*HEADER    BIOSYNTHETIC PROTEIN                    25-FEB-18   6CIV              
*TITLE     LACTAM CYCLISED MIMETIC OF A FRAGMENT OF P21                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: P21;                                                       
*COMPND   3 CHAIN: C;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PIP-BOX MOTIF, P21, CONSTRAINED, PEPTIDOMIMETIC, BIOSYNTHETIC PROTEIN 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.L.WEGENER                                                           
*REVDAT   1   04-JUL-18 6CIV    0                                                
# Restraints file 1: ACR2_scalar_restraints.tbl
assign (resid 147 and name C ) (resid 148 and name N ) 
    (resid 148 and name CA) (resid 148 and name C )  6.372   2
    
assign (resid 148 and name C ) (resid 149 and name N ) 
    (resid 149 and name CA) (resid 149 and name C )  5.790   2
    
assign (resid 149 and name C ) (resid 150 and name N ) 
    (resid 150 and name CA) (resid 150 and name C )  7.890   2
    
assign (resid 150 and name C ) (resid 151 and name N ) 
    (resid 151 and name CA) (resid 151 and name C )  6.726   2
    
assign (resid 151 and name C ) (resid 152 and name N ) 
    (resid 152 and name CA) (resid 152 and name C )  7.284   2
    
# Restraints file 2: ACR2_unambig.tbl
Linker
assign (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  145 and name  HD1) 2.105 0.554 0.554 weight 1.000 ! spec=Expt_29, no=50, id=0, vol=3.113779e-03
assign (segid "   C" and resid  149 and name  HB2) (segid "   C" and resid  145 and name  HD1) 3.064 1.173 1.173 weight 1.000 ! spec=Expt_29, no=162, id=67, vol=3.551025e-04
assign (segid "   C" and resid  149 and name  HB1) (segid "   C" and resid  145 and name  HD1) 2.888 1.043 1.043 weight 1.000 ! spec=Expt_29, no=163, id=68, vol=4.636471e-04

Intraresidual
assign (segid "   C" and resid  152 and name   HA) (segid "   C" and resid  152 and name   HN) 2.821 0.995 0.995 weight 1.000 ! spec=Expt_29, no=53, id=2, vol=4.302774e-04
assign (segid "   C" and resid  144 and name HE22) (segid "   C" and resid  144 and name HE21) 1.489 0.277 0.277 weight 1.000 ! spec=Expt_29, no=56, id=3, vol=2.252457e-02
assign (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  150 and name  HD1) 2.567 0.823 0.823 weight 1.000 ! spec=Expt_29, no=57, id=4, vol=9.164962e-04
    or (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  150 and name  HD2)
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name  HD1) 2.228 0.621 0.621 weight 1.000 ! spec=Expt_29, no=58, id=5, vol=2.118430e-03
    or (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name  HD2)
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name  HE1) 2.945 1.084 3.055 weight 1.000 ! spec=Expt_29, no=59, id=6, vol=3.995583e-04
    or (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name  HE2)
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name   HN) 2.647 0.876 0.876 weight 1.000 ! spec=Expt_29, no=61, id=7, vol=8.321024e-04
assign (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  150 and name   HN) 3.126 1.222 1.222 weight 1.000 ! spec=Expt_29, no=62, id=8, vol=3.251855e-04
assign (segid "   C" and resid  152 and name  HB2) (segid "   C" and resid  152 and name   HN) 3.689 1.701 1.701 weight 1.000 ! spec=Expt_29, no=68, id=9, vol=1.155741e-04
assign (segid "   C" and resid  152 and name  HB1) (segid "   C" and resid  152 and name   HN) 3.384 1.432 1.432 weight 1.000 ! spec=Expt_29, no=69, id=10, vol=1.718858e-04
assign (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name   HN) 2.827 0.999 0.999 weight 1.000 ! spec=Expt_29, no=71, id=11, vol=5.234028e-04
assign (segid "   C" and resid  145 and name  HG2) (segid "   C" and resid  145 and name   HN) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_29, no=72, id=12, vol=5.572680e-04
assign (segid "   C" and resid  145 and name  HG1) (segid "   C" and resid  145 and name   HN) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_29, no=73, id=13, vol=5.572680e-04
assign (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name  HD1) 2.882 1.038 1.038 weight 1.000 ! spec=Expt_29, no=75, id=15, vol=4.817269e-04
assign (segid "   C" and resid  145 and name  HG2) (segid "   C" and resid  145 and name  HD1) 2.249 0.632 0.632 weight 1.000 ! spec=Expt_29, no=76, id=16, vol=2.095727e-03
assign (segid "   C" and resid  145 and name  HG1) (segid "   C" and resid  145 and name  HD1) 3.129 1.223 1.223 weight 1.000 ! spec=Expt_29, no=77, id=17, vol=2.850559e-04
assign (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name  HG1) 2.973 1.105 1.105 weight 1.000 ! spec=Expt_29, no=81, id=21, vol=3.409168e-04
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name  HB2) 1.865 0.435 0.435 weight 1.000 ! spec=Expt_29, no=85, id=23, vol=5.389138e-03
assign (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  143 and name  HB1) 2.706 0.916 0.916 weight 1.000 ! spec=Expt_29, no=89, id=25, vol=7.794725e-04
assign (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  143 and name  HB2) 2.929 1.073 1.073 weight 1.000 ! spec=Expt_29, no=90, id=26, vol=4.573789e-04
assign (segid "   C" and resid  143 and name  HB1) (segid "   C" and resid  143 and name   HN) 2.679 0.897 0.897 weight 1.000 ! spec=Expt_29, no=91, id=27, vol=7.512160e-04
assign (segid "   C" and resid  144 and name  HG2) (segid "   C" and resid  144 and name   HN) 3.634 1.651 1.651 weight 1.000 ! spec=Expt_29, no=112, id=31, vol=8.496047e-05
assign (segid "   C" and resid  144 and name  HB2) (segid "   C" and resid  144 and name   HN) 3.202 1.281 1.281 weight 1.000 ! spec=Expt_29, no=115, id=33, vol=2.497173e-04
assign (segid "   C" and resid  144 and name  HB1) (segid "   C" and resid  144 and name   HN) 2.914 1.061 1.061 weight 1.000 ! spec=Expt_29, no=116, id=34, vol=4.256697e-04
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  150 and name   HA) 4.467 2.494 2.494 weight 1.000 ! spec=Expt_29, no=125, id=35, vol=1.033464e-04
assign (segid "   C" and resid  148 and name   HB) (segid "   C" and resid  148 and name   HN) 2.742 0.939 0.939 weight 1.000 ! spec=Expt_29, no=126, id=36, vol=6.368681e-04
assign (segid "   C" and resid  148 and name HG21) (segid "   C" and resid  148 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=Expt_29, no=127, id=37, vol=6.706406e-04
    or (segid "   C" and resid  148 and name HG22) (segid "   C" and resid  148 and name   HN)
    or (segid "   C" and resid  148 and name HG23) (segid "   C" and resid  148 and name   HN)
assign (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name  HG2) 2.919 1.065 1.065 weight 1.000 ! spec=Expt_29, no=128, id=38, vol=3.974322e-04
assign (segid "   C" and resid  151 and name  HB1) (segid "   C" and resid  151 and name   HN) 3.063 1.172 1.172 weight 1.000 ! spec=Expt_29, no=129, id=39, vol=3.452060e-04
assign (segid "   C" and resid  151 and name  HB2) (segid "   C" and resid  151 and name   HN) 2.674 0.894 0.894 weight 1.000 ! spec=Expt_29, no=130, id=40, vol=7.805413e-04
assign (segid "   C" and resid  151 and name  HE1) (segid "   C" and resid  151 and name  HD1) 1.764 0.389 0.389 weight 1.000 ! spec=Expt_29, no=131, id=41, vol=6.587621e-03
    or (segid "   C" and resid  151 and name  HE1) (segid "   C" and resid  151 and name  HD2)
    or (segid "   C" and resid  151 and name  HE2) (segid "   C" and resid  151 and name  HD1)
    or (segid "   C" and resid  151 and name  HE2) (segid "   C" and resid  151 and name  HD2)
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  149 and name   HN) 2.677 0.896 0.896 weight 1.000 ! spec=Expt_29, no=134, id=43, vol=7.582373e-04
assign (segid "   C" and resid  149 and name  HB2) (segid "   C" and resid  149 and name   HN) 2.652 0.879 0.879 weight 1.000 ! spec=Expt_29, no=135, id=44, vol=7.073544e-04
assign (segid "   C" and resid  149 and name  HB1) (segid "   C" and resid  149 and name   HN) 2.565 0.823 0.823 weight 1.000 ! spec=Expt_29, no=136, id=45, vol=9.103551e-04
assign (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  149 and name   HN) 2.450 0.750 0.750 weight 1.000 ! spec=Expt_29, no=137, id=46, vol=1.205105e-03
assign (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  149 and name   HN) 2.780 0.966 0.966 weight 1.000 ! spec=Expt_29, no=138, id=47, vol=5.646959e-04
assign (segid "   C" and resid  147 and name   HA) (segid "   C" and resid  147 and name   HN) 3.110 1.209 1.209 weight 1.000 ! spec=Expt_29, no=140, id=49, vol=2.860039e-04
assign (segid "   C" and resid  146 and name  HB2) (segid "   C" and resid  146 and name   HN) 3.309 1.368 1.368 weight 1.000 ! spec=Expt_29, no=147, id=53, vol=2.161969e-04
assign (segid "   C" and resid  146 and name  HB1) (segid "   C" and resid  146 and name   HN) 3.079 1.185 1.185 weight 1.000 ! spec=Expt_29, no=149, id=55, vol=2.655851e-04

Sequential
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  150 and name   HN) 2.530 0.800 0.800 weight 1.000 ! spec=Expt_29, no=79, id=19, vol=1.134256e-03
assign (segid "   C" and resid  146 and name   HA) (segid "   C" and resid  147 and name   HN) 2.662 0.886 0.886 weight 1.000 ! spec=Expt_29, no=139, id=48, vol=7.571013e-04
assign (segid "   C" and resid  144 and name   HA) (segid "   C" and resid  145 and name   HN) 2.123 0.564 0.564 weight 1.000 ! spec=Expt_29, no=146, id=52, vol=2.779004e-03
assign (segid "   C" and resid  146 and name  HB2) (segid "   C" and resid  147 and name   HN) 3.514 1.543 1.543 weight 1.000 ! spec=Expt_29, no=148, id=54, vol=1.360962e-04
assign (segid "   C" and resid  146 and name  HB1) (segid "   C" and resid  147 and name   HN) 3.664 1.679 1.679 weight 1.000 ! spec=Expt_29, no=150, id=56, vol=8.786049e-05
assign (segid "   C" and resid  151 and name   HA) (segid "   C" and resid  152 and name   HN) 2.642 0.873 0.873 weight 1.000 ! spec=Expt_29, no=155, id=60, vol=8.565343e-04
assign (segid "   C" and resid  147 and name   HA) (segid "   C" and resid  148 and name   HN) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_29, no=156, id=61, vol=4.876716e-04
assign (segid "   C" and resid  151 and name  HB1) (segid "   C" and resid  152 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=Expt_29, no=157, id=62, vol=2.506358e-04
assign (segid "   C" and resid  151 and name  HB2) (segid "   C" and resid  152 and name   HN) 3.451 1.489 1.489 weight 1.000 ! spec=Expt_29, no=158, id=63, vol=1.577152e-04
assign (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  151 and name   HN) 3.222 1.298 1.298 weight 1.000 ! spec=Expt_29, no=159, id=64, vol=2.570984e-04
assign (segid "   C" and resid  150 and name  HB1) (segid "   C" and resid  151 and name   HN) 3.136 1.229 1.229 weight 1.000 ! spec=Expt_29, no=160, id=65, vol=2.790593e-04

Medium
assign (segid "   C" and resid  146 and name  HB1) (segid "   C" and resid  148 and name   HN) 3.142 1.234 1.234 weight 1.000 ! spec=Expt_29, no=152, id=58, vol=2.272949e-04
