LEU  85          HD11      LEU  85  -0.785   2.859  -1.127
  662   HD12  LEU  85          HD12      LEU  85  -1.381   3.406   0.439
  663   HD13  LEU  85          HD13      LEU  85  -2.477   3.321  -0.939
  664   HD21  LEU  85          HD21      LEU  85  -1.451   0.618  -1.998
  665   HD22  LEU  85          HD22      LEU  85  -3.143   1.090  -1.854
  666   HD23  LEU  85          HD23      LEU  85  -2.569  -0.383  -1.074
  667    H    ILE  86           H        ILE  86   1.231   0.915  -2.398
  668    HA   ILE  86           HA       ILE  86   2.869   3.178  -1.470
  669    HB   ILE  86           HB       ILE  86   3.032   1.709  -4.103
  670   HG12  ILE  86          HG12      ILE  86   4.937   1.388  -1.793
  671   HG13  ILE  86          HG11      ILE  86   3.514   0.362  -1.959
  672   HG21  ILE  86          HG21      ILE  86   4.943   3.607  -2.742
  673   HG22  ILE  86          HG22      ILE  86   3.942   3.969  -4.150
  674   HG23  ILE  86          HG23      ILE  86   5.233   2.773  -4.269
  675   HD11  ILE  86          HD11      ILE  86   5.668   0.652  -4.032
  676   HD12  ILE  86          HD12      ILE  86   4.297  -0.462  -4.069
  677   HD13  ILE  86          HD13      ILE  86   5.560  -0.653  -2.852
  678    H    SER  87           H        SER  87   1.965   5.107  -1.772
  679    HA   SER  87           HA       SER  87   0.061   5.452  -3.980
  680    HB2  SER  87           HB2      SER  87   0.576   7.394  -1.739
  681    HB3  SER  87           HB1      SER  87  -0.848   7.266  -2.765
  682    HG   SER  87           HG       SER  87  -0.109   5.069  -1.198
  683    H    ILE  88           H        ILE  88   0.707   6.467  -5.760
  684    HA   ILE  88           HA       ILE  88   3.202   8.000  -5.710
  685    HB   ILE  88           HB       ILE  88   1.532   7.143  -8.080
  686   HG12  ILE  88          HG12      ILE  88   2.451   5.205  -6.900
  687   HG13  ILE  88          HG11      ILE  88   3.254   5.430  -8.450
  688   HG21  ILE  88          HG21      ILE  88   3.525   7.689  -9.401
  689   HG22  ILE  88          HG22      ILE  88   4.317   8.286  -7.943
  690   HG23  ILE  88          HG23      ILE  88   2.879   9.100  -8.561
  691   HD11  ILE  88          HD11      ILE  88   4.852   4.827  -6.749
  692   HD12  ILE  88          HD12      ILE  88   4.340   6.187  -5.750
  693   HD13  ILE  88          HD13      ILE  88   5.144   6.480  -7.292
  694    H    GLN  89           H        GLN  89   3.032  10.125  -5.365
  695    HA   GLN  89           HA       GLN  89   0.536  11.506  -5.860
  696    HB2  GLN  89           HB2      GLN  89   3.170  12.687  -4.988
  697    HB3  GLN  89           HB1      GLN  89   1.584  13.432  -4.863
  698    HG2  GLN  89           HG2      GLN  89   0.922  11.690  -3.261
  699    HG3  GLN  89           HG1      GLN  89   2.551  11.017  -3.355
  700   HE21  GLN  89          HE21      GLN  89   1.191  12.086  -1.049
  701   HE22  GLN  89          HE22      GLN  89   2.154  13.400  -0.478
  702    H    GLN  90           H        GLN  90   0.697  13.745  -6.912
  703    HA   GLN  90           HA       GLN  90   1.417  13.562  -9.597
  704    HB2  GLN  90           HB2      GLN  90   1.120  16.049  -7.900
  705    HB3  GLN  90           HB1      GLN  90   1.131  16.017  -9.657
  706    HG2  GLN  90           HG2      GLN  90  -0.895  14.638  -9.634
  707    HG3  GLN  90           HG1      GLN  90  -0.912  14.715  -7.873
  708   HE21  GLN  90          HE21      GLN  90  -1.485  16.649  -6.858
  709   HE22  GLN  90          HE22      GLN  90  -2.278  17.926  -7.709
  710    H    TYR  91           H        TYR  91   3.179  14.835  -6.832
  711    HA   TYR  91           HA       TYR  91   5.355  15.858  -8.398
  712    HB2  TYR  91           HB2      TYR  91   5.036  15.469  -5.418
  713    HB3  TYR  91           HB1      TYR  91   6.408  16.271  -6.175
  714    HD1  TYR  91           HD1      TYR  91   2.786  16.510  -5.507
  715    HD2  TYR  91           HD2      TYR  91   6.243  18.514  -6.970
  716    HE1  TYR  91           HE1      TYR  91   1.561  18.640  -5.466
  717    HE2  TYR  91           HE2      TYR  91   5.027  20.650  -6.931
  718    HH   TYR  91           HH       TYR  91   1.877  20.947  -5.464
  719    H    GLY  92           H        GLY  92   4.547  12.788  -7.947
  720    HA2  GLY  92           HA2      GLY  92   5.780  10.884  -8.388
  721    HA3  GLY  92           HA1      GLY  92   7.232  11.873  -8.412
  722    H    HIS  93           H        HIS  93   5.575  12.517  -5.609
  723    HA   HIS  93           HA       HIS  93   7.484  11.194  -3.968
  724    HB2  HIS  93           HB2      HIS  93   4.866  12.545  -3.258
  725    HB3  HIS  93           HB1      HIS  93   5.997  11.907  -2.075
  726    HD1  HIS  93           HD1      HIS  93   5.173  14.911  -2.253
  727    HD2  HIS  93           HD2      HIS  93   8.636  13.261  -3.856
  728    HE1  HIS  93           HE1      HIS  93   6.812  16.809  -2.424
  729    HE2  HIS  93           HE2      HIS  93   8.963  15.729  -3.161
  730    H    GLN  94           H        GLN  94   7.354   9.292  -2.888
  731    HA   GLN  94           HA       GLN  94   4.986   7.650  -3.470
  732    HB2  GLN  94           HB2      GLN  94   7.768   6.794  -2.654
  733    HB3  GLN  94           HB1      GLN  94   6.428   5.710  -2.994
  734    HG2  GLN  94           HG2      GLN  94   6.373   6.568  -5.309
  735    HG3  GLN  94           HG1      GLN  94   7.789   7.554  -4.943
  736   HE21  GLN  94          HE21      GLN  94   7.443   5.391  -6.886
  737   HE22  GLN  94          HE22      GLN  94   8.654   4.218  -6.505
  738    H    GLU  95           H        GLU  95   3.610   7.436  -1.877
  739    HA   GLU  95           HA       GLU  95   4.570   7.596   0.895
  740    HB2  GLU  95           HB2      GLU  95   1.741   7.671  -0.177
  741    HB3  GLU  95           HB1      GLU  95   2.218   7.930   1.489
  742    HG2  GLU  95           HG2      GLU  95   2.965   9.689  -0.836
  743    HG3  GLU  95           HG1      GLU  95   1.695  10.022   0.338
  744    H    VAL  96           H        VAL  96   4.977   5.680   1.835
  745    HA   VAL  96           HA       VAL  96   3.564   3.326   0.765
  746    HB   VAL  96           HB       VAL  96   6.375   3.381   1.864
  747   HG11  VAL  96          HG11      VAL  96   6.517   1.113   0.933
  748   HG12  VAL  96          HG12      VAL  96   4.817   1.207   0.471
  749   HG13  VAL  96          HG13      VAL  96   5.272   1.242   2.176
  750   HG21  VAL  96          HG21      VAL  96   5.428   3.263  -0.998
  751   HG22  VAL  96          HG22      VAL  96   7.094   3.031  -0.468
  752   HG23  VAL  96          HG23      VAL  96   6.303   4.590  -0.234
  753    H    THR  97           H        THR  97   2.144   2.641   2.200
  754    HA   THR  97           HA       THR  97   2.913   2.542   5.037
  755    HB   THR  97           HB       THR  97   0.167   2.161   3.817
  756    HG1  THR  97           HG1      THR  97  -0.162   4.284   4.845
  757   HG21  THR  97          HG21      THR  97   1.054   2.497   6.685
  758   HG22  THR  97          HG22      THR  97   0.434   1.015   5.955
  759   HG23  THR  97          HG23      THR  97  -0.619   2.419   6.134
  760    H    ARG  98           H        ARG  98   3.714   0.651   5.688
  761    HA   ARG  98           HA       ARG  98   3.265  -1.742   4.106
  762    HB2  ARG  98           HB2      ARG  98   4.910  -1.411   6.620
  763    HB3  ARG  98           HB1      ARG  98   4.955  -2.772   5.511
  764    HG2  ARG  98           HG2      ARG  98   5.830  -1.292   3.754
  765    HG3  ARG  98           HG1      ARG  98   5.826   0.046   4.904
  766    HD2  ARG  98           HD2      ARG  98   7.425  -2.502   5.082
  767    HD3  ARG  98           HD1      ARG  98   8.045  -0.880   4.776
  768    HE   ARG  98           HE       ARG  98   7.090  -0.389   7.099
  769   HH11  ARG  98          HH11      ARG  98   8.472  -3.451   6.119
  770   HH12  ARG  98          HH12      ARG  98   8.913  -3.917   7.727
  771   HH21  ARG  98          HH21      ARG  98   7.671  -0.991   9.224
  772   HH22  ARG  98          HH22      ARG  98   8.458  -2.513   9.498
  773    H    PHE  99           H        PHE  99   2.412  -3.682   4.931
  774    HA   PHE  99           HA       PHE  99   1.285  -3.799   7.572
  775    HB2  PHE  99           HB2      PHE  99  -1.044  -4.031   6.912
  776    HB3  PHE  99           HB1      PHE  99  -0.436  -2.472   6.377
  777    HD1  PHE  99           HD1      PHE  99  -2.160  -5.406   5.435
  778    HD2  PHE  99           HD2      PHE  99   0.367  -2.341   3.907
  779    HE1  PHE  99           HE1      PHE  99  -2.950  -5.893   3.159
  780    HE2  PHE  99           HE2      PHE  99  -0.420  -2.825   1.628
  781    HZ   PHE  99           HZ       PHE  99  -2.080  -4.603   1.252
  782    H    ASP 100           H        ASP 100  -0.180  -5.894   7.643
  783    HA   ASP 100           HA       ASP 100   0.882  -7.936   5.830
  784    HB2  ASP 100           HB2      ASP 100   1.355  -9.477   7.623
  785    HB3  ASP 100           HB1      ASP 100   2.217  -7.981   7.953
  786    H    PHE 101           H        PHE 101  -0.438  -9.882   5.788
  787    HA   PHE 101           HA       PHE 101  -3.002  -9.826   7.079
  788    HB2  PHE 101           HB2      PHE 101  -4.320  -9.845   4.970
  789    HB3  PHE 101           HB1      PHE 101  -3.522  -8.309   5.273
  790    HD1  PHE 101           HD1      PHE 101  -3.819 -11.147   3.047
  791    HD2  PHE 101           HD2      PHE 101  -1.541  -7.665   3.942
  792    HE1  PHE 101           HE1      PHE 101  -2.827 -11.216   0.796
  793    HE2  PHE 101           HE2      PHE 101  -0.546  -7.732   1.694
  794    HZ   PHE 101           HZ       PHE 101  -1.191  -9.507   0.116
  795    H    THR 102           H        THR 102  -4.187 -11.772   6.801
  796    HA   THR 102           HA       THR 102  -2.662 -13.951   5.541
  797    HB   THR 102           HB       THR 102  -4.223 -14.195   8.119
  798    HG1  THR 102           HG1      THR 102  -2.123 -12.919   8.069
  799   HG21  THR 102          HG21      THR 102  -2.303 -16.084   6.746
  800   HG22  THR 102          HG22      THR 102  -4.055 -16.269   6.823
  801   HG23  THR 102          HG23      THR 102  -3.094 -16.364   8.298
  802    H    THR 103           H        THR 103  -3.827 -14.804   3.942
  803    HA   THR 103           HA       THR 103  -6.735 -14.651   4.051
  804    HB   THR 103           HB       THR 103  -5.661 -14.004   1.942
  805    HG1  THR 103           HG1      THR 103  -6.921 -16.460   1.354
  806   HG21  THR 103          HG21      THR 103  -4.617 -16.830   1.942
  807   HG22  THR 103          HG22      THR 103  -3.680 -15.335   1.926
  808   HG23  THR 103          HG23      THR 103  -4.640 -15.792   0.520