assign (segid "   C" and resid  146 and name  HB1) (segid "   C" and resid  149 and name   HN) 3.346 1.399 1.399 weight 1.000 ! spec=Expt_29, no=153, id=59, vol=1.903189e-04
assign (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  150 and name   HN) 2.948 1.086 1.086 weight 1.000 ! spec=Expt_29, no=164, id=69, vol=4.739641e-04
assign (segid "   C" and resid  149 and name  HB1) (segid "   C" and resid  150 and name   HN) 3.295 1.357 1.357 weight 1.000 ! spec=Expt_29, no=166, id=71, vol=2.648749e-04
assign (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  150 and name   HN) 3.184 1.267 1.267 weight 1.000 ! spec=Expt_29, no=167, id=72, vol=2.529226e-04
assign (segid "   C" and resid  148 and name HG21) (segid "   C" and resid  149 and name   HN) 3.557 1.581 1.581 weight 1.000 ! spec=Expt_29, no=168, id=73, vol=1.255484e-04
    or (segid "   C" and resid  148 and name HG22) (segid "   C" and resid  149 and name   HN)
    or (segid "   C" and resid  148 and name HG23) (segid "   C" and resid  149 and name   HN)
assign (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  145 and name  HD1) 2.483 0.771 0.771 weight 1.000 ! spec=Expt_29, no=169, id=74, vol=1.106910e-03
assign (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  150 and name  HE1) 3.403 1.447 1.447 weight 1.000 ! spec=Expt_29, no=170, id=75, vol=1.521922e-04
    or (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  150 and name  HE2)
assign (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  150 and name  HE1) 3.587 1.609 1.609 weight 1.000 ! spec=Expt_29, no=171, id=76, vol=1.296833e-04
    or (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  150 and name  HE2)
assign (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  150 and name  HD1) 3.572 1.595 1.595 weight 1.000 ! spec=Expt_29, no=172, id=77, vol=1.238400e-04
    or (segid "   C" and resid  149 and name  HG2) (segid "   C" and resid  150 and name  HD2)
assign (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  150 and name  HE1) 3.482 1.516 1.516 weight 1.000 ! spec=Expt_29, no=173, id=78, vol=1.330173e-04
    or (segid "   C" and resid  150 and name  HB2) (segid "   C" and resid  150 and name  HE2)
assign (segid "   C" and resid  151 and name  HB1) (segid "   C" and resid  151 and name  HD1) 2.852 1.017 1.017 weight 1.000 ! spec=Expt_29, no=174, id=79, vol=5.738145e-04
    or (segid "   C" and resid  151 and name  HB1) (segid "   C" and resid  151 and name  HD2)
assign (segid "   C" and resid  151 and name  HB2) (segid "   C" and resid  151 and name  HD1) 2.869 1.029 1.029 weight 1.000 ! spec=Expt_29, no=175, id=80, vol=5.497331e-04
    or (segid "   C" and resid  151 and name  HB2) (segid "   C" and resid  151 and name  HD2)
assign (segid "   C" and resid  149 and name   HN) (segid "   C" and resid  148 and name   HN) 2.792 0.975 0.975 weight 1.000 ! spec=Expt_29, no=178, id=81, vol=5.726132e-04
assign (segid "   C" and resid  150 and name   HN) (segid "   C" and resid  151 and name   HN) 2.669 0.890 0.890 weight 1.000 ! spec=Expt_29, no=179, id=82, vol=6.713382e-04
assign (segid "   C" and resid  148 and name   HN) (segid "   C" and resid  147 and name   HN) 3.350 1.402 1.402 weight 1.000 ! spec=Expt_29, no=182, id=85, vol=1.517719e-04
assign (segid "   C" and resid  145 and name  HD1) (segid "   C" and resid  146 and name   HN) 3.476 1.510 1.510 weight 1.000 ! spec=Expt_29, no=183, id=86, vol=1.443603e-04
assign (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  149 and name   HN) 2.505 0.784 0.784 weight 1.000 ! spec=Expt_29, no=188, id=90, vol=1.031336e-03
assign (segid "   C" and resid  149 and name  HB2) (segid "   C" and resid  150 and name   HN) 3.268 1.335 1.335 weight 1.000 ! spec=Expt_29, no=207, id=109, vol=2.037684e-04
assign (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  148 and name HG21) 2.616 0.856 0.856 weight 1.000 ! spec=Expt_29, no=216, id=117, vol=7.927493e-04
    or (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  148 and name HG22)
    or (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  148 and name HG23)
assign (segid "   C" and resid  148 and name   HB) (segid "   C" and resid  148 and name HG21) 2.538 0.805 0.805 weight 1.000 ! spec=Expt_29, no=217, id=118, vol=1.070491e-03
    or (segid "   C" and resid  148 and name   HB) (segid "   C" and resid  148 and name HG22)
    or (segid "   C" and resid  148 and name   HB) (segid "   C" and resid  148 and name HG23)
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  149 and name  HB1) 2.476 0.766 0.766 weight 1.000 ! spec=Expt_29, no=219, id=119, vol=1.302252e-03
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  149 and name  HB2) 2.537 0.805 0.805 weight 1.000 ! spec=Expt_29, no=220, id=120, vol=1.085374e-03
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  149 and name  HG1) 3.258 1.327 1.327 weight 1.000 ! spec=Expt_29, no=221, id=121, vol=1.944347e-04
assign (segid "   C" and resid  144 and name   HA) (segid "   C" and resid  144 and name  HB2) 3.190 1.272 1.272 weight 1.000 ! spec=Expt_29, no=225, id=124, vol=2.755107e-04
assign (segid "   C" and resid  149 and name   HA) (segid "   C" and resid  149 and name  HG2) 3.235 1.308 1.308 weight 1.000 ! spec=Expt_29, no=226, id=125, vol=2.305378e-04
assign (segid "   C" and resid  146 and name  HB2) (segid "   C" and resid  146 and name  HB1) 1.843 0.425 0.425 weight 1.000 ! spec=Expt_29, no=227, id=126, vol=6.375701e-03
assign (segid "   C" and resid  148 and name   HB) (segid "   C" and resid  148 and name   HA) 2.466 0.760 0.760 weight 1.000 ! spec=Expt_29, no=228, id=127, vol=9.825342e-04
assign (segid "   C" and resid  146 and name   HA) (segid "   C" and resid  146 and name  HB2) 3.261 1.329 1.329 weight 1.000 ! spec=Expt_29, no=230, id=129, vol=3.341649e-04
assign (segid "   C" and resid  146 and name   HA) (segid "   C" and resid  146 and name  HB1) 3.446 1.485 1.485 weight 1.000 ! spec=Expt_29, no=231, id=130, vol=2.133134e-04
assign (segid "   C" and resid  151 and name  HB2) (segid "   C" and resid  151 and name  HB1) 1.693 0.358 0.358 weight 1.000 ! spec=Expt_29, no=232, id=131, vol=1.125532e-02
assign (segid "   C" and resid  149 and name  HG1) (segid "   C" and resid  149 and name  HG2) 1.932 0.467 0.467 weight 1.000 ! spec=Expt_29, no=237, id=136, vol=5.800150e-03
assign (segid "   C" and resid  143 and name  HB1) (segid "   C" and resid  144 and name   HN) 3.507 1.538 1.538 weight 1.000 ! spec=Expt_29, no=243, id=142, vol=1.514962e-04
assign (segid "   C" and resid  143 and name  HB2) (segid "   C" and resid  144 and name   HN) 3.508 1.538 1.538 weight 1.000 ! spec=Expt_29, no=244, id=143, vol=1.600741e-04
# Restraints file 3: ACR2_ambig.tbl
assign (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  148 and name   HN) 2.433 0.740 0.740 weight 1.000 ! spec=Expt_29, no=52, id=1, vol=1.202981e-03
    or (segid "   C" and resid  146 and name  HB2) (segid "   C" and resid  148 and name   HN)


assign (segid "   C" and resid  145 and name  HB2) (segid "   C" and resid  145 and name   HN) 2.455 0.754 0.754 weight 1.000 ! spec=Expt_29, no=74, id=14, vol=1.233550e-03
    or (segid "   C" and resid  145 and name  HB1) (segid "   C" and resid  145 and name   HN)
assign (segid "   C" and resid  145 and name  HB1) (segid "   C" and resid  145 and name  HD1) 2.449 0.750 0.750 weight 1.000 ! spec=Expt_29, no=78, id=18, vol=1.301449e-03
    or (segid "   C" and resid  145 and name  HB2) (segid "   C" and resid  145 and name  HD1)
assign (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  143 and name  HG2) 3.497 1.529 1.529 weight 1.000 ! spec=Expt_29, no=98, id=30, vol=1.292782e-04
    or (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  143 and name  HG1)

assign (segid "   C" and resid  143 and name  HB2) (segid "   C" and resid  143 and name   HN) 2.548 0.811 0.811 weight 1.000 ! spec=Expt_29, no=92, id=28, vol=9.862478e-04
    or (segid "   C" and resid  142 and name  HB1) (segid "   C" and resid  143 and name   HN)

assign (segid "   C" and resid  143 and name  HG2) (segid "   C" and resid  143 and name   HN) 3.116 1.213 1.213 weight 1.000 ! spec=Expt_29, no=93, id=29, vol=2.844411e-04
    or (segid "   C" and resid  143 and name  HG1) (segid "   C" and resid  143 and name   HN)
    or (segid "   C" and resid  142 and name  HG1) (segid "   C" and resid  143 and name   HN)


assign (segid "   C" and resid  142 and name   HA) (segid "   C" and resid  143 and name   HN) 2.052 0.526 0.526 weight 1.000 ! spec=Expt_29, no=114, id=32, vol=3.846713e-03
    or (segid "   C" and resid  142 and name   HA) (segid "   C" and resid  142 and name   HN)
    or (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  143 and name   HN)
assign (segid "   C" and resid  143 and name   HA) (segid "   C" and resid  144 and name   HN) 2.331 0.679 0.679 weight 1.000 ! spec=Expt_29, no=142, id=50, vol=1.687954e-03
    or (segid "   C" and resid  144 and name   HA) (segid "   C" and resid  144 and name   HN)
assign (segid "   C" and resid  146 and name   HA) (segid "   C" and resid  146 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=Expt_29, no=145, id=51, vol=8.367767e-04
    or (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  146 and name   HN)
assign (segid "   C" and resid  146 and name  HB2) (segid "   C" and resid  149 and name   HN) 2.486 0.773 0.773 weight 1.000 ! spec=Expt_29, no=151, id=57, vol=1.100837e-03
    or (segid "   C" and resid  148 and name   HA) (segid "   C" and resid  149 and name   HN)
assign (segid "   C" and resid  147 and name  HB1) (segid "   C" and resid  148 and name   HN) 2.908 1.057 1.057 weight 1.000 ! spec=Expt_29, no=161, id=66, vol=4.130181e-04
    or (segid "   C" and resid  147 and name  HB2) (segid "   C" and resid  148 and name   HN)
assign (segid "   C" and resid  147 and name   HA) (segid "   C" and resid  147 and name  HB2) 2.915 1.062 1.062 weight 1.000 ! spec=Expt_29, no=222, id=122, vol=4.451159e-04
    or (segid "   C" and resid  147 and name   HA) (segid "   C" and resid  147 and name  HB1)
assign (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name  HB2) 2.753 0.947 0.947 weight 1.000 ! spec=Expt_29, no=223, id=123, vol=6.799274e-04
    or (segid "   C" and resid  145 and name   HA) (segid "   C" and resid  145 and name  HB1)
assign (segid "   C" and resid  144 and name  HG2) (segid "   C" and resid  144 and name  HB1) 2.623 0.860 0.860 weight 1.000 ! spec=Expt_29, no=235, id=134, vol=9.147500e-04
    or (segid "   C" and resid  144 and name  HG1) (segid "   C" and resid  144 and name  HB1)
assign (segid "   C" and resid  144 and name  HG1) (segid "   C" and resid  144 and name  HB2) 2.537 0.804 0.804 weight 1.000 ! spec=Expt_29, no=236, id=135, vol=1.118070e-03