  809    H    THR 104           H        THR 104  -7.928 -16.315   4.735
  810    HA   THR 104           HA       THR 104  -7.383 -19.024   4.301
  811    HB   THR 104           HB       THR 104  -5.495 -18.683   5.837
  812    HG1  THR 104           HG1      THR 104  -5.910 -20.482   7.009
  813   HG21  THR 104          HG21      THR 104  -5.867 -18.138   8.195
  814   HG22  THR 104          HG22      THR 104  -7.584 -17.900   7.876
  815   HG23  THR 104          HG23      THR 104  -6.395 -16.819   7.151
  816    H    SER 105           H        SER 105  -9.056 -20.312   4.968
  817    HA   SER 105           HA       SER 105 -11.133 -19.057   6.634
  818    HB2  SER 105           HB2      SER 105 -11.806 -19.311   4.233
  819    HB3  SER 105           HB1      SER 105 -11.583 -21.053   4.396
  820    HG   SER 105           HG       SER 105 -13.416 -21.195   5.431
  821    H    THR 106           H        THR 106  -8.962 -21.611   6.160
  822    HA   THR 106           HA       THR 106 -10.348 -23.586   7.710
  823    HB   THR 106           HB       THR 106  -8.676 -24.169   5.941
  824    HG1  THR 106           HG1      THR 106  -9.225 -25.618   7.708
  825   HG21  THR 106          HG21      THR 106  -6.664 -23.201   7.974
  826   HG22  THR 106          HG22      THR 106  -7.010 -22.442   6.420
  827   HG23  THR 106          HG23      THR 106  -6.291 -24.051   6.474
  828    H    SER 107           H        SER 107  -8.530 -20.816   8.407
  829    HA   SER 107           HA       SER 107  -8.171 -21.694  11.191
  830    HB2  SER 107           HB2      SER 107  -6.094 -20.925  10.062
  831    HB3  SER 107           HB1      SER 107  -6.854 -19.363   9.765
  832    HG   SER 107           HG       SER 107  -6.326 -20.525  12.307
  833    H    THR 108           H        THR 108  -9.532 -20.886  12.636
  834    HA   THR 108           HA       THR 108 -10.912 -18.357  12.041
  835    HB   THR 108           HB       THR 108 -12.173 -20.793  13.324
  836    HG1  THR 108           HG1      THR 108 -12.416 -19.670  10.712
  837   HG21  THR 108          HG21      THR 108 -13.379 -18.155  12.478
  838   HG22  THR 108          HG22      THR 108 -13.097 -18.672  14.141
  839   HG23  THR 108          HG23      THR 108 -14.265 -19.531  13.135
  840    HA   PRO 109           HA       PRO 109  -9.141 -17.643  16.098
  841    HB2  PRO 109           HB2      PRO 109  -9.314 -14.974  16.083
  842    HB3  PRO 109           HB1      PRO 109  -8.151 -15.827  15.061
  843    HG2  PRO 109           HG2      PRO 109 -10.784 -14.618  14.333
  844    HG3  PRO 109           HG1      PRO 109  -9.260 -14.615  13.429
  845    HD2  PRO 109           HD2      PRO 109 -11.379 -16.337  12.959
  846    HD3  PRO 109           HD1      PRO 109  -9.700 -16.635  12.471
  847    H    GLY 110           H        GLY 110 -11.666 -18.656  16.274
  848    HA2  GLY 110           HA2      GLY 110 -13.363 -16.701  17.615
  849    HA3  GLY 110           HA1      GLY 110 -13.774 -18.375  17.267
  850    H    SER 111           H        SER 111 -12.246 -16.197  19.500
  851    HA   SER 111           HA       SER 111 -11.249 -18.248  21.238
  852    HB2  SER 111           HB2      SER 111 -10.226 -15.979  21.097
  853    HB3  SER 111           HB1      SER 111 -11.685 -15.306  21.818
  854    HG   SER 111           HG       SER 111 -10.363 -17.398  23.141
  855    H    ARG 112           H        ARG 112 -12.734 -19.560  22.098
  856    HA   ARG 112           HA       ARG 112 -14.711 -18.392  23.881
  857    HB2  ARG 112           HB2      ARG 112 -16.530 -19.808  22.982
  858    HB3  ARG 112           HB1      ARG 112 -15.977 -18.606  21.826
  859    HG2  ARG 112           HG2      ARG 112 -14.714 -20.293  20.630
  860    HG3  ARG 112           HG1      ARG 112 -15.173 -21.508  21.825
  861    HD2  ARG 112           HD2      ARG 112 -17.538 -21.152  21.234
  862    HD3  ARG 112           HD1      ARG 112 -17.036 -20.004  19.996
  863    HE   ARG 112           HE       ARG 112 -15.702 -22.423  19.548
  864   HH11  ARG 112          HH11      ARG 112 -18.948 -21.130  19.470
  865   HH12  ARG 112          HH12      ARG 112 -19.488 -22.204  18.223
  866   HH21  ARG 112          HH21      ARG 112 -16.408 -23.859  17.924
  867   HH22  ARG 112          HH22      ARG 112 -18.043 -23.769  17.349
  868    H    SER 113           H        SER 113 -12.390 -19.641  24.583
  869    HA   SER 113           HA       SER 113 -12.519 -22.412  24.925
  870    HB2  SER 113           HB2      SER 113 -10.881 -21.937  26.843
  871    HB3  SER 113           HB1      SER 113 -10.410 -21.402  25.231
  872    HG   SER 113           HG       SER 113 -10.092 -19.605  26.331
  873    H    HIS 114           H        HIS 114 -13.814 -19.784  26.878
  874    HA   HIS 114           HA       HIS 114 -15.291 -21.810  28.417
  875    HB2  HIS 114           HB2      HIS 114 -13.995 -19.301  29.487
  876    HB3  HIS 114           HB1      HIS 114 -15.214 -20.210  30.373
  877    HD1  HIS 114           HD1      HIS 114 -14.476 -22.340  31.540
  878    HD2  HIS 114           HD2      HIS 114 -11.502 -20.634  29.195
  879    HE1  HIS 114           HE1      HIS 114 -12.365 -23.576  32.124
  880    HE2  HIS 114           HE2      HIS 114 -10.631 -22.659  30.540
  881    H    HIS 115           H        HIS 115 -15.202 -18.334  27.619
  882    HA   HIS 115           HA       HIS 115 -18.086 -18.439  27.110
  883    HB2  HIS 115           HB2      HIS 115 -16.712 -16.514  28.991
  884    HB3  HIS 115           HB1      HIS 115 -18.301 -16.202  28.305
  885    HD1  HIS 115           HD1      HIS 115 -20.275 -17.295  29.419
  886    HD2  HIS 115           HD2      HIS 115 -16.637 -18.725  30.830
  887    HE1  HIS 115           HE1      HIS 115 -20.833 -18.717  31.414
  888    HE2  HIS 115           HE2      HIS 115 -18.612 -19.492  32.309
  889    H    HIS 116           H        HIS 116 -18.812 -16.942  25.592
  890    HA   HIS 116           HA       HIS 116 -17.104 -14.825  24.659
  891    HB2  HIS 116           HB2      HIS 116 -16.187 -16.770  23.424
  892    HB3  HIS 116           HB1      HIS 116 -17.785 -17.077  22.752
  893    HD1  HIS 116           HD1      HIS 116 -18.328 -15.917  20.609
  894    HD2  HIS 116           HD2      HIS 116 -15.090 -14.189  22.565
  895    HE1  HIS 116           HE1      HIS 116 -17.440 -14.170  19.036
  896    HE2  HIS 116           HE2      HIS 116 -15.537 -13.080  20.273
  897    H    HIS 117           H        HIS 117 -18.470 -13.196  24.449
  898    HA   HIS 117           HA       HIS 117 -20.799 -13.461  22.773
  899    HB2  HIS 117           HB2      HIS 117 -22.339 -12.479  24.515
  900    HB3  HIS 117           HB1      HIS 117 -21.866 -14.149  24.787
  901    HD1  HIS 117           HD1      HIS 117 -21.443 -14.581  27.170
  902    HD2  HIS 117           HD2      HIS 117 -20.393 -10.697  26.116
  903    HE1  HIS 117           HE1      HIS 117 -20.603 -13.506  29.284
  904    HE2  HIS 117           HE2      HIS 117 -19.803 -11.226  28.578
  905    H    HIS 118           H        HIS 118 -22.052 -11.224  22.906
  906    HA   HIS 118           HA       HIS 118 -22.055  -9.002  22.478
  907    HB2  HIS 118           HB2      HIS 118 -21.069  -8.858  24.783
  908    HB3  HIS 118           HB1      HIS 118 -19.472  -8.866  24.049
  909    HD1  HIS 118           HD1      HIS 118 -18.566  -6.569  24.172
  910    HD2  HIS 118           HD2      HIS 118 -22.621  -6.582  23.253
  911    HE1  HIS 118           HE1      HIS 118 -19.191  -4.157  23.833
  912    HE2  HIS 118           HE2      HIS 118 -21.665  -4.182  23.366
  913    H    HIS 119           H        HIS 119 -21.023 -10.752  20.599
  914    HA   HIS 119           HA       HIS 119 -18.669  -9.570  19.413
  915    HB2  HIS 119           HB2      HIS 119 -19.044 -11.974  19.194
  916    HB3  HIS 119           HB1      HIS 119 -20.585 -11.684  18.400
  917    HD1  HIS 119           HD1      HIS 119 -20.540 -11.591  15.925
  918    HD2  HIS 119           HD2      HIS 119 -16.770 -11.019  17.575
  919    HE1  HIS 119           HE1      HIS 119 -18.949 -11.549  13.981
  920    HE2  HIS 119           HE2      HIS 119 -16.703 -11.022  14.987
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  12.806   9.312   9.438
    2    H2   GLY   1           HT2      GLY   1  14.054   8.573  10.307
    3    H3   GLY   1           HT3      GLY   1  13.930  10.257  10.272
    4    HA2  GLY   1           HA1      GLY   1  13.152   9.355  12.380
    5    HA3  GLY   1           HA2      GLY   1  11.888  10.203  11.502
    6    H    SER   2           H        SER   2  11.492   8.237  13.526
    7    HA   SER   2           HA       SER   2  10.534   5.887  12.092
    8    HB2  SER   2           HB2      SER   2  11.676   5.622  14.277
    9    HB3  SER   2           HB1      SER   2  10.408   6.574  15.042
   10    HG   SER   2           HG       SER   2  10.016   4.121  13.660
   11    H    GLN   3           H        GLN   3   9.312   8.622  13.954
   12    HA   GLN   3           HA       GLN   3   6.579   7.913  13.144
   13    HB2  GLN   3           HB2      GLN   3   7.007   8.125  15.583
   14    HB3  GLN   3           HB1      GLN   3   7.473   9.800  15.332
   15    HG2  GLN   3           HG2      GLN   3   5.209   9.649  16.166
   16    HG3  GLN   3           HG1      GLN   3   5.229  10.312  14.533
   17   HE21  GLN   3          HE21      GLN   3   5.671   6.909  15.202
   18   HE22  GLN   3          HE22      GLN   3   4.158   6.394  14.546
   19    H    THR   4           H        THR   4   5.814   8.985  11.485
   20    HA   THR   4           HA       THR   4   6.995  11.505  10.653
   21    HB   THR   4           HB       THR   4   4.709  10.018   9.349
   22    HG1  THR   4           HG1      THR   4   7.468   9.484   9.409
   23   HG21  THR   4          HG21      THR   4   5.101  12.301   8.548
   24   HG22  THR   4          HG22      THR   4   5.523  11.116   7.313
   25   HG23  THR   4          HG23      THR   4   6.793  11.908   8.245
   26    H    THR   5           H        THR   5   6.143  13.437  11.146
   27    HA   THR   5           HA       THR   5   3.857  13.606  12.851
   28    HB   THR   5           HB       THR   5   5.234  15.921  11.485
   29    HG1  THR   5           HG1      THR   5   5.981  14.860  14.014
   30   HG21  THR   5          HG21      THR   5   3.813  15.671  14.140
   31   HG22  THR   5          HG22      THR   5   3.179  16.458  12.696
   32   HG23  THR   5          HG23      THR   5   4.586  17.130  13.519
   33    H    ALA   6           H        ALA   6   4.488  14.210   9.458
   34    HA   ALA   6           HA       ALA   6   1.918  15.447   9.002
   35    HB1  ALA   6           HB1      ALA   6   4.022  14.548   7.034