    or (segid "   C" and resid  144 and name  HG2) (segid "   C" and resid  144 and name  HB2)
assign (segid "   C" and resid  145 and name  HG2) (segid "   C" and resid  145 and name  HB2) 2.194 0.601 0.601 weight 1.000 ! spec=Expt_29, no=240, id=139, vol=2.706644e-03
    or (segid "   C" and resid  145 and name  HG1) (segid "   C" and resid  145 and name  HB2)
    or (segid "   C" and resid  145 and name  HG1) (segid "   C" and resid  145 and name  HB1)
assign (segid "   C" and resid  147 and name  HB1) (segid "   C" and resid  147 and name   HN) 2.806 0.984 0.984 weight 1.000 ! spec=Expt_29, no=241, id=140, vol=5.567745e-04
    or (segid "   C" and resid  147 and name  HB2) (segid "   C" and resid  147 and name   HN)
assign (segid "   C" and resid  145 and name  HB1) (segid "   C" and resid  146 and name   HN) 3.652 1.668 1.668 weight 1.000 ! spec=Expt_29, no=242, id=141, vol=1.335702e-04
    or (segid "   C" and resid  145 and name  HB2) (segid "   C" and resid  146 and name   HN)
# Restraints file 4: ACR2_hbond.tbl
assign (resid 149 and name HN ) 
((resid 146 and name O )) 1.80 0.00 0.50
assign (resid 149 and name N )
((resid 146 and name O )) 2.80 0.00 0.50

assign (resid 148 and name HN ) 
((resid 148 and name OG1 )) 1.80 0.00 0.50
assign (resid 149 and name N )
((resid 148 and name OG1 )) 2.80 0.00 0.50

assign (resid 150 and name HN ) 
((resid 147 and name O )) 1.80 0.00 0.50
assign (resid 150 and name N )
((resid 147 and name O )) 2.80 0.00 0.50
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY 139           HT1      GLY 139  -8.384   7.261   0.442
    2    H2   GLY 139           HT2      GLY 139  -9.456   8.441  -0.115
    3    H3   GLY 139           HT3      GLY 139  -8.120   8.004  -1.054
    4    HA2  GLY 139           HA1      GLY 139 -10.142   7.021  -1.935
    5    HA3  GLY 139           HA2      GLY 139  -9.009   5.796  -1.380
    6    H    ARG 140           HN       ARG 140 -11.781   5.348  -1.691
    7    HA   ARG 140           HA       ARG 140 -12.865   5.393   1.029
    8    HB2  ARG 140           HB2      ARG 140 -14.986   4.791   0.044
    9    HB3  ARG 140           HB1      ARG 140 -14.297   6.130  -0.862
   10    HG2  ARG 140           HG2      ARG 140 -13.541   4.563  -2.588
   11    HG3  ARG 140           HG1      ARG 140 -14.268   3.234  -1.683
   12    HD2  ARG 140           HD2      ARG 140 -15.709   5.596  -2.879
   13    HD3  ARG 140           HD1      ARG 140 -15.744   3.937  -3.470
   14    HE   ARG 140           HE       ARG 140 -16.612   4.110  -0.758
   15   HH11  ARG 140          HH11      ARG 140 -17.640   4.581  -4.068
   16   HH12  ARG 140          HH12      ARG 140 -19.322   4.376  -3.711
   17   HH21  ARG 140          HH21      ARG 140 -18.827   3.840  -0.283
   18   HH22  ARG 140          HH22      ARG 140 -19.997   3.950  -1.559
   19    H    LYS 141           HN       LYS 141 -11.111   3.351  -0.955
   20    HA   LYS 141           HA       LYS 141 -11.797   1.074   0.765
   21    HB2  LYS 141           HB2      LYS 141 -12.840   0.702  -1.426
   22    HB3  LYS 141           HB1      LYS 141 -11.287   0.940  -2.216
   23    HG2  LYS 141           HG2      LYS 141 -10.405  -1.040  -1.092
   24    HG3  LYS 141           HG1      LYS 141 -11.957  -1.276  -0.289
   25    HD2  LYS 141           HD2      LYS 141 -11.511  -1.308  -3.273
   26    HD3  LYS 141           HD1      LYS 141 -11.682  -2.738  -2.254
   27    HE2  LYS 141           HE2      LYS 141 -13.932  -1.936  -1.596
   28    HE3  LYS 141           HE1      LYS 141 -13.755  -0.601  -2.730
   29    HZ1  LYS 141           HZ1      LYS 141 -13.546  -2.221  -4.524
   30    HZ2  LYS 141           HZ2      LYS 141 -15.016  -2.390  -3.710
   31    HZ3  LYS 141           HZ3      LYS 141 -13.761  -3.487  -3.424
   32    H    ARG 142           HN       ARG 142 -10.069   0.673   1.943
   33    HA   ARG 142           HA       ARG 142  -7.482   0.460   0.625
   34    HB2  ARG 142           HB2      ARG 142  -6.361   1.735   2.421
   35    HB3  ARG 142           HB1      ARG 142  -7.453   2.729   1.468
   36    HG2  ARG 142           HG2      ARG 142  -9.147   2.517   3.243
   37    HG3  ARG 142           HG1      ARG 142  -7.990   1.599   4.206
   38    HD2  ARG 142           HD2      ARG 142  -7.575   4.419   3.223
   39    HD3  ARG 142           HD1      ARG 142  -8.111   3.987   4.843
   40    HE   ARG 142           HE       ARG 142  -5.718   2.636   4.340
   41   HH11  ARG 142          HH11      ARG 142  -6.853   5.926   4.733
   42   HH12  ARG 142          HH12      ARG 142  -5.346   6.506   5.371
   43   HH21  ARG 142          HH21      ARG 142  -3.734   3.400   5.188
   44   HH22  ARG 142          HH22      ARG 142  -3.577   5.067   5.638
   45    H    ARG 143           HN       ARG 143  -6.272  -1.155   1.387
   46    HA   ARG 143           HA       ARG 143  -6.781  -2.236   4.045
   47    HB2  ARG 143           HB2      ARG 143  -8.185  -3.555   2.445
   48    HB3  ARG 143           HB1      ARG 143  -6.717  -3.996   1.585
   49    HG2  ARG 143           HG2      ARG 143  -5.875  -5.097   3.609
   50    HG3  ARG 143           HG1      ARG 143  -7.376  -4.684   4.442
   51    HD2  ARG 143           HD2      ARG 143  -7.537  -6.949   3.681
   52    HD3  ARG 143           HD1      ARG 143  -8.617  -5.958   2.705
   53    HE   ARG 143           HE       ARG 143  -5.950  -6.812   1.779
   54   HH11  ARG 143          HH11      ARG 143  -9.366  -6.273   1.197
   55   HH12  ARG 143          HH12      ARG 143  -9.301  -6.834  -0.441
   56   HH21  ARG 143          HH21      ARG 143  -5.869  -7.543  -0.376
   57   HH22  ARG 143          HH22      ARG 143  -7.315  -7.556  -1.336
   58    H    GLN 144           HN       GLN 144  -4.938  -2.595   1.044
   59    HA   GLN 144           HA       GLN 144  -2.505  -2.787   2.686
   60    HB2  GLN 144           HB2      GLN 144  -1.451  -3.951   0.795
   61    HB3  GLN 144           HB1      GLN 144  -2.855  -4.820   1.392
   62    HG2  GLN 144           HG2      GLN 144  -4.182  -4.006  -0.460
   63    HG3  GLN 144           HG1      GLN 144  -2.819  -3.050  -1.039
   64   HE21  GLN 144          HE21      GLN 144  -2.736  -4.086  -3.007
   65   HE22  GLN 144          HE22      GLN 144  -2.188  -5.716  -3.184
   66    H    DAB 145           HN       DAB 145  -0.759  -1.527   2.138
   67    HA   DAB 145           HA       DAB 145  -1.441   0.790   0.478
   68    HB2  DAB 145           HB1      DAB 145  -0.986   1.469   2.694
   69    HB3  DAB 145           HB2      DAB 145   0.431   1.901   1.750
   70    HG2  DAB 145           HG1      DAB 145   0.234  -0.601   3.399
   71    HG3  DAB 145           HG2      DAB 145   0.895   0.919   3.986
   72    HD1  DAB 145           HD1      DAB 145   2.041  -0.504   1.679
   73    H    SER 146           HN       SER 146  -0.626  -1.609  -0.697
   74    HA   SER 146           HA       SER 146   0.700  -2.439  -2.326
   75    HB2  SER 146           HB2      SER 146   1.969  -1.049  -3.657
   76    HB3  SER 146           HB1      SER 146   0.965   0.153  -2.850
   77    HG   SER 146           HG       SER 146   2.649   0.557  -1.417
   78    H    MET 147           HN       MET 147   2.393  -3.808  -2.355
   79    HA   MET 147           HA       MET 147   3.895  -4.160   0.041
   80    HB2  MET 147           HB2      MET 147   4.234  -5.451  -2.673
   81    HB3  MET 147           HB1      MET 147   5.017  -5.981  -1.190
   82    HG2  MET 147           HG2      MET 147   2.067  -5.990  -1.772
   83    HG3  MET 147           HG1      MET 147   3.132  -7.391  -1.657
   84    HE1  MET 147           HE1      MET 147   0.787  -7.631   1.510
   85    HE2  MET 147           HE2      MET 147   1.320  -8.444   0.037
   86    HE3  MET 147           HE3      MET 147   0.351  -6.974  -0.068
   87    H    THR 148           HN       THR 148   4.185  -2.014  -2.459
   88    HA   THR 148           HA       THR 148   7.007  -2.119  -2.882
   89    HB   THR 148           HB       THR 148   5.623   0.402  -3.505
   90    HG1  THR 148           HG1      THR 148   4.029  -0.432  -4.621
   91   HG21  THR 148          HG21      THR 148   7.181  -1.573  -5.179
   92   HG22  THR 148          HG22      THR 148   7.848  -0.151  -4.376
   93   HG23  THR 148          HG23      THR 148   6.682   0.039  -5.687
   94    H    GLU 149           HN       GLU 149   4.928  -0.729  -0.555
   95    HA   GLU 149           HA       GLU 149   6.612   1.446   0.198
   96    HB2  GLU 149           HB2      GLU 149   5.148   1.795   2.008
   97    HB3  GLU 149           HB1      GLU 149   4.130   1.203   0.709
   98    HG2  GLU 149           HG2      GLU 149   4.134  -1.016   1.699
   99    HG3  GLU 149           HG1      GLU 149   5.173  -0.444   2.997
  100    H    PHE 150           HN       PHE 150   6.722  -1.902   0.714
  101    HA   PHE 150           HA       PHE 150   8.279  -1.754   3.158
  102    HB2  PHE 150           HB2      PHE 150   7.527  -4.090   1.389
  103    HB3  PHE 150           HB1      PHE 150   8.448  -4.236   2.881
  104    HD1  PHE 150           HD1      PHE 150   7.383  -3.996   5.027
  105    HD2  PHE 150           HD2      PHE 150   5.164  -3.541   1.428
  106    HE1  PHE 150           HE1      PHE 150   5.288  -4.170   6.303
  107    HE2  PHE 150           HE2      PHE 150   3.062  -3.711   2.697
  108    HZ   PHE 150           HZ       PHE 150   3.123  -4.024   5.138
  109    H    TYR 151           HN       TYR 151   8.821  -1.421  -0.116
  110    HA   TYR 151           HA       TYR 151  11.488  -2.510  -0.161
  111    HB2  TYR 151           HB2      TYR 151  10.057  -2.464  -2.195
  112    HB3  TYR 151           HB1      TYR 151  10.106  -0.705  -2.165
  113    HD1  TYR 151           HD1      TYR 151  11.677   0.356  -3.488
  114    HD2  TYR 151           HD2      TYR 151  12.440  -3.615  -2.172
  115    HE1  TYR 151           HE1      TYR 151  13.749   0.323  -4.810
  116    HE2  TYR 151           HE2      TYR 151  14.509  -3.659  -3.489
  117    HH   TYR 151           HH       TYR 151  15.488  -2.546  -5.420
  118    H    HIS 152           HN       HIS 152   9.950   0.439   0.656
  119    HA   HIS 152           HA       HIS 152  10.661   2.444   1.418
  120    HB2  HIS 152           HB2      HIS 152  12.075   1.034   2.914
  121    HB3  HIS 152           HB1      HIS 152  13.366   1.120   1.724
  122    HD1  HIS 152           HD1      HIS 152  11.832   2.961   4.514
  123    HD2  HIS 152           HD2      HIS 152  14.538   3.743   1.457
  124    HE1  HIS 152           HE1      HIS 152  12.981   5.100   5.162
  125    HE2  HIS 152           HE2      HIS 152  14.736   5.454   3.388
  Start of MODEL    2
    1    H1   GLY 139           HT1      GLY 139  -9.870   4.952  -5.245
    2    H2   GLY 139           HT2      GLY 139  -8.976   5.916  -4.182
    3    H3   GLY 139           HT3      GLY 139 -10.610   6.247  -4.448
    4    HA2  GLY 139           HA1      GLY 139 -11.241   4.163  -3.430
    5    HA3  GLY 139           HA2      GLY 139  -9.541   3.798  -3.173
    6    H    ARG 140           HN       ARG 140 -11.221   3.773  -1.055
    7    HA   ARG 140           HA       ARG 140 -10.273   6.096   0.462
    8    HB2  ARG 140           HB2      ARG 140 -12.651   6.448  -0.032
    9    HB3  ARG 140           HB1      ARG 140 -13.038   4.877   0.654
   10    HG2  ARG 140           HG2      ARG 140 -12.495   5.598   2.839
   11    HG3  ARG 140           HG1      ARG 140 -11.745   7.077   2.237
   12    HD2  ARG 140           HD2      ARG 140 -14.670   6.389   1.964
   13    HD3  ARG 140           HD1      ARG 140 -13.996   7.447   3.203
   14    HE   ARG 140           HE       ARG 140 -13.286   8.274   0.556
   15   HH11  ARG 140          HH11      ARG 140 -15.858   8.391   2.931
   16   HH12  ARG 140          HH12      ARG 140 -16.516   9.876   2.325
   17   HH21  ARG 140          HH21      ARG 140 -14.148  10.217  -0.243
   18   HH22  ARG 140          HH22      ARG 140 -15.549  10.913   0.511
   19    H    LYS 141           HN       LYS 141 -11.845   2.913   0.817
   20    HA   LYS 141           HA       LYS 141 -10.209   2.399   3.178
   21    HB2  LYS 141           HB2      LYS 141 -12.594   1.837   3.302
   22    HB3  LYS 141           HB1      LYS 141 -12.425   0.765   1.919
   23    HG2  LYS 141           HG2      LYS 141 -12.497  -0.512   3.964
   24    HG3  LYS 141           HG1      LYS 141 -10.903  -0.653   3.222
   25    HD2  LYS 141           HD2      LYS 141 -10.073   1.092   4.771
   26    HD3  LYS 141           HD1      LYS 141 -11.657   1.118   5.548
   27    HE2  LYS 141           HE2      LYS 141 -11.397  -1.251   6.123
   28    HE3  LYS 141           HE1      LYS 141  -9.807  -1.256   5.361
   29    HZ1  LYS 141           HZ1      LYS 141  -9.084   0.405   6.969
   30    HZ2  LYS 141           HZ2      LYS 141  -9.618  -0.999   7.742
   31    HZ3  LYS 141           HZ3      LYS 141 -10.604   0.373   7.711
   32    H    ARG 142           HN       ARG 142  -8.180   2.145   2.263
   33    HA   ARG 142           HA       ARG 142  -7.856   0.097   0.203
   34    HB2  ARG 142           HB2      ARG 142  -6.788   2.322  -0.109
   35    HB3  ARG 142           HB1      ARG 142  -5.814   2.026   1.325
   36    HG2  ARG 142           HG2      ARG 142  -4.795   0.093   0.231
   37    HG3  ARG 142           HG1      ARG 142  -5.762   0.407  -1.209
   38    HD2  ARG 142           HD2      ARG 142  -3.522   1.289  -1.490
   39    HD3  ARG 142           HD1      ARG 142  -4.695   2.604  -1.434
   40    HE   ARG 142           HE       ARG 142  -3.921   2.490   1.113
   41   HH11  ARG 142          HH11      ARG 142  -2.034   2.473  -1.841
   42   HH12  ARG 142          HH12      ARG 142  -0.667   3.255  -1.120
   43   HH21  ARG 142          HH21      ARG 142  -2.135   3.530   2.059
   44   HH22  ARG 142          HH22      ARG 142  -0.725   3.859   1.101
   45    H    ARG 143           HN       ARG 143  -7.687  -1.890   0.982
   46    HA   ARG 143           HA       ARG 143  -6.742  -2.472   3.617
   47    HB2  ARG 143           HB2      ARG 143  -7.371  -4.280   1.279
   48    HB3  ARG 143           HB1      ARG 143  -6.958  -4.852   2.887
   49    HG2  ARG 143           HG2      ARG 143  -8.930  -3.738   3.794
   50    HG3  ARG 143           HG1      ARG 143  -9.344  -3.159   2.180
   51    HD2  ARG 143           HD2      ARG 143 -10.647  -5.137   2.739
   52    HD3  ARG 143           HD1      ARG 143  -9.545  -5.471   1.403
   53    HE   ARG 143           HE       ARG 143  -8.334  -6.181   3.862
   54   HH11  ARG 143          HH11      ARG 143 -10.800  -7.244   1.619
   55   HH12  ARG 143          HH12      ARG 143 -10.671  -8.916   2.069
   56   HH21  ARG 143          HH21      ARG 143  -8.157  -8.390   4.449
   57   HH22  ARG 143          HH22      ARG 143  -9.161  -9.566   3.660
   58    H    GLN 144           HN       GLN 144  -5.421  -2.708   0.374
   59    HA   GLN 144           HA       GLN 144  -2.873  -3.678   1.462
   60    HB2  GLN 144           HB2      GLN 144  -3.982  -3.597  -1.342
   61    HB3  GLN 144           HB1      GLN 144  -2.321  -4.040  -0.977
   62    HG2  GLN 144           HG2      GLN 144  -3.017  -5.967   0.228
   63    HG3  GLN 144           HG1      GLN 144  -4.705  -5.465   0.169
   64   HE21  GLN 144          HE21      GLN 144  -2.631  -5.060  -2.572
   65   HE22  GLN 144          HE22      GLN 144  -3.338  -6.297  -3.547
   66    H    DAB 145           HN       DAB 145  -1.524  -2.113   2.007
   67    HA   DAB 145           HA       DAB 145  -1.774   0.524   0.859
   68    HB2  DAB 145           HB1      DAB 145  -1.519   0.391   3.233
   69    HB3  DAB 145           HB2      DAB 145  -0.088   1.152   2.560
   70    HG2  DAB 145           HG1      DAB 145  -0.211  -1.764   3.272
   71    HG3  DAB 145           HG2      DAB 145   0.302  -0.504   4.388
   72    HD1  DAB 145           HD1      DAB 145   1.681  -1.005   1.833
   73    H    SER 146           HN       SER 146  -0.722  -1.742  -0.718
   74    HA   SER 146           HA       SER 146   0.710  -2.039  -2.443
   75    HB2  SER 146           HB2      SER 146   1.924  -0.294  -3.355
   76    HB3  SER 146           HB1      SER 146   0.732   0.597  -2.412
   77    HG   SER 146           HG       SER 146   2.319   0.686  -0.711
   78    H    MET 147           HN       MET 147   2.545  -3.169  -2.729
   79    HA   MET 147           HA       MET 147   4.056  -3.974  -0.456
   80    HB2  MET 147           HB2      MET 147   3.619  -5.480  -2.347
   81    HB3  MET 147           HB1      MET 147   4.539  -4.426  -3.410
   82    HG2  MET 147           HG2      MET 147   5.827  -6.378  -2.764
   83    HG3  MET 147           HG1      MET 147   6.565  -4.896  -2.162
   84    HE1  MET 147           HE1      MET 147   7.488  -7.665  -1.056
   85    HE2  MET 147           HE2      MET 147   7.516  -7.351   0.679
   86    HE3  MET 147           HE3      MET 147   8.081  -6.119  -0.449
   87    H    THR 148           HN       THR 148   4.123  -1.225  -2.320
   88    HA   THR 148           HA       THR 148   6.934  -0.858  -2.588
   89    HB   THR 148           HB       THR 148   4.830   1.299  -2.687
   90    HG1  THR 148           HG1      THR 148   5.306  -0.850  -4.385
   91   HG21  THR 148          HG21      THR 148   7.176   2.030  -2.741
   92   HG22  THR 148          HG22      THR 148   6.362   2.340  -4.272
   93   HG23  THR 148          HG23      THR 148   7.467   0.975  -4.123
   94    H    GLU 149           HN       GLU 149   4.674  -0.431  -0.066
   95    HA   GLU 149           HA       GLU 149   6.109   1.597   1.341
   96    HB2  GLU 149           HB2      GLU 149   4.626   1.201   3.159
   97    HB3  GLU 149           HB1      GLU 149   3.679   1.069   1.688
   98    HG2  GLU 149           HG2      GLU 149   3.809  -1.368   1.834
   99    HG3  GLU 149           HG1      GLU 149   4.731  -1.224   3.324
  100    H    PHE 150           HN       PHE 150   6.406  -1.791   0.987
  101    HA   PHE 150           HA       PHE 150   8.105  -2.100   3.328
  102    HB2  PHE 150           HB2      PHE 150   7.291  -4.084   1.192
  103    HB3  PHE 150           HB1      PHE 150   8.262  -4.472   2.608
  104    HD1  PHE 150           HD1      PHE 150   4.940  -3.923   1.317
  105    HD2  PHE 150           HD2      PHE 150   7.249  -4.328   4.866
  106    HE1  PHE 150           HE1      PHE 150   2.886  -4.362   2.594
  107    HE2  PHE 150           HE2      PHE 150   5.197  -4.768   6.153
  108    HZ   PHE 150           HZ       PHE 150   3.014  -4.786   5.016
  109    H    TYR 151           HN       TYR 151   8.315  -1.892  -0.155
  110    HA   TYR 151           HA       TYR 151  11.111  -2.543  -0.239
  111    HB2  TYR 151           HB2      TYR 151   9.592  -2.995  -2.153
  112    HB3  TYR 151           HB1      TYR 151   9.381  -1.261  -2.368
  113    HD1  TYR 151           HD1      TYR 151  10.938   0.000  -3.620
  114    HD2  TYR 151           HD2      TYR 151  11.902  -3.976  -2.454
  115    HE1  TYR 151           HE1      TYR 151  12.927   0.065  -5.063
  116    HE2  TYR 151           HE2      TYR 151  13.892  -3.922  -3.890
  117    HH   TYR 151           HH       TYR 151  15.137  -1.075  -5.195
  118    H    HIS 152           HN       HIS 152  12.649  -1.224   0.373
  119    HA   HIS 152           HA       HIS 152  12.170   1.617   0.657
  120    HB2  HIS 152           HB2      HIS 152  13.403   0.395   2.408
  121    HB3  HIS 152           HB1      HIS 152  14.642  -0.035   1.237
  122    HD1  HIS 152           HD1      HIS 152  13.423   2.794   3.340
  123    HD2  HIS 152           HD2      HIS 152  16.444   2.021   0.595
  124    HE1  HIS 152           HE1      HIS 152  15.024   4.719   3.541
  125    HE2  HIS 152           HE2      HIS 152  16.755   4.310   1.754
  Start of MODEL    3
    1    H1   GLY 139           HT1      GLY 139 -17.608   4.875   4.486
    2    H2   GLY 139           HT2      GLY 139 -16.824   3.553   3.781
    3    H3   GLY 139           HT3      GLY 139 -17.244   4.887   2.836
    4    HA2  GLY 139           HA1      GLY 139 -15.700   6.282   4.043
    5    HA3  GLY 139           HA2      GLY 139 -15.270   4.906   5.047
    6    H    ARG 140           HN       ARG 140 -13.148   5.868   4.007
    7    HA   ARG 140           HA       ARG 140 -12.574   5.065   1.325
    8    HB2  ARG 140           HB2      ARG 140 -10.801   5.906   3.617
    9    HB3  ARG 140           HB1      ARG 140 -10.189   5.528   2.014
   10    HG2  ARG 140           HG2      ARG 140 -11.517   7.339   1.070
   11    HG3  ARG 140           HG1      ARG 140 -12.153   7.710   2.674
   12    HD2  ARG 140           HD2      ARG 140  -9.950   8.269   3.469
   13    HD3  ARG 140           HD1      ARG 140  -9.233   7.766   1.939
   14    HE   ARG 140           HE       ARG 140 -10.995   9.689   1.207
   15   HH11  ARG 140          HH11      ARG 140  -8.392   9.558   3.541
   16   HH12  ARG 140          HH12      ARG 140  -8.014  11.248   3.406
   17   HH21  ARG 140          HH21      ARG 140 -10.480  11.915   1.008
   18   HH22  ARG 140          HH22      ARG 140  -9.190  12.582   1.960
   19    H    LYS 141           HN       LYS 141 -11.289   3.363   0.616
   20    HA   LYS 141           HA       LYS 141 -10.784   1.240   2.588
   21    HB2  LYS 141           HB2      LYS 141 -11.738   0.961  -0.262
   22    HB3  LYS 141           HB1      LYS 141 -11.148  -0.382   0.705
   23    HG2  LYS 141           HG2      LYS 141 -12.948   0.007   2.322
   24    HG3  LYS 141           HG1      LYS 141 -13.550   1.326   1.314
   25    HD2  LYS 141           HD2      LYS 141 -13.928  -0.228  -0.518