   36    HB2  ALA   6           HB2      ALA   6   3.883  16.162   7.728
   37    HB3  ALA   6           HB3      ALA   6   2.618  15.549   6.667
   38    HA   PRO   7           HA       PRO   7  -0.001  11.463   8.146
   39    HB2  PRO   7           HB2      PRO   7  -2.510  12.382   7.826
   40    HB3  PRO   7           HB1      PRO   7  -1.764  12.251   9.423
   41    HG2  PRO   7           HG2      PRO   7  -2.130  14.660   7.694
   42    HG3  PRO   7           HG1      PRO   7  -2.325  14.501   9.447
   43    HD2  PRO   7           HD2      PRO   7  -0.095  15.549   8.228
   44    HD3  PRO   7           HD1      PRO   7  -0.093  14.809   9.839
   45    H    ASP   8           H        ASP   8   1.497  12.540   6.109
   46    HA   ASP   8           HA       ASP   8  -0.099  13.265   3.839
   47    HB2  ASP   8           HB2      ASP   8   2.281  14.027   4.324
   48    HB3  ASP   8           HB1      ASP   8   2.800  12.419   3.836
   49    H    ALA   9           H        ALA   9   1.321  10.376   5.126
   50    HA   ALA   9           HA       ALA   9   0.649   8.775   2.797
   51    HB1  ALA   9           HB1      ALA   9   2.715   8.329   4.045
   52    HB2  ALA   9           HB2      ALA   9   1.639   6.933   4.033
   53    HB3  ALA   9           HB3      ALA   9   1.758   7.942   5.475
   54    HA   PRO  10           HA       PRO  10  -3.416   7.531   4.201
   55    HB2  PRO  10           HB2      PRO  10  -2.686   4.893   3.049
   56    HB3  PRO  10           HB1      PRO  10  -4.071   5.928   2.688
   57    HG2  PRO  10           HG2      PRO  10  -2.043   5.697   0.970
   58    HG3  PRO  10           HG1      PRO  10  -2.864   7.250   1.214
   59    HD2  PRO  10           HD2      PRO  10  -0.223   6.326   2.248
   60    HD3  PRO  10           HD1      PRO  10  -0.696   7.911   1.666
   61    HA   PRO  11           HA       PRO  11  -2.607   5.854   8.171
   62    HB2  PRO  11           HB2      PRO  11  -4.978   4.378   8.469
   63    HB3  PRO  11           HB1      PRO  11  -4.729   6.063   8.931
   64    HG2  PRO  11           HG2      PRO  11  -5.973   4.936   6.468
   65    HG3  PRO  11           HG1      PRO  11  -6.397   6.399   7.374
   66    HD2  PRO  11           HD2      PRO  11  -5.078   6.547   5.056
   67    HD3  PRO  11           HD1      PRO  11  -4.689   7.644   6.399
   68    H    ASP  12           H        ASP  12  -4.563   3.317   6.655
   69    HA   ASP  12           HA       ASP  12  -2.387   1.615   6.050
   70    HB2  ASP  12           HB2      ASP  12  -2.705  -0.137   7.678
   71    HB3  ASP  12           HB1      ASP  12  -2.405   1.365   8.542
   72    HA   PRO  13           HA       PRO  13  -5.831  -0.124   3.751
   73    HB2  PRO  13           HB2      PRO  13  -3.970  -2.246   2.985
   74    HB3  PRO  13           HB1      PRO  13  -4.759  -1.038   1.968
   75    HG2  PRO  13           HG2      PRO  13  -2.107  -0.991   2.470
   76    HG3  PRO  13           HG1      PRO  13  -3.056   0.489   2.232
   77    HD2  PRO  13           HD2      PRO  13  -2.121  -0.776   4.787
   78    HD3  PRO  13           HD1      PRO  13  -2.125   0.938   4.311
   79    H    THR  14           H        THR  14  -7.288  -1.145   4.952
   80    HA   THR  14           HA       THR  14  -6.474  -3.416   6.626
   81    HB   THR  14           HB       THR  14  -9.213  -2.180   6.607
   82    HG1  THR  14           HG1      THR  14  -6.823  -1.144   7.746
   83   HG21  THR  14          HG21      THR  14  -8.889  -4.249   7.872
   84   HG22  THR  14          HG22      THR  14  -9.207  -2.895   8.956
   85   HG23  THR  14          HG23      THR  14  -7.564  -3.506   8.764
   86    H    VAL  15           H        VAL  15  -6.758  -5.387   5.753
   87    HA   VAL  15           HA       VAL  15  -8.567  -5.619   3.498
   88    HB   VAL  15           HB       VAL  15  -7.305  -7.284   2.668
   89   HG11  VAL  15          HG11      VAL  15  -5.284  -6.060   4.525
   90   HG12  VAL  15          HG12      VAL  15  -5.804  -5.386   2.982
   91   HG13  VAL  15          HG13      VAL  15  -4.943  -6.924   3.025
   92   HG21  VAL  15          HG21      VAL  15  -6.394  -8.114   5.404
   93   HG22  VAL  15          HG22      VAL  15  -6.140  -8.982   3.886
   94   HG23  VAL  15          HG23      VAL  15  -7.767  -8.802   4.542
   95    H    ASP  16           H        ASP  16 -10.253  -6.974   3.392
   96    HA   ASP  16           HA       ASP  16 -11.076  -8.239   5.908
   97    HB2  ASP  16           HB2      ASP  16 -12.661  -7.551   3.423
   98    HB3  ASP  16           HB1      ASP  16 -13.316  -8.392   4.821
   99    H    GLN  17           H        GLN  17 -11.364 -10.391   6.067
  100    HA   GLN  17           HA       GLN  17 -10.326 -12.054   3.933
  101    HB2  GLN  17           HB2      GLN  17 -11.441 -12.879   6.618
  102    HB3  GLN  17           HB1      GLN  17 -10.476 -13.861   5.551
  103    HG2  GLN  17           HG2      GLN  17  -9.518 -11.344   6.881
  104    HG3  GLN  17           HG1      GLN  17  -9.222 -12.975   7.479
  105   HE21  GLN  17          HE21      GLN  17  -8.517 -10.671   4.968
  106   HE22  GLN  17          HE22      GLN  17  -7.108 -11.475   4.359
  107    H    VAL  18           H        VAL  18 -12.099 -11.451   2.473
  108    HA   VAL  18           HA       VAL  18 -14.791 -12.120   3.106
  109    HB   VAL  18           HB       VAL  18 -13.532 -11.542   0.421
  110   HG11  VAL  18          HG11      VAL  18 -16.436 -11.585   1.236
  111   HG12  VAL  18          HG12      VAL  18 -15.638 -12.746   0.175
  112   HG13  VAL  18          HG13      VAL  18 -15.813 -11.066  -0.330
  113   HG21  VAL  18          HG21      VAL  18 -15.028  -9.763   2.340
  114   HG22  VAL  18          HG22      VAL  18 -14.478  -9.300   0.731
  115   HG23  VAL  18          HG23      VAL  18 -13.302  -9.694   1.985
  116    H    ASP  19           H        ASP  19 -12.490 -13.577   0.781
  117    HA   ASP  19           HA       ASP  19 -13.989 -16.089   1.119
  118    HB2  ASP  19           HB2      ASP  19 -12.722 -14.927  -1.349
  119    HB3  ASP  19           HB1      ASP  19 -13.028 -16.655  -1.205
  120    H    ASP  20           H        ASP  20 -12.392 -17.947   0.130
  121    HA   ASP  20           HA       ASP  20 -10.375 -18.090   2.147
  122    HB2  ASP  20           HB2      ASP  20 -11.026 -19.962  -0.135
  123    HB3  ASP  20           HB1      ASP  20  -9.846 -20.304   1.122
  124    H    THR  21           H        THR  21 -10.286 -17.909  -1.409
  125    HA   THR  21           HA       THR  21  -7.388 -17.499  -1.209
  126    HB   THR  21           HB       THR  21  -7.551 -17.946  -3.774
  127    HG1  THR  21           HG1      THR  21  -9.602 -19.685  -3.340
  128   HG21  THR  21          HG21      THR  21  -7.342 -20.364  -3.362
  129   HG22  THR  21          HG22      THR  21  -7.956 -20.128  -1.726
  130   HG23  THR  21          HG23      THR  21  -6.415 -19.415  -2.201
  131    H    SER  22           H        SER  22  -9.669 -15.439  -0.995
  132    HA   SER  22           HA       SER  22  -8.249 -13.464  -2.560
  133    HB2  SER  22           HB2      SER  22 -10.388 -12.536  -3.504
  134    HB3  SER  22           HB1      SER  22  -9.907 -14.093  -4.175
  135    HG   SER  22           HG       SER  22 -11.532 -15.068  -3.151
  136    H    ILE  23           H        ILE  23  -8.104 -11.568  -1.555
  137    HA   ILE  23           HA       ILE  23  -9.848 -11.109   0.783
  138    HB   ILE  23           HB       ILE  23  -8.089  -9.901   1.867
  139   HG12  ILE  23          HG12      ILE  23  -6.279 -10.399  -0.492
  140   HG13  ILE  23          HG11      ILE  23  -7.238  -8.932  -0.347
  141   HG21  ILE  23          HG21      ILE  23  -7.960 -12.313   2.125
  142   HG22  ILE  23          HG22      ILE  23  -6.343 -11.609   2.117
  143   HG23  ILE  23          HG23      ILE  23  -6.954 -12.430   0.681
  144   HD11  ILE  23          HD11      ILE  23  -4.918  -9.843   1.292
  145   HD12  ILE  23          HD12      ILE  23  -6.083  -8.697   1.952
  146   HD13  ILE  23          HD13      ILE  23  -5.187  -8.295   0.485
  147    H    VAL  24           H        VAL  24 -10.408  -8.880   1.191
  148    HA   VAL  24           HA       VAL  24 -10.145  -7.168  -1.189
  149    HB   VAL  24           HB       VAL  24 -12.259  -7.036   0.974
  150   HG11  VAL  24          HG11      VAL  24 -13.329  -5.370  -0.473
  151   HG12  VAL  24          HG12      VAL  24 -11.955  -5.450  -1.576
  152   HG13  VAL  24          HG13      VAL  24 -11.737  -4.837   0.064
  153   HG21  VAL  24          HG21      VAL  24 -13.799  -7.763  -0.794
  154   HG22  VAL  24          HG22      VAL  24 -12.557  -8.971  -0.470
  155   HG23  VAL  24          HG23      VAL  24 -12.438  -7.944  -1.899
  156    H    VAL  25           H        VAL  25  -8.496  -5.855  -0.898
  157    HA   VAL  25           HA       VAL  25  -7.890  -4.876   1.793
  158    HB   VAL  25           HB       VAL  25  -5.970  -5.877   0.902
  159   HG11  VAL  25          HG11      VAL  25  -6.605  -6.187  -1.367
  160   HG12  VAL  25          HG12      VAL  25  -5.058  -5.339  -1.342
  161   HG13  VAL  25          HG13      VAL  25  -6.545  -4.452  -1.682
  162   HG21  VAL  25          HG21      VAL  25  -5.697  -2.937   0.308
  163   HG22  VAL  25          HG22      VAL  25  -4.364  -4.075   0.522
  164   HG23  VAL  25          HG23      VAL  25  -5.448  -3.717   1.871
  165    H    ARG  26           H        ARG  26  -8.586  -2.953   2.330
  166    HA   ARG  26           HA       ARG  26  -9.032  -0.953   0.213
  167    HB2  ARG  26           HB2      ARG  26 -10.721  -1.358   2.688
  168    HB3  ARG  26           HB1      ARG  26 -11.019  -0.207   1.393
  169    HG2  ARG  26           HG2      ARG  26 -11.419  -2.014  -0.164
  170    HG3  ARG  26           HG1      ARG  26 -11.034  -3.200   1.083
  171    HD2  ARG  26           HD2      ARG  26 -13.420  -3.030   0.863
  172    HD3  ARG  26           HD1      ARG  26 -12.934  -2.358   2.416
  173    HE   ARG  26           HE       ARG  26 -13.051  -0.253   0.602
  174   HH11  ARG  26          HH11      ARG  26 -15.200  -2.565   2.080
  175   HH12  ARG  26          HH12      ARG  26 -16.589  -1.535   1.996
  176   HH21  ARG  26          HH21      ARG  26 -14.875   1.122   0.462
  177   HH22  ARG  26          HH22      ARG  26 -16.403   0.576   1.075
  178    H    TRP  27           H        TRP  27  -8.509   1.149   0.678
  179    HA   TRP  27           HA       TRP  27  -7.258   1.658   3.286
  180    HB2  TRP  27           HB2      TRP  27  -5.487   2.974   2.044
  181    HB3  TRP  27           HB1      TRP  27  -5.398   1.227   1.856
  182    HD1  TRP  27           HD1      TRP  27  -6.196   4.414  -0.112
  183    HE1  TRP  27           HE1      TRP  27  -6.175   3.856  -2.626