   26    HD3  LYS 141           HD1      LYS 141 -13.275  -1.549   0.450
   27    HE2  LYS 141           HE2      LYS 141 -15.081  -1.259   2.067
   28    HE3  LYS 141           HE1      LYS 141 -15.733   0.068   1.105
   29    HZ1  LYS 141           HZ1      LYS 141 -15.451  -2.740   0.189
   30    HZ2  LYS 141           HZ2      LYS 141 -16.109  -1.466  -0.708
   31    HZ3  LYS 141           HZ3      LYS 141 -16.896  -2.015   0.685
   32    H    ARG 142           HN       ARG 142  -8.763   0.510   2.671
   33    HA   ARG 142           HA       ARG 142  -6.786   1.763   0.996
   34    HB2  ARG 142           HB2      ARG 142  -6.428   1.413   3.423
   35    HB3  ARG 142           HB1      ARG 142  -6.441  -0.324   3.157
   36    HG2  ARG 142           HG2      ARG 142  -4.456  -0.162   1.782
   37    HG3  ARG 142           HG1      ARG 142  -4.460   1.594   1.952
   38    HD2  ARG 142           HD2      ARG 142  -2.845   0.610   3.465
   39    HD3  ARG 142           HD1      ARG 142  -4.161   1.350   4.372
   40    HE   ARG 142           HE       ARG 142  -4.874  -1.287   4.086
   41   HH11  ARG 142          HH11      ARG 142  -2.160   0.443   5.455
   42   HH12  ARG 142          HH12      ARG 142  -1.834  -0.761   6.659
   43   HH21  ARG 142          HH21      ARG 142  -4.434  -2.886   5.666
   44   HH22  ARG 142          HH22      ARG 142  -3.122  -2.652   6.776
   45    H    ARG 143           HN       ARG 143  -7.154   0.938  -1.060
   46    HA   ARG 143           HA       ARG 143  -7.149  -1.890  -1.560
   47    HB2  ARG 143           HB2      ARG 143  -7.104  -1.251  -3.939
   48    HB3  ARG 143           HB1      ARG 143  -8.371  -0.413  -3.058
   49    HG2  ARG 143           HG2      ARG 143  -7.049   1.601  -2.992
   50    HG3  ARG 143           HG1      ARG 143  -5.693   0.771  -3.757
   51    HD2  ARG 143           HD2      ARG 143  -6.948   2.137  -5.358
   52    HD3  ARG 143           HD1      ARG 143  -7.016   0.424  -5.767
   53    HE   ARG 143           HE       ARG 143  -9.249   1.050  -4.196
   54   HH11  ARG 143          HH11      ARG 143  -7.962   1.791  -7.368
   55   HH12  ARG 143          HH12      ARG 143  -9.528   1.993  -8.092
   56   HH21  ARG 143          HH21      ARG 143 -11.306   1.304  -5.150
   57   HH22  ARG 143          HH22      ARG 143 -11.427   1.723  -6.830
   58    H    GLN 144           HN       GLN 144  -4.806   0.555  -1.148
   59    HA   GLN 144           HA       GLN 144  -2.679  -0.839  -2.503
   60    HB2  GLN 144           HB2      GLN 144  -2.668   1.516  -0.613
   61    HB3  GLN 144           HB1      GLN 144  -1.227   0.873  -1.385
   62    HG2  GLN 144           HG2      GLN 144  -2.213   1.362  -3.582
   63    HG3  GLN 144           HG1      GLN 144  -3.615   2.061  -2.777
   64   HE21  GLN 144          HE21      GLN 144  -1.998   3.226  -0.638
   65   HE22  GLN 144          HE22      GLN 144  -1.197   4.591  -1.334
   66    H    DAB 145           HN       DAB 145  -0.725  -1.507  -1.338
   67    HA   DAB 145           HA       DAB 145  -1.357  -2.625   1.308
   68    HB2  DAB 145           HB1      DAB 145  -1.308  -4.446  -0.231
   69    HB3  DAB 145           HB2      DAB 145   0.171  -4.511   0.713
   70    HG2  DAB 145           HG1      DAB 145   0.011  -3.289  -2.025
   71    HG3  DAB 145           HG2      DAB 145   0.415  -4.973  -1.722
   72    HD1  DAB 145           HD1      DAB 145   2.025  -2.782  -0.600
   73    H    SER 146           HN       SER 146  -0.163  -0.107   0.622
   74    HA   SER 146           HA       SER 146   1.457   1.296   1.320
   75    HB2  SER 146           HB2      SER 146   2.783   0.811   3.154
   76    HB3  SER 146           HB1      SER 146   1.492  -0.372   3.354
   77    HG   SER 146           HG       SER 146   2.835  -1.932   2.395
   78    H    MET 147           HN       MET 147   3.268   2.096   0.462
   79    HA   MET 147           HA       MET 147   4.581   0.720  -1.658
   80    HB2  MET 147           HB2      MET 147   5.237   3.288  -0.202
   81    HB3  MET 147           HB1      MET 147   6.102   2.717  -1.621
   82    HG2  MET 147           HG2      MET 147   4.203   2.976  -2.999
   83    HG3  MET 147           HG1      MET 147   3.145   3.213  -1.610
   84    HE1  MET 147           HE1      MET 147   6.081   4.752  -3.738
   85    HE2  MET 147           HE2      MET 147   6.733   4.784  -2.101
   86    HE3  MET 147           HE3      MET 147   6.334   6.293  -2.920
   87    H    THR 148           HN       THR 148   4.770   0.393   1.602
   88    HA   THR 148           HA       THR 148   7.594   0.212   1.966
   89    HB   THR 148           HB       THR 148   5.454  -0.890   3.778
   90    HG1  THR 148           HG1      THR 148   6.267   1.771   3.262
   91   HG21  THR 148          HG21      THR 148   8.186   0.267   4.326
   92   HG22  THR 148          HG22      THR 148   7.765  -1.443   4.370
   93   HG23  THR 148          HG23      THR 148   7.060  -0.331   5.541
   94    H    GLU 149           HN       GLU 149   5.134  -1.869   0.830
   95    HA   GLU 149           HA       GLU 149   6.523  -4.317   1.352
   96    HB2  GLU 149           HB2      GLU 149   4.896  -5.380  -0.021
   97    HB3  GLU 149           HB1      GLU 149   4.052  -4.149   0.899
   98    HG2  GLU 149           HG2      GLU 149   4.131  -2.667  -1.058
   99    HG3  GLU 149           HG1      GLU 149   4.910  -3.950  -1.973
  100    H    PHE 150           HN       PHE 150   6.698  -1.832  -0.980
  101    HA   PHE 150           HA       PHE 150   8.293  -3.428  -2.828
  102    HB2  PHE 150           HB2      PHE 150   7.396  -0.549  -3.070
  103    HB3  PHE 150           HB1      PHE 150   8.168  -1.505  -4.329
  104    HD1  PHE 150           HD1      PHE 150   5.161  -0.210  -3.352
  105    HD2  PHE 150           HD2      PHE 150   6.856  -3.886  -4.662
  106    HE1  PHE 150           HE1      PHE 150   2.947  -0.948  -4.129
  107    HE2  PHE 150           HE2      PHE 150   4.645  -4.629  -5.445
  108    HZ   PHE 150           HZ       PHE 150   2.688  -3.160  -5.179
  109    H    TYR 151           HN       TYR 151   8.538  -0.206  -1.356
  110    HA   TYR 151           HA       TYR 151  11.409  -0.198  -1.680
  111    HB2  TYR 151           HB2      TYR 151   9.588   1.823  -0.351
  112    HB3  TYR 151           HB1      TYR 151  11.282   2.073  -0.761
  113    HD1  TYR 151           HD1      TYR 151  11.958   2.402  -3.089
  114    HD2  TYR 151           HD2      TYR 151   7.871   1.875  -2.048
  115    HE1  TYR 151           HE1      TYR 151  11.292   3.221  -5.309
  116    HE2  TYR 151           HE2      TYR 151   7.194   2.693  -4.262
  117    HH   TYR 151           HH       TYR 151   8.185   4.182  -6.060
  118    H    HIS 152           HN       HIS 152  12.908  -0.001   0.046
  119    HA   HIS 152           HA       HIS 152  11.991  -0.686   2.720
  120    HB2  HIS 152           HB2      HIS 152  13.740  -2.511   1.064
  121    HB3  HIS 152           HB1      HIS 152  13.658  -2.599   2.819
  122    HD1  HIS 152           HD1      HIS 152  12.021  -3.793  -0.208
  123    HD2  HIS 152           HD2      HIS 152  11.004  -3.304   3.789
  124    HE1  HIS 152           HE1      HIS 152   9.966  -5.196   0.141
  125    HE2  HIS 152           HE2      HIS 152   9.269  -4.738   2.516
  Start of MODEL    4
    1    H1   GLY 139           HT1      GLY 139  -5.056   3.208   6.051
    2    H2   GLY 139           HT2      GLY 139  -6.014   4.421   6.734
    3    H3   GLY 139           HT3      GLY 139  -5.713   4.420   5.072
    4    HA2  GLY 139           HA1      GLY 139  -7.272   2.389   6.562
    5    HA3  GLY 139           HA2      GLY 139  -7.941   3.633   5.518
    6    H    ARG 140           HN       ARG 140  -8.826   1.428   4.715
    7    HA   ARG 140           HA       ARG 140  -7.047   0.486   2.558
    8    HB2  ARG 140           HB2      ARG 140  -9.053  -1.112   4.162
    9    HB3  ARG 140           HB1      ARG 140  -8.220  -1.711   2.735
   10    HG2  ARG 140           HG2      ARG 140  -6.097  -1.553   3.851
   11    HG3  ARG 140           HG1      ARG 140  -6.854  -0.809   5.260
   12    HD2  ARG 140           HD2      ARG 140  -7.403  -3.589   4.222
   13    HD3  ARG 140           HD1      ARG 140  -6.401  -3.194   5.618
   14    HE   ARG 140           HE       ARG 140  -8.675  -2.065   6.347
   15   HH11  ARG 140          HH11      ARG 140  -8.113  -5.202   4.887
   16   HH12  ARG 140          HH12      ARG 140  -9.506  -5.933   5.618
   17   HH21  ARG 140          HH21      ARG 140 -10.519  -3.019   7.298
   18   HH22  ARG 140          HH22      ARG 140 -10.875  -4.689   6.989
   19    H    LYS 141           HN       LYS 141  -8.837   2.669   2.348
   20    HA   LYS 141           HA       LYS 141 -11.267   1.642   1.133
   21    HB2  LYS 141           HB2      LYS 141 -11.959   3.997   0.988
   22    HB3  LYS 141           HB1      LYS 141 -11.482   3.554   2.622
   23    HG2  LYS 141           HG2      LYS 141  -9.347   4.653   2.331
   24    HG3  LYS 141           HG1      LYS 141  -9.743   5.025   0.652
   25    HD2  LYS 141           HD2      LYS 141 -11.646   6.383   1.426
   26    HD3  LYS 141           HD1      LYS 141 -11.190   6.043   3.097
   27    HE2  LYS 141           HE2      LYS 141  -9.034   7.124   2.731
   28    HE3  LYS 141           HE1      LYS 141  -9.473   7.447   1.055
   29    HZ1  LYS 141           HZ1      LYS 141 -10.882   8.516   3.437
   30    HZ2  LYS 141           HZ2      LYS 141 -11.274   8.846   1.827
   31    HZ3  LYS 141           HZ3      LYS 141  -9.805   9.381   2.465
   32    H    ARG 142           HN       ARG 142  -8.287   3.252   0.142
   33    HA   ARG 142           HA       ARG 142  -9.166   2.912  -2.646
   34    HB2  ARG 142           HB2      ARG 142  -7.896   4.974  -3.233
   35    HB3  ARG 142           HB1      ARG 142  -9.295   5.267  -2.210
   36    HG2  ARG 142           HG2      ARG 142  -7.934   5.622  -0.303
   37    HG3  ARG 142           HG1      ARG 142  -6.498   5.027  -1.137
   38    HD2  ARG 142           HD2      ARG 142  -6.482   7.457  -0.983
   39    HD3  ARG 142           HD1      ARG 142  -6.587   6.926  -2.660
   40    HE   ARG 142           HE       ARG 142  -9.186   7.332  -1.812
   41   HH11  ARG 142          HH11      ARG 142  -6.277   9.244  -2.158
   42   HH12  ARG 142          HH12      ARG 142  -7.132  10.721  -2.483
   43   HH21  ARG 142          HH21      ARG 142 -10.319   9.281  -2.251
   44   HH22  ARG 142          HH22      ARG 142  -9.423  10.743  -2.533
   45    H    ARG 143           HN       ARG 143  -6.385   3.190  -0.470
   46    HA   ARG 143           HA       ARG 143  -4.936   1.348  -2.189
   47    HB2  ARG 143           HB2      ARG 143  -4.190   3.471  -3.038
   48    HB3  ARG 143           HB1      ARG 143  -3.909   4.080  -1.413