  184    HE3  TRP  27           HE3      TRP  27  -5.737  -0.668   0.182
  185    HZ2  TRP  27           HZ2      TRP  27  -5.975   1.570  -4.263
  186    HZ3  TRP  27           HZ3      TRP  27  -5.637  -1.967  -1.903
  187    HH2  TRP  27           HH2      TRP  27  -5.754  -0.870  -4.080
  188    H    SER  28           H        SER  28  -7.498   3.700   4.093
  189    HA   SER  28           HA       SER  28  -9.456   5.391   2.795
  190    HB2  SER  28           HB2      SER  28  -7.992   5.795   5.417
  191    HB3  SER  28           HB1      SER  28  -9.413   6.681   4.864
  192    HG   SER  28           HG       SER  28  -9.255   3.905   5.457
  193    H    ARG  29           H        ARG  29  -8.876   6.873   1.364
  194    HA   ARG  29           HA       ARG  29  -6.105   7.669   1.173
  195    HB2  ARG  29           HB2      ARG  29  -6.691   8.644  -0.958
  196    HB3  ARG  29           HB1      ARG  29  -7.342   7.020  -0.851
  197    HG2  ARG  29           HG2      ARG  29  -9.068   8.202  -1.818
  198    HG3  ARG  29           HG1      ARG  29  -9.524   8.199  -0.114
  199    HD2  ARG  29           HD2      ARG  29  -8.516  10.417   0.140
  200    HD3  ARG  29           HD1      ARG  29  -8.115  10.425  -1.575
  201    HE   ARG  29           HE       ARG  29 -10.874   9.964  -1.287
  202   HH11  ARG  29          HH11      ARG  29  -8.556  12.545  -0.768
  203   HH12  ARG  29          HH12      ARG  29  -9.696  13.803  -1.138
  204   HH21  ARG  29          HH21      ARG  29 -12.376  11.620  -1.740
  205   HH22  ARG  29          HH22      ARG  29 -11.864  13.277  -1.692
  206    HA   PRO  30           HA       PRO  30  -6.353  11.626   3.155
  207    HB2  PRO  30           HB2      PRO  30  -4.825  12.659   0.827
  208    HB3  PRO  30           HB1      PRO  30  -4.441  12.740   2.549
  209    HG2  PRO  30           HG2      PRO  30  -3.129  11.071   0.944
  210    HG3  PRO  30           HG1      PRO  30  -3.573  10.590   2.593
  211    HD2  PRO  30           HD2      PRO  30  -4.851   9.844  -0.005
  212    HD3  PRO  30           HD1      PRO  30  -4.553   8.849   1.426
  213    H1   MET  31           HT1      MET  31   3.730  37.164  -8.755
  214    H2   MET  31           HT2      MET  31   2.806  35.767  -8.501
  215    H3   MET  31           HT3      MET  31   2.381  36.850  -9.728
  216    HA   MET  31           HA       MET  31   3.433  34.905 -10.641
  217    HB2  MET  31           HB2      MET  31   5.041  37.456 -10.801
  218    HB3  MET  31           HB1      MET  31   5.320  36.070 -11.846
  219    HG2  MET  31           HG2      MET  31   3.072  36.258 -12.734
  220    HG3  MET  31           HG1      MET  31   2.739  37.604 -11.648
  221    HE1  MET  31           HE1      MET  31   4.909  40.472 -13.043
  222    HE2  MET  31           HE2      MET  31   5.351  39.373 -11.738
  223    HE3  MET  31           HE3      MET  31   3.697  39.970 -11.863
  224    H    ARG  32           H        ARG  32   5.312  36.473  -8.114
  225    HA   ARG  32           HA       ARG  32   7.423  34.482  -8.331
  226    HB2  ARG  32           HB2      ARG  32   7.789  36.960  -7.775
  227    HB3  ARG  32           HB1      ARG  32   7.139  36.583  -6.186
  228    HG2  ARG  32           HG2      ARG  32   9.513  36.529  -6.035
  229    HG3  ARG  32           HG1      ARG  32   8.934  34.864  -5.943
  230    HD2  ARG  32           HD2      ARG  32  10.875  35.012  -7.399
  231    HD3  ARG  32           HD1      ARG  32   9.443  34.567  -8.325
  232    HE   ARG  32           HE       ARG  32  10.473  37.333  -8.235
  233   HH11  ARG  32          HH11      ARG  32   9.317  34.558 -10.040
  234   HH12  ARG  32          HH12      ARG  32   9.331  35.390 -11.561
  235   HH21  ARG  32          HH21      ARG  32  10.498  38.417 -10.240
  236   HH22  ARG  32          HH22      ARG  32   9.997  37.578 -11.675
  237    H    GLY  33           H        GLY  33   6.060  32.649  -7.869
  238    HA2  GLY  33           HA2      GLY  33   5.424  30.983  -6.394
  239    HA3  GLY  33           HA1      GLY  33   5.938  32.015  -5.067
  240    H    SER  34           H        SER  34   3.353  31.606  -7.457
  241    HA   SER  34           HA       SER  34   1.352  32.180  -5.463
  242    HB2  SER  34           HB2      SER  34   0.365  34.026  -6.964
  243    HB3  SER  34           HB1      SER  34   1.778  34.445  -5.994
  244    HG   SER  34           HG       SER  34   2.262  33.417  -8.534
  245    H    ASN  35           H        ASN  35   1.128  29.888  -6.243
  246    HA   ASN  35           HA       ASN  35  -0.686  29.823  -8.566
  247    HB2  ASN  35           HB2      ASN  35   1.453  27.838  -7.798
  248    HB3  ASN  35           HB1      ASN  35   0.120  27.411  -8.861
  249   HD21  ASN  35          HD21      ASN  35   0.039  30.045 -10.128
  250   HD22  ASN  35          HD22      ASN  35   1.413  30.107 -11.173
  251    H    ALA  36           H        ALA  36  -2.185  27.938  -8.508
  252    HA   ALA  36           HA       ALA  36  -3.265  27.620  -5.831
  253    HB1  ALA  36           HB1      ALA  36  -4.788  28.167  -7.650
  254    HB2  ALA  36           HB2      ALA  36  -5.180  26.592  -6.961
  255    HB3  ALA  36           HB3      ALA  36  -4.324  26.694  -8.498
  256    HA   PRO  37           HA       PRO  37  -1.093  23.704  -5.681
  257    HB2  PRO  37           HB2      PRO  37  -1.188  23.386  -3.026
  258    HB3  PRO  37           HB1      PRO  37  -0.126  24.585  -3.773
  259    HG2  PRO  37           HG2      PRO  37  -2.762  24.964  -2.423
  260    HG3  PRO  37           HG1      PRO  37  -1.309  25.977  -2.353
  261    HD2  PRO  37           HD2      PRO  37  -3.516  26.474  -3.951
  262    HD3  PRO  37           HD1      PRO  37  -1.891  27.126  -4.233
  263    H    GLN  38           H        GLN  38  -1.678  21.596  -5.481
  264    HA   GLN  38           HA       GLN  38  -4.405  21.007  -4.532
  265    HB2  GLN  38           HB2      GLN  38  -2.786  19.637  -6.694
  266    HB3  GLN  38           HB1      GLN  38  -4.328  19.054  -6.088
  267    HG2  GLN  38           HG2      GLN  38  -3.941  21.742  -7.380
  268    HG3  GLN  38           HG1      GLN  38  -4.447  20.292  -8.244
  269   HE21  GLN  38          HE21      GLN  38  -6.486  19.445  -7.876
  270   HE22  GLN  38          HE22      GLN  38  -7.738  20.350  -7.095
  271    HA   PRO  39           HA       PRO  39  -1.086  19.759  -1.538
  272    HB2  PRO  39           HB2      PRO  39  -3.615  19.095  -0.081
  273    HB3  PRO  39           HB1      PRO  39  -2.132  19.839   0.524
  274    HG2  PRO  39           HG2      PRO  39  -4.256  21.333  -0.038
  275    HG3  PRO  39           HG1      PRO  39  -2.620  21.898  -0.421
  276    HD2  PRO  39           HD2      PRO  39  -4.753  20.913  -2.232
  277    HD3  PRO  39           HD1      PRO  39  -3.444  22.066  -2.549
  278    H    SER  40           H        SER  40  -3.998  17.671  -1.395
  279    HA   SER  40           HA       SER  40  -2.150  15.384  -1.453
  280    HB2  SER  40           HB2      SER  40  -4.874  15.613  -0.161
  281    HB3  SER  40           HB1      SER  40  -3.861  14.170  -0.157
  282    HG   SER  40           HG       SER  40  -2.537  15.064   1.257
  283    H    HIS  41           H        HIS  41  -2.113  14.869  -3.580
  284    HA   HIS  41           HA       HIS  41  -4.602  13.793  -4.676
  285    HB2  HIS  41           HB2      HIS  41  -2.846  15.854  -5.965
  286    HB3  HIS  41           HB1      HIS  41  -3.713  14.696  -6.965
  287    HD1  HIS  41           HD1      HIS  41  -4.382  17.436  -4.438
  288    HD2  HIS  41           HD2      HIS  41  -6.346  15.268  -7.387
  289    HE1  HIS  41           HE1      HIS  41  -6.627  18.536  -4.705
  290    HE2  HIS  41           HE2      HIS  41  -7.857  17.100  -6.369
  291    H    ILE  42           H        ILE  42  -4.105  11.713  -4.654
  292    HA   ILE  42           HA       ILE  42  -1.463  10.811  -5.472
  293    HB   ILE  42           HB       ILE  42  -3.849   9.294  -4.396
  294   HG12  ILE  42          HG12      ILE  42  -2.168   8.781  -2.541
  295   HG13  ILE  42          HG11      ILE  42  -1.165  10.049  -3.232
  296   HG21  ILE  42          HG21      ILE  42  -1.142   8.217  -5.165
  297   HG22  ILE  42          HG22      ILE  42  -2.662   7.907  -6.005
  298   HG23  ILE  42          HG23      ILE  42  -2.426   7.311  -4.362
  299   HD11  ILE  42          HD11      ILE  42  -3.936  10.381  -2.110
  300   HD12  ILE  42          HD12      ILE  42  -2.965  11.663  -2.834
  301   HD13  ILE  42          HD13      ILE  42  -2.426  10.879  -1.349
  302    H    SER  43           H        SER  43  -1.007   9.957  -7.393
  303    HA   SER  43           HA       SER  43  -3.019  10.131  -9.463
  304    HB2  SER  43           HB2      SER  43  -0.735  11.009  -9.826
  305    HB3  SER  43           HB1      SER  43  -0.090   9.379  -9.638
  306    HG   SER  43           HG       SER  43  -2.040  10.037 -11.588
  307    H    LYS  44           H        LYS  44  -1.248   7.658  -7.734
  308    HA   LYS  44           HA       LYS  44  -3.071   5.630  -8.591
  309    HB2  LYS  44           HB2      LYS  44  -1.373   4.169  -9.654
  310    HB3  LYS  44           HB1      LYS  44  -1.673   5.637 -10.573
  311    HG2  LYS  44           HG2      LYS  44   0.365   6.626  -9.584
  312    HG3  LYS  44           HG1      LYS  44   0.681   5.088  -8.777
  313    HD2  LYS  44           HD2      LYS  44   0.839   3.970 -10.933
  314    HD3  LYS  44           HD1      LYS  44   0.461   5.482 -11.761
  315    HE2  LYS  44           HE2      LYS  44   2.491   6.487 -10.789
  316    HE3  LYS  44           HE1      LYS  44   2.875   4.940 -10.040
  317    HZ1  LYS  44           HZ1      LYS  44   3.008   3.961 -12.255
  318    HZ2  LYS  44           HZ2      LYS  44   4.109   5.231 -12.072
  319    HZ3  LYS  44           HZ3      LYS  44   2.686   5.468 -12.954
  320    H    TYR  45           H        TYR  45  -2.987   3.818  -7.311
  321    HA   TYR  45           HA       TYR  45  -1.075   3.904  -5.069
  322    HB2  TYR  45           HB2      TYR  45  -3.673   2.358  -5.190
  323    HB3  TYR  45           HB1      TYR  45  -2.677   2.662  -3.776
  324    HD1  TYR  45           HD1      TYR  45  -5.231   3.984  -5.993
  325    HD2  TYR  45           HD2      TYR  45  -2.691   4.885  -2.702
  326    HE1  TYR  45           HE1      TYR  45  -6.616   5.942  -5.467
  327    HE2  TYR  45           HE2      TYR  45  -4.073   6.850  -2.167
  328    HH   TYR  45           HH       TYR  45  -5.650   8.391  -3.416
  329    H    ILE  46           H        ILE  46   0.427   2.326  -4.999
  330    HA   ILE  46           HA       ILE  46   0.000  -0.003  -6.739