   49    HG2  ARG 143           HG2      ARG 143  -2.091   2.515  -1.103
   50    HG3  ARG 143           HG1      ARG 143  -2.402   1.802  -2.686
   51    HD2  ARG 143           HD2      ARG 143  -1.591   4.664  -2.185
   52    HD3  ARG 143           HD1      ARG 143  -0.510   3.375  -2.712
   53    HE   ARG 143           HE       ARG 143  -2.647   3.495  -4.505
   54   HH11  ARG 143          HH11      ARG 143   0.097   5.436  -3.523
   55   HH12  ARG 143          HH12      ARG 143   0.239   6.231  -5.058
   56   HH21  ARG 143          HH21      ARG 143  -2.468   4.541  -6.515
   57   HH22  ARG 143          HH22      ARG 143  -1.232   5.732  -6.758
   58    H    GLN 144           HN       GLN 144  -4.353  -0.237  -0.924
   59    HA   GLN 144           HA       GLN 144  -2.539   0.288   1.213
   60    HB2  GLN 144           HB2      GLN 144  -4.800   0.438   2.338
   61    HB3  GLN 144           HB1      GLN 144  -5.029  -1.260   1.941
   62    HG2  GLN 144           HG2      GLN 144  -4.245  -0.968   4.231
   63    HG3  GLN 144           HG1      GLN 144  -3.080  -1.859   3.254
   64   HE21  GLN 144          HE21      GLN 144  -3.735   1.076   4.960
   65   HE22  GLN 144          HE22      GLN 144  -2.128   1.711   4.902
   66    H    DAB 145           HN       DAB 145  -1.827  -0.769  -0.961
   67    HA   DAB 145           HA       DAB 145  -2.052  -3.615  -1.080
   68    HB2  DAB 145           HB1      DAB 145  -1.679  -2.605  -3.155
   69    HB3  DAB 145           HB2      DAB 145  -0.149  -3.361  -2.761
   70    HG2  DAB 145           HG1      DAB 145  -0.725  -0.454  -2.291
   71    HG3  DAB 145           HG2      DAB 145  -0.011  -1.091  -3.758
   72    HD1  DAB 145           HD1      DAB 145   1.335  -1.628  -1.217
   73    H    SER 146           HN       SER 146   0.498  -4.562  -1.443
   74    HA   SER 146           HA       SER 146   1.494  -5.301   0.935
   75    HB2  SER 146           HB2      SER 146   2.448  -6.215  -1.048
   76    HB3  SER 146           HB1      SER 146   2.988  -4.633  -1.602
   77    HG   SER 146           HG       SER 146   3.997  -6.160   0.569
   78    H    MET 147           HN       MET 147   2.374  -4.355   2.676
   79    HA   MET 147           HA       MET 147   2.949  -1.571   2.737
   80    HB2  MET 147           HB2      MET 147   2.198  -2.849   4.729
   81    HB3  MET 147           HB1      MET 147   3.732  -3.706   4.735
   82    HG2  MET 147           HG2      MET 147   3.726  -1.941   6.392
   83    HG3  MET 147           HG1      MET 147   4.915  -1.611   5.136
   84    HE1  MET 147           HE1      MET 147   0.847   0.546   5.522
   85    HE2  MET 147           HE2      MET 147   1.449  -0.636   6.686
   86    HE3  MET 147           HE3      MET 147   0.991  -1.151   5.062
   87    H    THR 148           HN       THR 148   4.711  -4.341   1.832
   88    HA   THR 148           HA       THR 148   7.328  -3.306   2.286
   89    HB   THR 148           HB       THR 148   6.541  -5.490   0.356
   90    HG1  THR 148           HG1      THR 148   6.070  -5.440   2.940
   91   HG21  THR 148          HG21      THR 148   8.777  -6.362   0.860
   92   HG22  THR 148          HG22      THR 148   9.074  -4.986   1.921
   93   HG23  THR 148          HG23      THR 148   8.861  -4.734   0.191
   94    H    GLU 149           HN       GLU 149   4.912  -2.832  -0.083
   95    HA   GLU 149           HA       GLU 149   6.611  -2.041  -2.224
   96    HB2  GLU 149           HB2      GLU 149   4.696  -1.464  -3.381
   97    HB3  GLU 149           HB1      GLU 149   4.035  -2.619  -2.236
   98    HG2  GLU 149           HG2      GLU 149   3.286  -0.811  -0.809
   99    HG3  GLU 149           HG1      GLU 149   3.992   0.366  -1.899
  100    H    PHE 150           HN       PHE 150   5.382  -0.575   0.634
  101    HA   PHE 150           HA       PHE 150   6.106   2.121  -0.187
  102    HB2  PHE 150           HB2      PHE 150   4.975   1.077   2.421
  103    HB3  PHE 150           HB1      PHE 150   5.256   2.774   2.053
  104    HD1  PHE 150           HD1      PHE 150   2.832   0.312   2.196
  105    HD2  PHE 150           HD2      PHE 150   4.137   3.519  -0.279
  106    HE1  PHE 150           HE1      PHE 150   0.584   0.455   1.206
  107    HE2  PHE 150           HE2      PHE 150   1.890   3.670  -1.271
  108    HZ   PHE 150           HZ       PHE 150   0.110   2.137  -0.528
  109    H    TYR 151           HN       TYR 151   8.239   0.511  -0.279
  110    HA   TYR 151           HA       TYR 151  10.045   1.734   1.596
  111    HB2  TYR 151           HB2      TYR 151   9.113  -0.344   2.764
  112    HB3  TYR 151           HB1      TYR 151   9.930  -1.290   1.528
  113    HD1  TYR 151           HD1      TYR 151  10.597   1.296   4.133
  114    HD2  TYR 151           HD2      TYR 151  12.128  -1.969   1.878
  115    HE1  TYR 151           HE1      TYR 151  12.647   1.326   5.489
  116    HE2  TYR 151           HE2      TYR 151  14.179  -1.946   3.224
  117    HH   TYR 151           HH       TYR 151  14.449  -0.202   6.132
  118    H    HIS 152           HN       HIS 152   9.548   1.823  -1.165
  119    HA   HIS 152           HA       HIS 152  12.119   1.040  -2.239
  120    HB2  HIS 152           HB2      HIS 152   9.509  -0.055  -3.303
  121    HB3  HIS 152           HB1      HIS 152  10.953   0.054  -4.301
  122    HD1  HIS 152           HD1      HIS 152   9.350  -1.992  -1.662
  123    HD2  HIS 152           HD2      HIS 152  13.062  -1.704  -3.515
  124    HE1  HIS 152           HE1      HIS 152  10.576  -4.093  -1.048
  125    HE2  HIS 152           HE2      HIS 152  12.838  -3.880  -2.127
  Start of MODEL    5
    1    H1   GLY 139           HT1      GLY 139 -12.862   9.765   2.919
    2    H2   GLY 139           HT2      GLY 139 -13.016   8.207   3.561
    3    H3   GLY 139           HT3      GLY 139 -13.469   8.510   1.963
    4    HA2  GLY 139           HA1      GLY 139 -11.199   8.974   1.350
    5    HA3  GLY 139           HA2      GLY 139 -10.709   8.721   3.020
    6    H    ARG 140           HN       ARG 140 -11.700   7.212   0.050
    7    HA   ARG 140           HA       ARG 140 -11.768   4.556   1.149
    8    HB2  ARG 140           HB2      ARG 140 -13.142   5.224  -0.815
    9    HB3  ARG 140           HB1      ARG 140 -11.663   5.401  -1.749
   10    HG2  ARG 140           HG2      ARG 140 -11.172   3.044  -1.467
   11    HG3  ARG 140           HG1      ARG 140 -12.613   2.847  -0.471
   12    HD2  ARG 140           HD2      ARG 140 -14.005   3.518  -2.373
   13    HD3  ARG 140           HD1      ARG 140 -12.558   3.684  -3.364
   14    HE   ARG 140           HE       ARG 140 -12.508   1.113  -2.352
   15   HH11  ARG 140          HH11      ARG 140 -14.649   3.008  -4.373
   16   HH12  ARG 140          HH12      ARG 140 -15.205   1.638  -5.281
   17   HH21  ARG 140          HH21      ARG 140 -13.229  -0.683  -3.541
   18   HH22  ARG 140          HH22      ARG 140 -14.404  -0.467  -4.801
   19    H    LYS 141           HN       LYS 141  -9.796   4.212   2.087
   20    HA   LYS 141           HA       LYS 141  -7.393   4.502   0.462
   21    HB2  LYS 141           HB2      LYS 141  -6.189   4.013   2.578
   22    HB3  LYS 141           HB1      LYS 141  -7.249   5.410   2.691
   23    HG2  LYS 141           HG2      LYS 141  -8.929   4.050   3.825
   24    HG3  LYS 141           HG1      LYS 141  -7.864   2.648   3.710
   25    HD2  LYS 141           HD2      LYS 141  -6.203   3.772   5.083
   26    HD3  LYS 141           HD1      LYS 141  -7.215   5.216   5.152
   27    HE2  LYS 141           HE2      LYS 141  -7.443   3.923   7.193
   28    HE3  LYS 141           HE1      LYS 141  -8.958   3.932   6.297
   29    HZ1  LYS 141           HZ1      LYS 141  -8.416   1.723   5.454
   30    HZ2  LYS 141           HZ2      LYS 141  -8.464   1.738   7.144
   31    HZ3  LYS 141           HZ3      LYS 141  -6.977   1.721   6.344
   32    H    ARG 142           HN       ARG 142  -5.744   2.742   0.690
   33    HA   ARG 142           HA       ARG 142  -6.937   0.070   0.864
   34    HB2  ARG 142           HB2      ARG 142  -6.887   0.799  -1.529
   35    HB3  ARG 142           HB1      ARG 142  -5.147   0.995  -1.397
   36    HG2  ARG 142           HG2      ARG 142  -5.603  -1.083  -2.477
   37    HG3  ARG 142           HG1      ARG 142  -4.967  -1.421  -0.865
   38    HD2  ARG 142           HD2      ARG 142  -7.234  -1.795  -0.046
   39    HD3  ARG 142           HD1      ARG 142  -7.882  -1.435  -1.642
   40    HE   ARG 142           HE       ARG 142  -6.130  -3.474  -2.079
   41   HH11  ARG 142          HH11      ARG 142  -8.868  -3.017   0.048
   42   HH12  ARG 142          HH12      ARG 142  -9.330  -4.689   0.028
   43   HH21  ARG 142          HH21      ARG 142  -6.734  -5.684  -2.119
   44   HH22  ARG 142          HH22      ARG 142  -8.110  -6.211  -1.201
   45    H    ARG 143           HN       ARG 143  -5.838  -0.556   2.685
   46    HA   ARG 143           HA       ARG 143  -3.039   0.045   3.002
   47    HB2  ARG 143           HB2      ARG 143  -3.184  -1.163   5.091
   48    HB3  ARG 143           HB1      ARG 143  -4.560  -0.085   4.950
   49    HG2  ARG 143           HG2      ARG 143  -5.982  -1.957   4.326
   50    HG3  ARG 143           HG1      ARG 143  -4.598  -3.050   4.418
   51    HD2  ARG 143           HD2      ARG 143  -4.340  -2.462   6.802
   52    HD3  ARG 143           HD1      ARG 143  -5.777  -1.447   6.686
   53    HE   ARG 143           HE       ARG 143  -6.340  -4.093   5.828
   54   HH11  ARG 143          HH11      ARG 143  -5.804  -2.174   8.705
   55   HH12  ARG 143          HH12      ARG 143  -6.739  -3.218   9.730
   56   HH21  ARG 143          HH21      ARG 143  -7.554  -5.485   7.185
   57   HH22  ARG 143          HH22      ARG 143  -7.730  -5.098   8.866
   58    H    GLN 144           HN       GLN 144  -4.967  -2.546   1.770
   59    HA   GLN 144           HA       GLN 144  -2.709  -4.352   1.602
   60    HB2  GLN 144           HB2      GLN 144  -5.586  -4.556   0.740
   61    HB3  GLN 144           HB1      GLN 144  -4.392  -5.772   0.299
   62    HG2  GLN 144           HG2      GLN 144  -3.956  -6.233   2.634
   63    HG3  GLN 144           HG1      GLN 144  -5.074  -4.959   3.116
   64   HE21  GLN 144          HE21      GLN 144  -5.043  -7.855   3.656
   65   HE22  GLN 144          HE22      GLN 144  -6.590  -8.431   3.139
   66    H    DAB 145           HN       DAB 145  -1.452  -2.807   0.433
   67    HA   DAB 145           HA       DAB 145  -1.904  -2.985  -2.457
   68    HB2  DAB 145           HB1      DAB 145  -2.539  -0.757  -1.972
   69    HB3  DAB 145           HB2      DAB 145  -0.910  -0.666  -2.628
   70    HG2  DAB 145           HG1      DAB 145  -1.527  -0.649   0.314
   71    HG3  DAB 145           HG2      DAB 145  -1.358   0.796  -0.670