  331    HB   ILE  46           HB       ILE  46   2.579   1.118  -5.622
  332   HG12  ILE  46          HG12      ILE  46   3.110   1.205  -8.140
  333   HG13  ILE  46          HG11      ILE  46   1.384   0.988  -8.390
  334   HG21  ILE  46          HG21      ILE  46   2.624  -1.327  -5.624
  335   HG22  ILE  46          HG22      ILE  46   3.731  -0.657  -6.821
  336   HG23  ILE  46          HG23      ILE  46   2.183  -1.334  -7.330
  337   HD11  ILE  46          HD11      ILE  46   2.003   3.321  -8.542
  338   HD12  ILE  46          HD12      ILE  46   2.688   3.263  -6.917
  339   HD13  ILE  46          HD13      ILE  46   0.954   3.049  -7.151
  340    H    LEU  47           H        LEU  47  -0.652  -1.768  -5.789
  341    HA   LEU  47           HA       LEU  47  -0.183  -2.171  -2.923
  342    HB2  LEU  47           HB2      LEU  47  -2.468  -2.422  -4.219
  343    HB3  LEU  47           HB1      LEU  47  -1.823  -3.982  -4.672
  344    HG   LEU  47           HG       LEU  47  -3.324  -4.223  -2.792
  345   HD11  LEU  47          HD11      LEU  47  -1.835  -5.289  -1.142
  346   HD12  LEU  47          HD12      LEU  47  -0.449  -4.602  -1.991
  347   HD13  LEU  47          HD13      LEU  47  -1.494  -5.765  -2.805
  348   HD21  LEU  47          HD21      LEU  47  -2.880  -3.178  -0.639
  349   HD22  LEU  47          HD22      LEU  47  -3.147  -1.969  -1.893
  350   HD23  LEU  47          HD23      LEU  47  -1.510  -2.311  -1.331
  351    H    ARG  48           H        ARG  48   1.663  -3.231  -2.475
  352    HA   ARG  48           HA       ARG  48   2.448  -5.433  -4.271
  353    HB2  ARG  48           HB2      ARG  48   4.179  -3.682  -2.524
  354    HB3  ARG  48           HB1      ARG  48   4.757  -5.110  -3.365
  355    HG2  ARG  48           HG2      ARG  48   4.139  -4.065  -5.487
  356    HG3  ARG  48           HG1      ARG  48   3.625  -2.629  -4.607
  357    HD2  ARG  48           HD2      ARG  48   5.871  -2.312  -3.752
  358    HD3  ARG  48           HD1      ARG  48   6.407  -3.785  -4.564
  359    HE   ARG  48           HE       ARG  48   5.513  -2.445  -6.629
  360   HH11  ARG  48          HH11      ARG  48   7.461  -1.306  -3.956
  361   HH12  ARG  48          HH12      ARG  48   8.190  -0.025  -4.869
  362   HH21  ARG  48          HH21      ARG  48   6.491  -0.803  -7.842
  363   HH22  ARG  48          HH22      ARG  48   7.642   0.258  -7.094
  364    H    TRP  49           H        TRP  49   2.631  -7.432  -3.446
  365    HA   TRP  49           HA       TRP  49   2.821  -7.720  -0.545
  366    HB2  TRP  49           HB2      TRP  49   1.081  -9.409  -0.454
  367    HB3  TRP  49           HB1      TRP  49   0.427  -7.905  -1.082
  368    HD1  TRP  49           HD1      TRP  49   0.825 -11.543  -1.906
  369    HE1  TRP  49           HE1      TRP  49  -0.275 -12.044  -4.180
  370    HE3  TRP  49           HE3      TRP  49   0.035  -6.752  -3.503
  371    HZ2  TRP  49           HZ2      TRP  49  -1.325 -10.598  -6.362
  372    HZ3  TRP  49           HZ3      TRP  49  -1.024  -6.396  -5.692
  373    HH2  TRP  49           HH2      TRP  49  -1.689  -8.280  -7.093
  374    H    ARG  50           H        ARG  50   3.886  -9.502   0.164
  375    HA   ARG  50           HA       ARG  50   4.867 -11.407  -1.838
  376    HB2  ARG  50           HB2      ARG  50   6.556  -9.584  -1.390
  377    HB3  ARG  50           HB1      ARG  50   6.625 -10.144   0.272
  378    HG2  ARG  50           HG2      ARG  50   7.151 -12.082  -1.930
  379    HG3  ARG  50           HG1      ARG  50   8.397 -10.914  -1.490
  380    HD2  ARG  50           HD2      ARG  50   7.072 -12.877   0.380
  381    HD3  ARG  50           HD1      ARG  50   8.687 -13.037  -0.308
  382    HE   ARG  50           HE       ARG  50   8.435 -10.576   1.070
  383   HH11  ARG  50          HH11      ARG  50   8.828 -14.011   1.596
  384   HH12  ARG  50          HH12      ARG  50   9.593 -13.814   3.142
  385   HH21  ARG  50          HH21      ARG  50   9.440 -10.305   3.107
  386   HH22  ARG  50          HH22      ARG  50   9.942 -11.706   4.001
  387    HA   PRO  51           HA       PRO  51   3.320 -14.116   1.381
  388    HB2  PRO  51           HB2      PRO  51   4.596 -16.232  -0.210
  389    HB3  PRO  51           HB1      PRO  51   2.896 -16.015   0.206
  390    HG2  PRO  51           HG2      PRO  51   3.818 -15.634  -2.293
  391    HG3  PRO  51           HG1      PRO  51   2.478 -14.683  -1.625
  392    HD2  PRO  51           HD2      PRO  51   5.348 -13.932  -1.984
  393    HD3  PRO  51           HD1      PRO  51   3.884 -12.955  -2.219
  394    H    LYS  52           H        LYS  52   4.280 -14.616   3.255
  395    HA   LYS  52           HA       LYS  52   7.106 -14.438   3.547
  396    HB2  LYS  52           HB2      LYS  52   4.894 -15.213   5.438
  397    HB3  LYS  52           HB1      LYS  52   6.583 -15.177   5.926
  398    HG2  LYS  52           HG2      LYS  52   5.200 -12.805   4.709
  399    HG3  LYS  52           HG1      LYS  52   5.209 -13.121   6.446
  400    HD2  LYS  52           HD2      LYS  52   7.780 -13.076   4.915
  401    HD3  LYS  52           HD1      LYS  52   7.021 -11.564   5.410
  402    HE2  LYS  52           HE2      LYS  52   7.808 -13.832   7.231
  403    HE3  LYS  52           HE1      LYS  52   8.671 -12.304   7.047
  404    HZ1  LYS  52           HZ1      LYS  52   5.996 -12.763   8.226
  405    HZ2  LYS  52           HZ2      LYS  52   6.503 -11.222   7.736
  406    HZ3  LYS  52           HZ3      LYS  52   7.351 -12.053   8.947
  407    H    ASN  53           H        ASN  53   4.899 -17.096   3.128
  408    HA   ASN  53           HA       ASN  53   6.809 -19.111   3.828
  409    HB2  ASN  53           HB2      ASN  53   5.224 -20.714   3.135
  410    HB3  ASN  53           HB1      ASN  53   4.278 -19.405   3.816
  411   HD21  ASN  53          HD21      ASN  53   4.584 -17.717   1.426
  412   HD22  ASN  53          HD22      ASN  53   3.556 -18.414   0.227
  413    H    SER  54           H        SER  54   7.001 -16.953   1.498
  414    HA   SER  54           HA       SER  54   8.437 -18.763  -0.305
  415    HB2  SER  54           HB2      SER  54   6.697 -16.444  -1.186
  416    HB3  SER  54           HB1      SER  54   7.635 -17.499  -2.242
  417    HG   SER  54           HG       SER  54   6.324 -19.255  -1.415
  418    H    VAL  55           H        VAL  55  10.249 -17.820  -1.337
  419    HA   VAL  55           HA       VAL  55  11.121 -15.262  -0.156
  420    HB   VAL  55           HB       VAL  55  13.458 -16.098  -0.364
  421   HG11  VAL  55          HG11      VAL  55  13.381 -17.592   1.580
  422   HG12  VAL  55          HG12      VAL  55  11.641 -17.779   1.360
  423   HG13  VAL  55          HG13      VAL  55  12.313 -16.203   1.778
  424   HG21  VAL  55          HG21      VAL  55  13.128 -17.784  -2.083
  425   HG22  VAL  55          HG22      VAL  55  12.119 -18.731  -0.991
  426   HG23  VAL  55          HG23      VAL  55  13.834 -18.515  -0.643
  427    H    GLY  56           H        GLY  56   9.683 -15.790  -2.657
  428    HA2  GLY  56           HA2      GLY  56  11.665 -15.475  -4.754
  429    HA3  GLY  56           HA1      GLY  56   9.934 -15.653  -4.974
  430    H    ARG  57           H        ARG  57   8.906 -13.923  -5.675
  431    HA   ARG  57           HA       ARG  57  10.267 -11.321  -5.411
  432    HB2  ARG  57           HB2      ARG  57   8.581 -12.397  -7.670
  433    HB3  ARG  57           HB1      ARG  57   9.183 -10.749  -7.577
  434    HG2  ARG  57           HG2      ARG  57  11.464 -11.533  -7.683
  435    HG3  ARG  57           HG1      ARG  57  10.913 -13.211  -7.660
  436    HD2  ARG  57           HD2      ARG  57  10.244 -11.186  -9.786
  437    HD3  ARG  57           HD1      ARG  57  11.487 -12.428  -9.926
  438    HE   ARG  57           HE       ARG  57   9.559 -14.041  -9.569
  439   HH11  ARG  57          HH11      ARG  57   9.154 -10.925 -11.127
  440   HH12  ARG  57          HH12      ARG  57   7.782 -11.431 -12.057
  441   HH21  ARG  57          HH21      ARG  57   7.766 -14.709 -10.798
  442   HH22  ARG  57          HH22      ARG  57   6.992 -13.586 -11.872
  443    H    TRP  58           H        TRP  58   8.926  -9.439  -5.386
  444    HA   TRP  58           HA       TRP  58   6.468  -9.757  -3.908
  445    HB2  TRP  58           HB2      TRP  58   7.996  -7.356  -4.915
  446    HB3  TRP  58           HB1      TRP  58   6.430  -7.209  -4.130
  447    HD1  TRP  58           HD1      TRP  58   9.902  -8.750  -3.278
  448    HE1  TRP  58           HE1      TRP  58  10.328  -8.365  -0.765
  449    HE3  TRP  58           HE3      TRP  58   5.491  -6.484  -2.051
  450    HZ2  TRP  58           HZ2      TRP  58   8.965  -7.242   1.438
  451    HZ3  TRP  58           HZ3      TRP  58   5.131  -5.779   0.278
  452    HH2  TRP  58           HH2      TRP  58   6.835  -6.152   1.985
  453    H    LYS  59           H        LYS  59   4.413  -9.441  -4.658
  454    HA   LYS  59           HA       LYS  59   4.106  -9.217  -7.561
  455    HB2  LYS  59           HB2      LYS  59   2.058  -9.892  -5.439
  456    HB3  LYS  59           HB1      LYS  59   1.795  -9.953  -7.175
  457    HG2  LYS  59           HG2      LYS  59   3.526 -11.700  -7.344
  458    HG3  LYS  59           HG1      LYS  59   3.679 -11.679  -5.586
  459    HD2  LYS  59           HD2      LYS  59   1.315 -12.300  -5.382
  460    HD3  LYS  59           HD1      LYS  59   1.175 -12.335  -7.139
  461    HE2  LYS  59           HE2      LYS  59   2.958 -14.091  -5.461
  462    HE3  LYS  59           HE1      LYS  59   1.452 -14.580  -6.236
  463    HZ1  LYS  59           HZ1      LYS  59   3.930 -13.699  -7.615
  464    HZ2  LYS  59           HZ2      LYS  59   2.475 -14.081  -8.388
  465    HZ3  LYS  59           HZ3      LYS  59   3.324 -15.277  -7.549
  466    H    GLU  60           H        GLU  60   3.023  -7.532  -8.532
  467    HA   GLU  60           HA       GLU  60   2.424  -5.261  -6.753
  468    HB2  GLU  60           HB2      GLU  60   3.491  -5.120  -9.576
  469    HB3  GLU  60           HB1      GLU  60   3.230  -3.768  -8.484
  470    HG2  GLU  60           HG2      GLU  60   4.949  -4.708  -6.978
  471    HG3  GLU  60           HG1      GLU  60   5.252  -5.972  -8.164
  472    H    ALA  61           H        ALA  61   0.574  -4.150  -7.051
  473    HA   ALA  61           HA       ALA  61  -0.978  -4.621  -9.506
  474    HB1  ALA  61           HB1      ALA  61  -3.053  -4.587  -8.196
  475    HB2  ALA  61           HB2      ALA  61  -2.111  -4.480  -6.709
  476    HB3  ALA  61           HB3      ALA  61  -2.010  -5.925  -7.713
  477    H    THR  62           H        THR  62  -1.782  -2.782 -10.421
  478    HA   THR  62           HA       THR  62  -1.108  -0.280  -9.032
  479    HB   THR  62           HB       THR  62  -1.555  -0.589 -11.999
  480    HG1  THR  62           HG1      THR  62   0.206  -1.845 -11.696
  481   HG21  THR  62          HG21      THR  62  -0.077   1.474 -10.356
  482   HG22  THR  62          HG22      THR  62  -1.663   1.691 -11.095
  483   HG23  THR  62          HG23      THR  62  -0.238   1.475 -12.112
  484    H    ILE  63           H        ILE  63  -2.762   0.799  -8.234
  485    HA   ILE  63           HA       ILE  63  -5.421   0.466  -9.462
  486    HB   ILE  63           HB       ILE  63  -4.715   1.330  -6.648
  487   HG12  ILE  63          HG12      ILE  63  -6.098  -0.880  -6.213
  488   HG13  ILE  63          HG11      ILE  63  -5.539  -1.291  -7.829
  489   HG21  ILE  63          HG21      ILE  63  -7.412   0.813  -7.885
  490   HG22  ILE  63          HG22      ILE  63  -6.757   2.392  -7.447
  491   HG23  ILE  63          HG23      ILE  63  -7.105   1.201  -6.192
  492   HD11  ILE  63          HD11      ILE  63  -3.226  -1.031  -7.093
  493   HD12  ILE  63          HD12      ILE  63  -4.089  -2.226  -6.124
  494   HD13  ILE  63          HD13      ILE  63  -3.789  -0.614  -5.473
  495    HA   PRO  64           HA       PRO  64  -5.267   4.723 -10.911
  496    HB2  PRO  64           HB2      PRO  64  -8.202   4.458 -10.377
  497    HB3  PRO  64           HB1      PRO  64  -7.367   5.059 -11.819
  498    HG2  PRO  64           HG2      PRO  64  -8.447   2.634 -11.807
  499    HG3  PRO  64           HG1      PRO  64  -6.884   2.925 -12.593
  500    HD2  PRO  64           HD2      PRO  64  -7.480   1.602  -9.987
  501    HD3  PRO  64           HD1      PRO  64  -6.216   1.237 -11.178
  502    H    GLY  65           H        GLY  65  -5.224   6.709  -9.933
  503    HA2  GLY  65           HA2      GLY  65  -5.549   6.921  -7.107
  504    HA3  GLY  65           HA1      GLY  65  -5.232   8.246  -8.217
  505    H    HIS  66           H        HIS  66  -7.806   6.024  -7.311
  506    HA   HIS  66           HA       HIS  66  -9.803   8.000  -6.960
  507    HB2  HIS  66           HB2      HIS  66  -9.755   8.253  -9.344
  508    HB3  HIS  66           HB1      HIS  66  -9.705   6.515  -9.592
  509    HD1  HIS  66           HD1      HIS  66 -12.087   9.289  -8.668
  510    HD2  HIS  66           HD2      HIS  66 -12.144   5.259  -9.688
  511    HE1  HIS  66           HE1      HIS  66 -14.505   8.722  -9.049
  512    HE2  HIS  66           HE2      HIS  66 -14.531   6.243  -9.496
  513    H    LEU  67           H        LEU  67  -8.726   4.735  -7.361
  514    HA   LEU  67           HA       LEU  67 -11.130   3.729  -6.004
  515    HB2  LEU  67           HB2      LEU  67  -8.891   2.105  -7.204
  516    HB3  LEU  67           HB1      LEU  67 -10.450   1.521  -6.662
  517    HG   LEU  67           HG       LEU  67  -9.915   3.243  -9.077
  518   HD11  LEU  67          HD11      LEU  67 -10.729   1.311 -10.316
  519   HD12  LEU  67          HD12      LEU  67 -10.917   0.416  -8.809
  520   HD13  LEU  67          HD13      LEU  67  -9.312   0.899  -9.351
  521   HD21  LEU  67          HD21      LEU  67 -12.014   3.885  -8.003
  522   HD22  LEU  67          HD22      LEU  67 -12.531   2.198  -8.004
  523   HD23  LEU  67          HD23      LEU  67 -12.304   3.051  -9.529
  524    H    ASN  68           H        ASN  68 -10.990   2.802  -4.000
  525    HA   ASN  68           HA       ASN  68  -8.324   2.801  -2.749
  526    HB2  ASN  68           HB2      ASN  68  -9.287   3.573  -0.671
  527    HB3  ASN  68           HB1      ASN  68  -9.717   4.698  -1.952
  528   HD21  ASN  68          HD21      ASN  68 -10.931   3.988   0.680
  529   HD22  ASN  68          HD22      ASN  68 -12.593   3.664   0.321
  530    H    SER  69           H        SER  69 -10.147   0.733  -4.012
  531    HA   SER  69           HA       SER  69  -9.878  -1.217  -1.855
  532    HB2  SER  69           HB2      SER  69 -12.233  -0.448  -1.814
  533    HB3  SER  69           HB1      SER  69 -12.395  -0.897  -3.511
  534    HG   SER  69           HG       SER  69 -12.843  -2.821  -2.835
  535    H    TYR  70           H        TYR  70  -9.041  -3.086  -2.549
  536    HA   TYR  70           HA       TYR  70  -9.328  -3.825  -5.367
  537    HB2  TYR  70           HB2      TYR  70  -7.149  -2.652  -5.124
  538    HB3  TYR  70           HB1      TYR  70  -6.672  -3.823  -3.899
  539    HD1  TYR  70           HD1      TYR  70  -7.688  -3.550  -7.473
  540    HD2  TYR  70           HD2      TYR  70  -5.604  -5.808  -4.529
  541    HE1  TYR  70           HE1      TYR  70  -6.789  -5.008  -9.237
  542    HE2  TYR  70           HE2      TYR  70  -4.698  -7.270  -6.287
  543    HH   TYR  70           HH       TYR  70  -5.239  -7.963  -8.563
  544    H    THR  71           H        THR  71  -9.640  -5.980  -5.658
  545    HA   THR  71           HA       THR  71  -9.577  -7.656  -3.256
  546    HB   THR  71           HB       THR  71 -10.859  -8.221  -5.933
  547    HG1  THR  71           HG1      THR  71 -11.948  -6.526  -4.920
  548   HG21  THR  71          HG21      THR  71 -11.102  -9.624  -3.271
  549   HG22  THR  71          HG22      THR  71 -10.328 -10.258  -4.725
  550   HG23  THR  71          HG23      THR  71 -12.069  -9.981  -4.702
  551    H    ILE  72           H        ILE  72  -7.623  -8.562  -3.012
  552    HA   ILE  72           HA       ILE  72  -5.987  -9.300  -5.268
  553    HB   ILE  72           HB       ILE  72  -5.538  -9.959  -2.352
  554   HG12  ILE  72          HG12      ILE  72  -4.489  -7.629  -3.975
  555   HG13  ILE  72          HG11      ILE  72  -5.707  -7.523  -2.709
  556   HG21  ILE  72          HG21      ILE  72  -3.198 -10.230  -3.032
  557   HG22  ILE  72          HG22      ILE  72  -3.650  -9.903  -4.704
  558   HG23  ILE  72          HG23      ILE  72  -4.259 -11.345  -3.892
  559   HD11  ILE  72          HD11      ILE  72  -3.625  -6.814  -1.797
  560   HD12  ILE  72          HD12      ILE  72  -2.814  -8.265  -2.403
  561   HD13  ILE  72          HD13      ILE  72  -4.005  -8.400  -1.114
  562    H    LYS  73           H        LYS  73  -6.372 -11.071  -6.381
  563    HA   LYS  73           HA       LYS  73  -7.728 -13.324  -5.093
  564    HB2  LYS  73           HB2      LYS  73  -7.260 -12.747  -8.026
  565    HB3  LYS  73           HB1      LYS  73  -8.224 -14.068  -7.377
  566    HG2  LYS  73           HG2      LYS  73  -9.864 -12.565  -6.530
  567    HG3  LYS  73           HG1      LYS  73  -8.841 -11.167  -6.873
  568    HD2  LYS  73           HD2      LYS  73  -8.991 -11.695  -9.283
  569    HD3  LYS  73           HD1      LYS  73 -10.088 -13.024  -8.899
  570    HE2  LYS  73           HE2      LYS  73 -10.609 -10.155  -8.146
  571    HE3  LYS  73           HE1      LYS  73 -11.194 -10.890  -9.637
  572    HZ1  LYS  73           HZ1      LYS  73 -12.888 -10.937  -7.940
  573    HZ2  LYS  73           HZ2      LYS  73 -11.864 -11.763  -6.880
  574    HZ3  LYS  73           HZ3      LYS  73 -12.399 -12.516  -8.294
  575    H    GLY  74           H        GLY  74  -6.860 -15.365  -5.061
  576    HA2  GLY  74           HA2      GLY  74  -5.343 -17.055  -5.712
  577    HA3  GLY  74           HA1      GLY  74  -4.309 -15.824  -6.422
  578    H    LEU  75           H        LEU  75  -5.649 -15.560  -3.200
  579    HA   LEU  75           HA       LEU  75  -2.931 -15.834  -2.117
  580    HB2  LEU  75           HB2      LEU  75  -5.393 -14.512  -0.979
  581    HB3  LEU  75           HB1      LEU  75  -3.908 -14.739  -0.077
  582    HG   LEU  75           HG       LEU  75  -4.336 -12.973  -2.489
  583   HD11  LEU  75          HD11      LEU  75  -3.527 -12.416   0.354
  584   HD12  LEU  75          HD12      LEU  75  -5.086 -12.055  -0.383
  585   HD13  LEU  75          HD13      LEU  75  -3.635 -11.219  -0.936
  586   HD21  LEU  75          HD21      LEU  75  -1.759 -13.667  -1.078
  587   HD22  LEU  75          HD22      LEU  75  -1.957 -12.371  -2.256
  588   HD23  LEU  75          HD23      LEU  75  -2.181 -14.049  -2.747
  589    H    LYS  76           H        LYS  76  -2.442 -17.384  -0.677
  590    HA   LYS  76           HA       LYS  76  -4.361 -19.490  -0.192
  591    HB2  LYS  76           HB2      LYS  76  -1.543 -19.156   0.856
  592    HB3  LYS  76           HB1      LYS  76  -2.502 -20.629   0.913
  593    HG2  LYS  76           HG2      LYS  76  -2.422 -20.847  -1.468
  594    HG3  LYS  76           HG1      LYS  76  -1.654 -19.268  -1.632
  595    HD2  LYS  76           HD2      LYS  76   0.286 -20.109  -0.361
  596    HD3  LYS  76           HD1      LYS  76  -0.478 -21.696  -0.285
  597    HE2  LYS  76           HE2      LYS  76   1.173 -21.631  -2.063
  598    HE3  LYS  76           HE1      LYS  76  -0.448 -21.823  -2.730
  599    HZ1  LYS  76           HZ1      LYS  76  -0.478 -19.472  -3.252
  600    HZ2  LYS  76           HZ2      LYS  76   0.852 -20.217  -3.979
  601    HZ3  LYS  76           HZ3      LYS  76   1.065 -19.272  -2.592
  602    HA   PRO  77           HA       PRO  77  -5.784 -17.605   3.596
  603    HB2  PRO  77           HB2      PRO  77  -7.232 -19.731   4.501
  604    HB3  PRO  77           HB1      PRO  77  -7.801 -18.631   3.242
  605    HG2  PRO  77           HG2      PRO  77  -6.561 -21.340   2.974
  606    HG3  PRO  77           HG1      PRO  77  -7.928 -20.640   2.088
  607    HD2  PRO  77           HD2      PRO  77  -5.436 -20.788   1.043
  608    HD3  PRO  77           HD1      PRO  77  -6.561 -19.472   0.649
  609    H    GLY  78           H        GLY  78  -4.587 -17.371   5.366
  610    HA2  GLY  78           HA2      GLY  78  -3.876 -18.241   7.492
  611    HA3  GLY  78           HA1      GLY  78  -3.553 -19.778   6.707
  612    H    VAL  79           H        VAL  79  -2.300 -18.317   4.420
  613    HA   VAL  79           HA       VAL  79   0.378 -18.340   5.430
  614    HB   VAL  79           HB       VAL  79  -0.710 -17.576   2.710
  615   HG11  VAL  79          HG11      VAL  79   1.452 -16.512   3.079
  616   HG12  VAL  79          HG12      VAL  79   1.580 -17.820   1.901
  617   HG13  VAL  79          HG13      VAL  79   2.140 -18.066   3.554
  618   HG21  VAL  79          HG21      VAL  79   0.180 -19.763   2.034
  619   HG22  VAL  79          HG22      VAL  79  -1.090 -19.901   3.255
  620   HG23  VAL  79          HG23      VAL  79   0.604 -20.090   3.714
  621    H    VAL  80           H        VAL  80   1.744 -16.626   5.783
  622    HA   VAL  80           HA       VAL  80   0.441 -14.082   6.282
  623    HB   VAL  80           HB       VAL  80   3.330 -14.834   6.757
  624   HG11  VAL  80          HG11      VAL  80   3.300 -12.985   8.359
  625   HG12  VAL  80          HG12      VAL  80   1.629 -12.630   7.920