   72    HD1  DAB 145           HD1      DAB 145   0.847  -1.133  -0.393
   73    H    SER 146           HN       SER 146  -0.358  -4.573  -0.685
   74    HA   SER 146           HA       SER 146   1.636  -5.619  -0.565
   75    HB2  SER 146           HB2      SER 146   3.224  -5.449  -2.225
   76    HB3  SER 146           HB1      SER 146   1.843  -4.748  -3.065
   77    HG   SER 146           HG       SER 146   2.637  -2.681  -2.520
   78    H    MET 147           HN       MET 147   3.177  -5.512   0.910
   79    HA   MET 147           HA       MET 147   3.570  -3.170   2.460
   80    HB2  MET 147           HB2      MET 147   3.749  -5.450   3.381
   81    HB3  MET 147           HB1      MET 147   5.153  -5.749   2.369
   82    HG2  MET 147           HG2      MET 147   6.403  -4.047   3.566
   83    HG3  MET 147           HG1      MET 147   4.988  -3.685   4.552
   84    HE1  MET 147           HE1      MET 147   7.122  -7.783   4.687
   85    HE2  MET 147           HE2      MET 147   7.493  -6.531   3.501
   86    HE3  MET 147           HE3      MET 147   5.941  -7.362   3.452
   87    H    THR 148           HN       THR 148   4.660  -3.999  -0.536
   88    HA   THR 148           HA       THR 148   7.388  -3.199  -0.389
   89    HB   THR 148           HB       THR 148   5.673  -3.385  -2.861
   90    HG1  THR 148           HG1      THR 148   6.802  -5.405  -1.225
   91   HG21  THR 148          HG21      THR 148   8.616  -3.866  -2.399
   92   HG22  THR 148          HG22      THR 148   7.916  -2.441  -3.162
   93   HG23  THR 148          HG23      THR 148   7.772  -4.016  -3.938
   94    H    GLU 149           HN       GLU 149   4.389  -1.593  -0.738
   95    HA   GLU 149           HA       GLU 149   5.358   0.729  -2.080
   96    HB2  GLU 149           HB2      GLU 149   3.234   1.706  -1.638
   97    HB3  GLU 149           HB1      GLU 149   2.949   0.013  -2.002
   98    HG2  GLU 149           HG2      GLU 149   2.748  -0.461   0.387
   99    HG3  GLU 149           HG1      GLU 149   3.009   1.239   0.742
  100    H    PHE 150           HN       PHE 150   5.576  -0.424   1.090
  101    HA   PHE 150           HA       PHE 150   6.036   2.212   2.244
  102    HB2  PHE 150           HB2      PHE 150   6.120  -0.512   3.556
  103    HB3  PHE 150           HB1      PHE 150   6.187   1.041   4.383
  104    HD1  PHE 150           HD1      PHE 150   4.144   2.643   3.825
  105    HD2  PHE 150           HD2      PHE 150   4.110  -1.590   3.444
  106    HE1  PHE 150           HE1      PHE 150   1.689   2.654   3.980
  107    HE2  PHE 150           HE2      PHE 150   1.652  -1.589   3.589
  108    HZ   PHE 150           HZ       PHE 150   0.440   0.534   3.860
  109    H    TYR 151           HN       TYR 151   7.759  -0.681   1.291
  110    HA   TYR 151           HA       TYR 151  10.261   0.242   2.403
  111    HB2  TYR 151           HB2      TYR 151   9.525  -2.160   0.738
  112    HB3  TYR 151           HB1      TYR 151  11.187  -1.785   1.182
  113    HD1  TYR 151           HD1      TYR 151   8.497  -3.750   2.047
  114    HD2  TYR 151           HD2      TYR 151  11.376  -1.187   3.831
  115    HE1  TYR 151           HE1      TYR 151   8.190  -4.899   4.195
  116    HE2  TYR 151           HE2      TYR 151  11.074  -2.330   5.980
  117    HH   TYR 151           HH       TYR 151   9.381  -5.280   6.270
  118    H    HIS 152           HN       HIS 152  10.453   2.231   1.326
  119    HA   HIS 152           HA       HIS 152  11.371   3.625  -0.203
  120    HB2  HIS 152           HB2      HIS 152  12.501   1.049  -1.317
  121    HB3  HIS 152           HB1      HIS 152  12.966   2.651  -1.873
  122    HD1  HIS 152           HD1      HIS 152  14.609   3.965  -0.432
  123    HD2  HIS 152           HD2      HIS 152  13.438   0.357   1.264
  124    HE1  HIS 152           HE1      HIS 152  16.167   3.590   1.506
  125    HE2  HIS 152           HE2      HIS 152  15.413   1.423   2.544
  Start of MODEL    6
    1    H1   GLY 139           HT1      GLY 139 -12.570   8.073   0.938
    2    H2   GLY 139           HT2      GLY 139 -11.878   9.588   1.225
    3    H3   GLY 139           HT3      GLY 139 -11.249   8.217   1.983
    4    HA2  GLY 139           HA1      GLY 139 -11.195   8.779  -0.925
    5    HA3  GLY 139           HA2      GLY 139  -9.823   8.877   0.171
    6    H    ARG 140           HN       ARG 140  -8.556   7.281  -0.678
    7    HA   ARG 140           HA       ARG 140  -9.750   4.629  -1.030
    8    HB2  ARG 140           HB2      ARG 140  -7.058   5.723  -1.853
    9    HB3  ARG 140           HB1      ARG 140  -7.579   4.067  -2.117
   10    HG2  ARG 140           HG2      ARG 140  -9.312   4.777  -3.603
   11    HG3  ARG 140           HG1      ARG 140  -9.006   6.473  -3.222
   12    HD2  ARG 140           HD2      ARG 140  -8.041   5.781  -5.386
   13    HD3  ARG 140           HD1      ARG 140  -6.829   6.358  -4.245
   14    HE   ARG 140           HE       ARG 140  -7.071   3.555  -4.041
   15   HH11  ARG 140          HH11      ARG 140  -5.890   6.010  -6.225
   16   HH12  ARG 140          HH12      ARG 140  -4.631   5.013  -6.879
   17   HH21  ARG 140          HH21      ARG 140  -5.409   2.221  -4.897
   18   HH22  ARG 140          HH22      ARG 140  -4.355   2.856  -6.118
   19    H    LYS 141           HN       LYS 141  -9.789   3.509   0.824
   20    HA   LYS 141           HA       LYS 141  -7.689   3.728   2.778
   21    HB2  LYS 141           HB2      LYS 141 -10.134   1.987   2.550
   22    HB3  LYS 141           HB1      LYS 141  -8.941   1.745   3.818
   23    HG2  LYS 141           HG2      LYS 141  -9.325   3.990   4.648
   24    HG3  LYS 141           HG1      LYS 141 -10.473   4.293   3.342
   25    HD2  LYS 141           HD2      LYS 141 -11.969   2.619   4.189
   26    HD3  LYS 141           HD1      LYS 141 -10.786   2.105   5.391
   27    HE2  LYS 141           HE2      LYS 141 -12.015   4.855   5.284
   28    HE3  LYS 141           HE1      LYS 141 -12.615   3.541   6.293
   29    HZ1  LYS 141           HZ1      LYS 141 -10.449   3.475   7.393
   30    HZ2  LYS 141           HZ2      LYS 141 -11.186   4.987   7.560
   31    HZ3  LYS 141           HZ3      LYS 141  -9.920   4.780   6.457
   32    H    ARG 142           HN       ARG 142  -5.944   3.198   1.346
   33    HA   ARG 142           HA       ARG 142  -5.786   0.590   0.156
   34    HB2  ARG 142           HB2      ARG 142  -3.715   2.763   0.500
   35    HB3  ARG 142           HB1      ARG 142  -3.467   1.286  -0.421
   36    HG2  ARG 142           HG2      ARG 142  -5.220   1.916  -1.965
   37    HG3  ARG 142           HG1      ARG 142  -5.564   3.363  -1.014
   38    HD2  ARG 142           HD2      ARG 142  -2.904   2.772  -2.302
   39    HD3  ARG 142           HD1      ARG 142  -4.160   3.768  -3.037
   40    HE   ARG 142           HE       ARG 142  -3.854   5.009  -0.718
   41   HH11  ARG 142          HH11      ARG 142  -1.421   3.755  -2.894
   42   HH12  ARG 142          HH12      ARG 142  -0.264   4.986  -2.511
   43   HH21  ARG 142          HH21      ARG 142  -2.345   6.638  -0.213
   44   HH22  ARG 142          HH22      ARG 142  -0.791   6.634  -0.986
   45    H    ARG 143           HN       ARG 143  -6.191  -0.586   2.141
   46    HA   ARG 143           HA       ARG 143  -4.042  -0.600   4.117
   47    HB2  ARG 143           HB2      ARG 143  -6.712  -2.012   4.056
   48    HB3  ARG 143           HB1      ARG 143  -5.591  -2.022   5.406
   49    HG2  ARG 143           HG2      ARG 143  -5.977   0.215   5.907
   50    HG3  ARG 143           HG1      ARG 143  -6.665   0.547   4.315
   51    HD2  ARG 143           HD2      ARG 143  -7.915  -1.229   6.404
   52    HD3  ARG 143           HD1      ARG 143  -8.357   0.453   6.114
   53    HE   ARG 143           HE       ARG 143  -8.520  -1.252   3.785
   54   HH11  ARG 143          HH11      ARG 143 -10.220   0.026   6.566
   55   HH12  ARG 143          HH12      ARG 143 -11.793  -0.202   5.870
   56   HH21  ARG 143          HH21      ARG 143 -10.608  -1.538   2.857
   57   HH22  ARG 143          HH22      ARG 143 -12.012  -1.069   3.766
   58    H    GLN 144           HN       GLN 144  -4.905  -2.240   1.311
   59    HA   GLN 144           HA       GLN 144  -3.296  -4.574   2.082
   60    HB2  GLN 144           HB2      GLN 144  -5.881  -4.653   0.511
   61    HB3  GLN 144           HB1      GLN 144  -4.840  -6.031   0.833
   62    HG2  GLN 144           HG2      GLN 144  -5.296  -5.905   3.182
   63    HG3  GLN 144           HG1      GLN 144  -6.193  -4.403   2.969
   64   HE21  GLN 144          HE21      GLN 144  -8.247  -4.462   2.065
   65   HE22  GLN 144          HE22      GLN 144  -9.151  -5.931   1.933
   66    H    DAB 145           HN       DAB 145  -2.270  -2.410   0.746
   67    HA   DAB 145           HA       DAB 145  -2.214  -3.202  -2.071
   68    HB2  DAB 145           HB1      DAB 145  -2.772  -0.904  -1.839
   69    HB3  DAB 145           HB2      DAB 145  -1.142  -0.992  -2.475
   70    HG2  DAB 145           HG1      DAB 145  -1.677  -0.611   0.440
   71    HG3  DAB 145           HG2      DAB 145  -1.629   0.727  -0.693
   72    HD1  DAB 145           HD1      DAB 145   0.679  -1.058  -0.308
   73    H    SER 146           HN       SER 146   0.165  -2.339  -2.950
   74    HA   SER 146           HA       SER 146   1.889  -4.406  -2.536
   75    HB2  SER 146           HB2      SER 146   2.217  -2.922  -4.381
   76    HB3  SER 146           HB1      SER 146   2.464  -1.544  -3.310
   77    HG   SER 146           HG       SER 146   4.233  -3.457  -4.147
   78    H    MET 147           HN       MET 147   3.424  -4.979  -1.127
   79    HA   MET 147           HA       MET 147   3.686  -3.694   1.393
   80    HB2  MET 147           HB2      MET 147   4.038  -6.117   1.070
   81    HB3  MET 147           HB1      MET 147   5.440  -5.778   0.068
   82    HG2  MET 147           HG2      MET 147   6.114  -6.453   2.289
   83    HG3  MET 147           HG1      MET 147   6.574  -4.779   1.982
   84    HE1  MET 147           HE1      MET 147   5.731  -5.012   5.854
   85    HE2  MET 147           HE2      MET 147   7.002  -4.705   4.669
   86    HE3  MET 147           HE3      MET 147   6.355  -6.333   4.866
   87    H    THR 148           HN       THR 148   5.394  -3.581  -1.647
   88    HA   THR 148           HA       THR 148   7.672  -2.193  -0.586
   89    HB   THR 148           HB       THR 148   8.326  -1.900  -2.977
   90    HG1  THR 148           HG1      THR 148   5.751  -2.461  -3.388
   91   HG21  THR 148          HG21      THR 148   8.740  -4.283  -3.402
   92   HG22  THR 148          HG22      THR 148   7.566  -4.705  -2.156
   93   HG23  THR 148          HG23      THR 148   9.052  -3.862  -1.720
   94    H    GLU 149           HN       GLU 149   4.549  -1.211  -1.190
   95    HA   GLU 149           HA       GLU 149   5.081   1.375  -2.274