  626   HG13  VAL  80          HG13      VAL  80   2.915 -12.428   6.730
  627   HG21  VAL  80          HG21      VAL  80   0.969 -15.029   8.616
  628   HG22  VAL  80          HG22      VAL  80   2.653 -15.236   9.089
  629   HG23  VAL  80          HG23      VAL  80   1.908 -16.369   7.964
  630    H    TYR  81           H        TYR  81   0.751 -12.246   5.137
  631    HA   TYR  81           HA       TYR  81   2.723 -12.328   2.954
  632    HB2  TYR  81           HB2      TYR  81  -0.018 -11.048   2.848
  633    HB3  TYR  81           HB1      TYR  81   1.185 -11.024   1.561
  634    HD1  TYR  81           HD1      TYR  81   1.645 -13.034   0.253
  635    HD2  TYR  81           HD2      TYR  81  -1.308 -13.029   3.309
  636    HE1  TYR  81           HE1      TYR  81   0.756 -15.157  -0.606
  637    HE2  TYR  81           HE2      TYR  81  -2.202 -15.149   2.458
  638    HH   TYR  81           HH       TYR  81  -2.134 -16.623   0.812
  639    H    GLU  82           H        GLU  82   3.856 -10.500   2.556
  640    HA   GLU  82           HA       GLU  82   3.589  -8.336   4.522
  641    HB2  GLU  82           HB2      GLU  82   5.829  -9.001   2.593
  642    HB3  GLU  82           HB1      GLU  82   5.843  -7.661   3.731
  643    HG2  GLU  82           HG2      GLU  82   5.655 -10.558   4.502
  644    HG3  GLU  82           HG1      GLU  82   7.147  -9.621   4.472
  645    H    GLY  83           H        GLY  83   2.488  -6.602   3.868
  646    HA2  GLY  83           HA2      GLY  83   2.343  -6.126   0.958
  647    HA3  GLY  83           HA1      GLY  83   0.994  -5.856   2.054
  648    H    GLN  84           H        GLN  84   2.473  -4.108   0.175
  649    HA   GLN  84           HA       GLN  84   2.808  -1.897   2.069
  650    HB2  GLN  84           HB2      GLN  84   4.617  -2.436  -0.296
  651    HB3  GLN  84           HB1      GLN  84   4.668  -0.998   0.713
  652    HG2  GLN  84           HG2      GLN  84   5.214  -2.445   2.649
  653    HG3  GLN  84           HG1      GLN  84   5.286  -3.819   1.549
  654   HE21  GLN  84          HE21      GLN  84   6.953  -3.956   0.064
  655   HE22  GLN  84          HE22      GLN  84   8.405  -3.029   0.218
  656    H    LEU  85           H        LEU  85   1.576  -0.227   1.547
  657    HA   LEU  85           HA       LEU  85   0.448  -0.096  -1.160
  658    HB2  LEU  85           HB2      LEU  85  -1.054  -0.058   0.877
  659    HB3  LEU  85           HB1      LEU  85  -0.353   1.490   1.289
  660    HG   LEU  85           HG       LEU  85  -2.627   1.535   0.165
  661   HD11  LEU  85          HD11      LEU  85  -0.402   3.059  -1.173
  662   HD12  LEU  85          HD12      LEU  85  -1.242   3.528   0.306
  663   HD13  LEU  85          HD13      LEU  85  -2.115   3.468  -1.225
  664   HD21  LEU  85          HD21      LEU  85  -1.013   0.879  -2.294
  665   HD22  LEU  85          HD22      LEU  85  -2.729   1.282  -2.234
  666   HD23  LEU  85          HD23      LEU  85  -2.147  -0.212  -1.502
  667    H    ILE  86           H        ILE  86   1.808   0.960  -2.454
  668    HA   ILE  86           HA       ILE  86   3.184   3.338  -1.431
  669    HB   ILE  86           HB       ILE  86   3.567   2.029  -4.135
  670   HG12  ILE  86          HG12      ILE  86   5.820   1.342  -2.996
  671   HG13  ILE  86          HG11      ILE  86   4.921   1.534  -1.500
  672   HG21  ILE  86          HG21      ILE  86   5.281   4.000  -2.624
  673   HG22  ILE  86          HG22      ILE  86   4.223   4.391  -3.982
  674   HG23  ILE  86          HG23      ILE  86   5.615   3.336  -4.227
  675   HD11  ILE  86          HD11      ILE  86   4.215  -0.330  -3.752
  676   HD12  ILE  86          HD12      ILE  86   3.317  -0.143  -2.245
  677   HD13  ILE  86          HD13      ILE  86   4.961  -0.781  -2.218
  678    H    SER  87           H        SER  87   1.896   5.055  -1.523
  679    HA   SER  87           HA       SER  87   0.158   5.437  -3.834
  680    HB2  SER  87           HB2      SER  87  -0.599   7.465  -2.460
  681    HB3  SER  87           HB1      SER  87  -0.966   5.874  -1.798
  682    HG   SER  87           HG       SER  87   1.476   6.875  -1.031
  683    H    ILE  88           H        ILE  88   0.858   6.514  -5.532
  684    HA   ILE  88           HA       ILE  88   3.207   8.235  -5.286
  685    HB   ILE  88           HB       ILE  88   1.743   7.396  -7.793
  686   HG12  ILE  88          HG12      ILE  88   2.638   5.439  -6.602
  687   HG13  ILE  88          HG11      ILE  88   3.508   5.729  -8.104
  688   HG21  ILE  88          HG21      ILE  88   3.806   8.061  -8.938
  689   HG22  ILE  88          HG22      ILE  88   4.481   8.596  -7.399
  690   HG23  ILE  88          HG23      ILE  88   3.071   9.411  -8.073
  691   HD11  ILE  88          HD11      ILE  88   4.451   6.450  -5.342
  692   HD12  ILE  88          HD12      ILE  88   5.321   6.768  -6.843
  693   HD13  ILE  88          HD13      ILE  88   5.025   5.107  -6.331
  694    H    GLN  89           H        GLN  89   2.823  10.298  -4.819
  695    HA   GLN  89           HA       GLN  89   0.322  11.566  -5.532
  696    HB2  GLN  89           HB2      GLN  89   2.793  12.683  -4.209
  697    HB3  GLN  89           HB1      GLN  89   1.260  13.523  -4.374
  698    HG2  GLN  89           HG2      GLN  89   0.187  11.796  -2.997
  699    HG3  GLN  89           HG1      GLN  89   1.754  11.011  -2.795
  700   HE21  GLN  89          HE21      GLN  89   1.829  11.296  -0.591
  701   HE22  GLN  89          HE22      GLN  89   2.052  12.847   0.147
  702    H    GLN  90           H        GLN  90   0.199  13.540  -6.722
  703    HA   GLN  90           HA       GLN  90   1.565  13.398  -9.200
  704    HB2  GLN  90           HB2      GLN  90   0.320  15.434  -9.773
  705    HB3  GLN  90           HB1      GLN  90  -0.722  14.220  -9.043
  706    HG2  GLN  90           HG2      GLN  90  -0.652  15.400  -6.926
  707    HG3  GLN  90           HG1      GLN  90   0.448  16.595  -7.610
  708   HE21  GLN  90          HE21      GLN  90  -0.957  18.282  -7.207
  709   HE22  GLN  90          HE22      GLN  90  -2.393  18.527  -8.136
  710    H    TYR  91           H        TYR  91   2.494  14.766  -6.265
  711    HA   TYR  91           HA       TYR  91   4.236  16.745  -7.507
  712    HB2  TYR  91           HB2      TYR  91   3.744  16.011  -4.619
  713    HB3  TYR  91           HB1      TYR  91   4.951  17.186  -5.126
  714    HD1  TYR  91           HD1      TYR  91   1.797  16.928  -3.815
  715    HD2  TYR  91           HD2      TYR  91   3.865  18.946  -6.930
  716    HE1  TYR  91           HE1      TYR  91   0.088  18.694  -3.796
  717    HE2  TYR  91           HE2      TYR  91   2.167  20.720  -6.918
  718    HH   TYR  91           HH       TYR  91  -0.036  21.125  -4.436
  719    H    GLY  92           H        GLY  92   4.300  13.502  -7.057
  720    HA2  GLY  92           HA2      GLY  92   6.114  12.104  -7.547
  721    HA3  GLY  92           HA1      GLY  92   7.208  13.442  -7.235
  722    H    HIS  93           H        HIS  93   5.006  13.309  -4.755
  723    HA   HIS  93           HA       HIS  93   6.923  12.233  -2.911
  724    HB2  HIS  93           HB2      HIS  93   4.621  13.856  -2.701
  725    HB3  HIS  93           HB1      HIS  93   4.252  12.387  -1.812
  726    HD1  HIS  93           HD1      HIS  93   5.509  11.978   0.400
  727    HD2  HIS  93           HD2      HIS  93   6.687  15.430  -1.612
  728    HE1  HIS  93           HE1      HIS  93   6.917  13.273   2.028
  729    HE2  HIS  93           HE2      HIS  93   7.484  15.421   0.850
  730    H    GLN  94           H        GLN  94   7.232  10.125  -2.587
  731    HA   GLN  94           HA       GLN  94   5.040   8.277  -3.209
  732    HB2  GLN  94           HB2      GLN  94   7.970   7.730  -2.672
  733    HB3  GLN  94           HB1      GLN  94   6.771   6.516  -3.095
  734    HG2  GLN  94           HG2      GLN  94   6.446   7.571  -5.261
  735    HG3  GLN  94           HG1      GLN  94   7.613   8.819  -4.838
  736   HE21  GLN  94          HE21      GLN  94   7.645   6.915  -7.038
  737   HE22  GLN  94          HE22      GLN  94   9.117   6.022  -6.880
  738    H    GLU  95           H        GLU  95   3.827   7.617  -1.582
  739    HA   GLU  95           HA       GLU  95   5.024   7.539   1.105
  740    HB2  GLU  95           HB2      GLU  95   2.128   7.873   0.304
  741    HB3  GLU  95           HB1      GLU  95   2.694   7.706   1.959
  742    HG2  GLU  95           HG2      GLU  95   3.281   9.956   0.052
  743    HG3  GLU  95           HG1      GLU  95   2.283  10.017   1.504
  744    H    VAL  96           H        VAL  96   5.348   5.595   1.930
  745    HA   VAL  96           HA       VAL  96   3.905   3.337   0.709
  746    HB   VAL  96           HB       VAL  96   6.671   3.269   1.922
  747   HG11  VAL  96          HG11      VAL  96   5.612   1.140   2.123
  748   HG12  VAL  96          HG12      VAL  96   6.757   1.042   0.784
  749   HG13  VAL  96          HG13      VAL  96   5.034   1.208   0.459
  750   HG21  VAL  96          HG21      VAL  96   6.722   4.571  -0.115
  751   HG22  VAL  96          HG22      VAL  96   5.831   3.318  -0.977
  752   HG23  VAL  96          HG23      VAL  96   7.467   2.999  -0.399
  753    H    THR  97           H        THR  97   2.372   2.740   2.087
  754    HA   THR  97           HA       THR  97   2.968   2.664   4.945
  755    HB   THR  97           HB       THR  97   0.344   2.198   3.515
  756    HG1  THR  97           HG1      THR  97  -0.081   4.326   4.570
  757   HG21  THR  97          HG21      THR  97   0.385   1.046   5.646
  758   HG22  THR  97          HG22      THR  97  -0.637   2.478   5.775
  759   HG23  THR  97          HG23      THR  97   0.990   2.494   6.451
  760    H    ARG  98           H        ARG  98   3.738   0.854   5.779
  761    HA   ARG  98           HA       ARG  98   3.504  -1.638   4.293
  762    HB2  ARG  98           HB2      ARG  98   5.075  -0.965   6.786
  763    HB3  ARG  98           HB1      ARG  98   5.137  -2.503   5.938
  764    HG2  ARG  98           HG2      ARG  98   5.975  -1.302   3.933
  765    HG3  ARG  98           HG1      ARG  98   6.024   0.175   4.893
  766    HD2  ARG  98           HD2      ARG  98   7.634  -0.783   6.389
  767    HD3  ARG  98           HD1      ARG  98   7.489  -2.355   5.613
  768    HE   ARG  98           HE       ARG  98   8.456  -1.253   3.595
  769   HH11  ARG  98          HH11      ARG  98   9.009   0.148   6.761
  770   HH12  ARG  98          HH12      ARG  98  10.557   0.804   6.335
  771   HH21  ARG  98          HH21      ARG  98  10.498  -0.382   3.042
  772   HH22  ARG  98          HH22      ARG  98  11.401   0.502   4.232
  773    H    PHE  99           H        PHE  99   2.472  -3.444   4.994
  774    HA   PHE  99           HA       PHE  99   1.290  -3.582   7.621
  775    HB2  PHE  99           HB2      PHE  99  -1.027  -3.798   6.816
  776    HB3  PHE  99           HB1      PHE  99  -0.369  -2.206   6.464
  777    HD1  PHE  99           HD1      PHE  99   0.569  -1.845   4.078
  778    HD2  PHE  99           HD2      PHE  99  -2.038  -5.034   5.144
  779    HE1  PHE  99           HE1      PHE  99  -0.071  -2.107   1.718
  780    HE2  PHE  99           HE2      PHE  99  -2.680  -5.303   2.785
  781    HZ   PHE  99           HZ       PHE  99  -1.694  -3.839   1.070
  782    H    ASP 100           H        ASP 100  -0.315  -5.621   7.527
  783    HA   ASP 100           HA       ASP 100   0.787  -7.720   5.823
  784    HB2  ASP 100           HB2      ASP 100   1.182  -9.231   7.682
  785    HB3  ASP 100           HB1      ASP 100   2.108  -7.757   7.946
  786    H    PHE 101           H        PHE 101  -0.596  -9.678   5.860
  787    HA   PHE 101           HA       PHE 101  -3.196  -9.437   7.058
  788    HB2  PHE 101           HB2      PHE 101  -4.388  -9.552   4.828
  789    HB3  PHE 101           HB1      PHE 101  -3.685  -7.998   5.251
  790    HD1  PHE 101           HD1      PHE 101  -3.355 -10.954   3.086
  791    HD2  PHE 101           HD2      PHE 101  -1.933  -7.042   3.962
  792    HE1  PHE 101           HE1      PHE 101  -2.168 -10.903   0.932
  793    HE2  PHE 101           HE2      PHE 101  -0.745  -6.988   1.812
  794    HZ   PHE 101           HZ       PHE 101  -0.865  -8.920   0.292
  795    H    THR 102           H        THR 102  -4.575 -11.251   6.671
  796    HA   THR 102           HA       THR 102  -5.120 -13.423   6.368
  797    HB   THR 102           HB       THR 102  -2.780 -13.731   4.490
  798    HG1  THR 102           HG1      THR 102  -3.909 -12.676   2.956
  799   HG21  THR 102          HG21      THR 102  -4.312 -15.271   3.334
  800   HG22  THR 102          HG22      THR 102  -5.542 -14.959   4.559
  801   HG23  THR 102          HG23      THR 102  -4.037 -15.763   5.004
  802    H    THR 103           H        THR 103  -2.805 -12.415   8.152
  803    HA   THR 103           HA       THR 103  -1.017 -14.576   8.512
  804    HB   THR 103           HB       THR 103  -1.810 -12.408  10.470
  805    HG1  THR 103           HG1      THR 103  -0.796 -11.234   9.012
  806   HG21  THR 103          HG21      THR 103   0.319 -12.869  11.566
  807   HG22  THR 103          HG22      THR 103   0.645 -14.166  10.419
  808   HG23  THR 103          HG23      THR 103  -0.695 -14.311  11.556
  809    H    THR 104           H        THR 104  -1.610 -16.564   9.174
  810    HA   THR 104           HA       THR 104  -3.821 -17.002  10.949
  811    HB   THR 104           HB       THR 104  -3.032 -18.719   9.284
  812    HG1  THR 104           HG1      THR 104  -4.262 -19.728  10.712
  813   HG21  THR 104          HG21      THR 104  -1.135 -20.144   9.897
  814   HG22  THR 104          HG22      THR 104  -0.786 -19.089  11.267
  815   HG23  THR 104          HG23      THR 104  -0.623 -18.479   9.621
  816    H    SER 105           H        SER 105  -3.532 -18.043  13.096
  817    HA   SER 105           HA       SER 105  -2.849 -17.859  15.257
  818    HB2  SER 105           HB2      SER 105  -0.055 -17.530  14.136
  819    HB3  SER 105           HB1      SER 105  -0.497 -18.097  15.744
  820    HG   SER 105           HG       SER 105  -1.667 -19.820  14.471
  821    H    THR 106           H        THR 106  -4.033 -15.793  15.040
  822    HA   THR 106           HA       THR 106  -2.786 -13.347  14.486
  823    HB   THR 106           HB       THR 106  -4.781 -12.418  15.844
  824    HG1  THR 106           HG1      THR 106  -5.018 -14.650  16.837
  825   HG21  THR 106          HG21      THR 106  -4.705 -12.493  13.400
  826   HG22  THR 106          HG22      THR 106  -6.320 -12.882  13.994
  827   HG23  THR 106          HG23      THR 106  -5.255 -14.170  13.429
  828    H    SER 107           H        SER 107  -0.877 -13.177  15.612
  829    HA   SER 107           HA       SER 107  -0.832 -13.273  18.486
  830    HB2  SER 107           HB2      SER 107   1.266 -12.341  16.511
  831    HB3  SER 107           HB1      SER 107   1.529 -12.634  18.231
  832    HG   SER 107           HG       SER 107   0.354 -14.757  16.975
  833    H    THR 108           H        THR 108  -0.774 -10.801  15.969
  834    HA   THR 108           HA       THR 108  -2.242  -8.946  17.386
  835    HB   THR 108           HB       THR 108  -0.354  -8.724  18.924
  836    HG1  THR 108           HG1      THR 108  -1.004  -6.722  18.966
  837   HG21  THR 108          HG21      THR 108   1.244  -7.875  16.505
  838   HG22  THR 108          HG22      THR 108   1.478  -9.356  17.434
  839   HG23  THR 108          HG23      THR 108   1.788  -7.788  18.180
  840    HA   PRO 109           HA       PRO 109  -2.038  -7.430  13.173
  841    HB2  PRO 109           HB2      PRO 109  -4.066  -5.666  13.383
  842    HB3  PRO 109           HB1      PRO 109  -4.343  -7.406  13.262
  843    HG2  PRO 109           HG2      PRO 109  -4.354  -5.650  15.685
  844    HG3  PRO 109           HG1      PRO 109  -5.470  -6.956  15.242
  845    HD2  PRO 109           HD2      PRO 109  -3.430  -7.272  17.018
  846    HD3  PRO 109           HD1      PRO 109  -4.061  -8.591  16.019
  847    H    GLY 110           H        GLY 110  -1.363  -5.795  16.089
  848    HA2  GLY 110           HA2      GLY 110   0.601  -4.189  15.369
  849    HA3  GLY 110           HA1      GLY 110  -0.759  -3.268  14.750
  850    H    SER 111           H        SER 111  -0.255  -1.553  16.142
  851    HA   SER 111           HA       SER 111   0.108  -1.838  18.931
  852    HB2  SER 111           HB2      SER 111  -0.749   0.621  17.391
  853    HB3  SER 111           HB1      SER 111  -0.010   0.586  18.992
  854    HG   SER 111           HG       SER 111   1.565  -0.782  17.359
  855    H    ARG 112           H        ARG 112  -2.690  -1.759  16.958
  856    HA   ARG 112           HA       ARG 112  -4.575  -0.776  18.821
  857    HB2  ARG 112           HB2      ARG 112  -4.881  -2.616  16.450
  858    HB3  ARG 112           HB1      ARG 112  -6.237  -2.006  17.385
  859    HG2  ARG 112           HG2      ARG 112  -5.628   0.280  16.795
  860    HG3  ARG 112           HG1      ARG 112  -4.253  -0.324  15.870
  861    HD2  ARG 112           HD2      ARG 112  -7.140  -1.002  15.326
  862    HD3  ARG 112           HD1      ARG 112  -6.210   0.217  14.460
  863    HE   ARG 112           HE       ARG 112  -4.707  -1.678  13.798
  864   HH11  ARG 112          HH11      ARG 112  -8.060  -2.270  14.635
  865   HH12  ARG 112          HH12      ARG 112  -8.196  -3.662  13.608
  866   HH21  ARG 112          HH21      ARG 112  -4.891  -3.503  12.452
  867   HH22  ARG 112          HH22      ARG 112  -6.395  -4.359  12.361
  868    H    SER 113           H        SER 113  -2.857  -3.714  18.695
  869    HA   SER 113           HA       SER 113  -4.669  -4.864  20.708
  870    HB2  SER 113           HB2      SER 113  -4.752  -6.088  18.527
  871    HB3  SER 113           HB1      SER 113  -3.028  -6.415  18.693
  872    HG   SER 113           HG       SER 113  -4.386  -8.138  19.439
  873    H    HIS 114           H        HIS 114  -3.494  -4.086  22.449
  874    HA   HIS 114           HA       HIS 114  -0.875  -5.356  22.810
  875    HB2  HIS 114           HB2      HIS 114  -0.017  -3.331  23.933
  876    HB3  HIS 114           HB1      HIS 114  -0.395  -3.050  22.242
  877    HD1  HIS 114           HD1      HIS 114  -2.067  -1.221  21.713
  878    HD2  HIS 114           HD2      HIS 114  -1.817  -2.077  25.777
  879    HE1  HIS 114           HE1      HIS 114  -3.362   0.595  22.871
  880    HE2  HIS 114           HE2      HIS 114  -3.062   0.143  25.332
  881    H    HIS 115           H        HIS 115  -3.634  -5.947  23.746
  882    HA   HIS 115           HA       HIS 115  -3.137  -5.829  26.646
  883    HB2  HIS 115           HB2      HIS 115  -5.657  -6.412  25.081
  884    HB3  HIS 115           HB1      HIS 115  -5.517  -6.716  26.807
  885    HD1  HIS 115           HD1      HIS 115  -5.187  -4.567  28.347
  886    HD2  HIS 115           HD2      HIS 115  -6.224  -3.818  24.390
  887    HE1  HIS 115           HE1      HIS 115  -5.985  -2.185  28.294
  888    HE2  HIS 115           HE2      HIS 115  -6.774  -1.816  25.931
  889    H    HIS 116           H        HIS 116  -4.531  -8.138  24.316
  890    HA   HIS 116           HA       HIS 116  -4.126 -10.321  23.893
  891    HB2  HIS 116           HB2      HIS 116  -1.685  -9.839  25.592
  892    HB3  HIS 116           HB1      HIS 116  -2.047 -11.399  24.861
  893    HD1  HIS 116           HD1      HIS 116  -0.592  -8.108  24.137
  894    HD2  HIS 116           HD2      HIS 116  -1.977 -11.378  21.990
  895    HE1  HIS 116           HE1      HIS 116   0.286  -7.802  21.804
  896    HE2  HIS 116           HE2      HIS 116  -0.407  -9.894  20.582
  897    H    HIS 117           H        HIS 117  -4.458 -12.388  24.743
  898    HA   HIS 117           HA       HIS 117  -5.939 -12.342  27.238
  899    HB2  HIS 117           HB2      HIS 117  -5.581 -14.507  25.153
  900    HB3  HIS 117           HB1      HIS 117  -6.574 -14.676  26.592
  901    HD1  HIS 117           HD1      HIS 117  -8.966 -14.343  26.107
  902    HD2  HIS 117           HD2      HIS 117  -6.558 -12.047  23.611
  903    HE1  HIS 117           HE1      HIS 117 -10.545 -13.140  24.560
  904    HE2  HIS 117           HE2      HIS 117  -9.060 -11.860  22.980
  905    H    HIS 118           H        HIS 118  -4.194 -12.122  28.701
  906    HA   HIS 118           HA       HIS 118  -2.139 -14.120  28.857
  907    HB2  HIS 118           HB2      HIS 118  -1.901 -11.771  29.719
  908    HB3  HIS 118           HB1      HIS 118  -3.024 -12.182  31.008
  909    HD1  HIS 118           HD1      HIS 118  -1.885 -12.772  33.115
  910    HD2  HIS 118           HD2      HIS 118   0.428 -13.721  29.792
  911    HE1  HIS 118           HE1      HIS 118   0.285 -13.662  34.028
  912    HE2  HIS 118           HE2      HIS 118   1.715 -14.100  32.004
  913    H    HIS 119           H        HIS 119  -5.344 -13.712  30.033
  914    HA   HIS 119           HA       HIS 119  -5.243 -16.420  31.137
  915    HB2  HIS 119           HB2      HIS 119  -5.170 -14.873  33.060
  916    HB3  HIS 119           HB1      HIS 119  -6.626 -14.077  32.476
  917    HD1  HIS 119           HD1      HIS 119  -8.842 -15.113  33.087
  918    HD2  HIS 119           HD2      HIS 119  -5.607 -17.537  34.060
  919    HE1  HIS 119           HE1      HIS 119  -9.791 -16.981  34.480
  920    HE2  HIS 119           HE2      HIS 119  -7.798 -18.367  35.160