   96    HB2  GLU 149           HB2      GLU 149   2.818   1.832  -2.014
   97    HB3  GLU 149           HB1      GLU 149   2.811   0.086  -2.170
   98    HG2  GLU 149           HG2      GLU 149   2.597  -0.171   0.215
   99    HG3  GLU 149           HG1      GLU 149   2.727   1.563   0.445
  100    H    PHE 150           HN       PHE 150   5.205  -0.076   0.827
  101    HA   PHE 150           HA       PHE 150   5.508   2.501   2.179
  102    HB2  PHE 150           HB2      PHE 150   5.546  -0.294   3.348
  103    HB3  PHE 150           HB1      PHE 150   5.527   1.211   4.257
  104    HD1  PHE 150           HD1      PHE 150   3.499   2.783   3.768
  105    HD2  PHE 150           HD2      PHE 150   3.576  -1.387   2.945
  106    HE1  PHE 150           HE1      PHE 150   1.038   2.737   3.802
  107    HE2  PHE 150           HE2      PHE 150   1.121  -1.444   2.971
  108    HZ   PHE 150           HZ       PHE 150  -0.155   0.622   3.398
  109    H    TYR 151           HN       TYR 151   7.204  -0.610   2.299
  110    HA   TYR 151           HA       TYR 151   9.658   0.714   3.039
  111    HB2  TYR 151           HB2      TYR 151   9.044  -2.215   2.603
  112    HB3  TYR 151           HB1      TYR 151  10.550  -1.580   3.258
  113    HD1  TYR 151           HD1      TYR 151  10.634  -0.658   5.515
  114    HD2  TYR 151           HD2      TYR 151   7.017  -2.251   3.941
  115    HE1  TYR 151           HE1      TYR 151   9.674  -0.700   7.777
  116    HE2  TYR 151           HE2      TYR 151   6.048  -2.298   6.196
  117    HH   TYR 151           HH       TYR 151   6.812  -2.366   8.534
  118    H    HIS 152           HN       HIS 152  10.190   1.880   1.190
  119    HA   HIS 152           HA       HIS 152  10.692   0.460  -1.288
  120    HB2  HIS 152           HB2      HIS 152  11.083   3.338  -0.467
  121    HB3  HIS 152           HB1      HIS 152  11.605   2.719  -2.028
  122    HD1  HIS 152           HD1      HIS 152   9.867   2.530  -3.831
  123    HD2  HIS 152           HD2      HIS 152   8.223   3.311  -0.095
  124    HE1  HIS 152           HE1      HIS 152   7.436   3.021  -4.250
  125    HE2  HIS 152           HE2      HIS 152   6.512   3.666  -1.999
  Start of MODEL    7
    1    H1   GLY 139           HT1      GLY 139 -10.304   0.616   1.681
    2    H2   GLY 139           HT2      GLY 139 -10.682  -0.647   2.735
    3    H3   GLY 139           HT3      GLY 139  -9.323   0.316   3.025
    4    HA2  GLY 139           HA1      GLY 139 -12.152   1.214   3.122
    5    HA3  GLY 139           HA2      GLY 139 -11.125   0.918   4.515
    6    H    ARG 140           HN       ARG 140  -9.912   2.549   5.276
    7    HA   ARG 140           HA       ARG 140 -10.182   5.174   4.301
    8    HB2  ARG 140           HB2      ARG 140  -8.089   3.984   6.136
    9    HB3  ARG 140           HB1      ARG 140  -8.292   5.706   5.851
   10    HG2  ARG 140           HG2      ARG 140 -10.390   3.895   7.022
   11    HG3  ARG 140           HG1      ARG 140  -9.323   4.948   7.952
   12    HD2  ARG 140           HD2      ARG 140 -10.237   6.892   6.790
   13    HD3  ARG 140           HD1      ARG 140 -11.294   5.839   5.854
   14    HE   ARG 140           HE       ARG 140 -11.865   5.276   8.474
   15   HH11  ARG 140          HH11      ARG 140 -11.874   8.131   6.459
   16   HH12  ARG 140          HH12      ARG 140 -13.169   8.895   7.326
   17   HH21  ARG 140          HH21      ARG 140 -13.575   6.270   9.622
   18   HH22  ARG 140          HH22      ARG 140 -14.144   7.830   9.123
   19    H    LYS 141           HN       LYS 141  -7.543   2.845   4.069
   20    HA   LYS 141           HA       LYS 141  -6.080   4.485   2.196
   21    HB2  LYS 141           HB2      LYS 141  -4.848   3.148   3.805
   22    HB3  LYS 141           HB1      LYS 141  -5.646   1.685   3.258
   23    HG2  LYS 141           HG2      LYS 141  -3.409   1.747   2.399
   24    HG3  LYS 141           HG1      LYS 141  -4.548   1.941   1.065
   25    HD2  LYS 141           HD2      LYS 141  -4.185   4.367   1.128
   26    HD3  LYS 141           HD1      LYS 141  -3.018   4.151   2.435
   27    HE2  LYS 141           HE2      LYS 141  -1.590   2.843   0.995
   28    HE3  LYS 141           HE1      LYS 141  -2.781   2.915  -0.301
   29    HZ1  LYS 141           HZ1      LYS 141  -1.102   4.511  -0.743
   30    HZ2  LYS 141           HZ2      LYS 141  -1.208   5.167   0.810
   31    HZ3  LYS 141           HZ3      LYS 141  -2.484   5.366  -0.280
   32    H    ARG 142           HN       ARG 142  -6.014   4.221   0.003
   33    HA   ARG 142           HA       ARG 142  -7.748   2.150  -1.152
   34    HB2  ARG 142           HB2      ARG 142  -6.608   4.645  -2.433
   35    HB3  ARG 142           HB1      ARG 142  -7.679   3.492  -3.218
   36    HG2  ARG 142           HG2      ARG 142  -9.407   4.008  -1.529
   37    HG3  ARG 142           HG1      ARG 142  -8.336   5.238  -0.859
   38    HD2  ARG 142           HD2      ARG 142  -8.315   6.330  -3.104
   39    HD3  ARG 142           HD1      ARG 142  -9.541   5.172  -3.619
   40    HE   ARG 142           HE       ARG 142 -10.104   6.778  -1.249
   41   HH11  ARG 142          HH11      ARG 142 -10.685   6.176  -4.652
   42   HH12  ARG 142          HH12      ARG 142 -12.116   7.153  -4.711
   43   HH21  ARG 142          HH21      ARG 142 -11.982   8.066  -1.326
   44   HH22  ARG 142          HH22      ARG 142 -12.855   8.227  -2.816
   45    H    ARG 143           HN       ARG 143  -6.958   0.688  -2.630
   46    HA   ARG 143           HA       ARG 143  -5.448  -0.837  -3.355
   47    HB2  ARG 143           HB2      ARG 143  -4.673   1.037  -4.796
   48    HB3  ARG 143           HB1      ARG 143  -3.553   1.526  -3.532
   49    HG2  ARG 143           HG2      ARG 143  -2.468  -0.711  -3.727
   50    HG3  ARG 143           HG1      ARG 143  -3.504  -1.032  -5.117
   51    HD2  ARG 143           HD2      ARG 143  -1.598   1.293  -4.898
   52    HD3  ARG 143           HD1      ARG 143  -1.232  -0.223  -5.719
   53    HE   ARG 143           HE       ARG 143  -3.623   0.873  -6.744
   54   HH11  ARG 143          HH11      ARG 143  -0.164   1.379  -6.776
   55   HH12  ARG 143          HH12      ARG 143  -0.153   2.118  -8.345
   56   HH21  ARG 143          HH21      ARG 143  -3.616   1.855  -8.811
   57   HH22  ARG 143          HH22      ARG 143  -2.120   2.404  -9.496
   58    H    GLN 144           HN       GLN 144  -5.726  -1.468  -1.048
   59    HA   GLN 144           HA       GLN 144  -3.566  -0.840   0.767
   60    HB2  GLN 144           HB2      GLN 144  -5.853  -2.792   1.096
   61    HB3  GLN 144           HB1      GLN 144  -4.771  -2.241   2.367
   62    HG2  GLN 144           HG2      GLN 144  -5.592   0.062   2.003
   63    HG3  GLN 144           HG1      GLN 144  -6.748  -0.571   0.836
   64   HE21  GLN 144          HE21      GLN 144  -7.190  -3.012   2.426
   65   HE22  GLN 144          HE22      GLN 144  -8.183  -2.526   3.756
   66    H    DAB 145           HN       DAB 145  -2.209  -1.780  -1.112
   67    HA   DAB 145           HA       DAB 145  -1.937  -4.653  -1.034
   68    HB2  DAB 145           HB1      DAB 145  -1.657  -3.757  -3.189
   69    HB3  DAB 145           HB2      DAB 145  -0.053  -4.218  -2.660
   70    HG2  DAB 145           HG1      DAB 145  -1.046  -1.414  -2.388
   71    HG3  DAB 145           HG2      DAB 145  -0.323  -2.016  -3.868
   72    HD1  DAB 145           HD1      DAB 145   1.162  -2.133  -1.336
   73    H    SER 146           HN       SER 146   0.697  -5.165  -1.157
   74    HA   SER 146           HA       SER 146   1.685  -5.324   1.356
   75    HB2  SER 146           HB2      SER 146   2.808  -6.455  -0.419
   76    HB3  SER 146           HB1      SER 146   3.155  -4.939  -1.250
   77    HG   SER 146           HG       SER 146   4.440  -6.137   0.887
   78    H    MET 147           HN       MET 147   2.589  -4.013   2.842
   79    HA   MET 147           HA       MET 147   2.658  -1.194   2.392
   80    HB2  MET 147           HB2      MET 147   3.645  -2.884   4.692
   81    HB3  MET 147           HB1      MET 147   3.727  -1.130   4.675
   82    HG2  MET 147           HG2      MET 147   1.273  -1.049   4.442
   83    HG3  MET 147           HG1      MET 147   1.233  -2.807   4.560
   84    HE1  MET 147           HE1      MET 147   2.051   0.552   6.400
   85    HE2  MET 147           HE2      MET 147   3.583  -0.311   6.546
   86    HE3  MET 147           HE3      MET 147   2.596  -0.015   7.978
   87    H    THR 148           HN       THR 148   4.925  -3.803   2.115
   88    HA   THR 148           HA       THR 148   7.231  -2.085   2.161
   89    HB   THR 148           HB       THR 148   8.338  -4.236   1.179
   90    HG1  THR 148           HG1      THR 148   6.337  -5.279   0.688
   91   HG21  THR 148          HG21      THR 148   8.684  -3.401   3.454
   92   HG22  THR 148          HG22      THR 148   8.547  -5.159   3.438
   93   HG23  THR 148          HG23      THR 148   7.185  -4.174   3.969
   94    H    GLU 149           HN       GLU 149   4.836  -2.586  -0.092
   95    HA   GLU 149           HA       GLU 149   6.416  -2.379  -2.459
   96    HB2  GLU 149           HB2      GLU 149   4.413  -2.145  -3.633
   97    HB3  GLU 149           HB1      GLU 149   3.910  -3.070  -2.229
   98    HG2  GLU 149           HG2      GLU 149   3.055  -1.074  -1.176
   99    HG3  GLU 149           HG1      GLU 149   3.632  -0.090  -2.507
  100    H    PHE 150           HN       PHE 150   5.282  -0.222  -0.052
  101    HA   PHE 150           HA       PHE 150   5.804   2.172  -1.626
  102    HB2  PHE 150           HB2      PHE 150   4.887   1.893   1.246
  103    HB3  PHE 150           HB1      PHE 150   4.976   3.397   0.341
  104    HD1  PHE 150           HD1      PHE 150   3.568   3.472  -1.860
  105    HD2  PHE 150           HD2      PHE 150   2.900   0.742   1.337
  106    HE1  PHE 150           HE1      PHE 150   1.252   3.148  -2.625
  107    HE2  PHE 150           HE2      PHE 150   0.582   0.414   0.575
  108    HZ   PHE 150           HZ       PHE 150  -0.244   1.616  -1.408
  109    H    TYR 151           HN       TYR 151   6.976   0.547   1.280
  110    HA   TYR 151           HA       TYR 151   9.037   2.494   1.738
  111    HB2  TYR 151           HB2      TYR 151   8.442  -0.171   3.033
  112    HB3  TYR 151           HB1      TYR 151   9.756   0.888   3.534
  113    HD1  TYR 151           HD1      TYR 151   9.330   2.887   4.796
  114    HD2  TYR 151           HD2      TYR 151   6.103   0.498   3.398
  115    HE1  TYR 151           HE1      TYR 151   7.787   4.124   6.253
  116    HE2  TYR 151           HE2      TYR 151   4.555   1.725   4.851
  117    HH   TYR 151           HH       TYR 151   5.463   4.624   6.465
  118    H    HIS 152           HN       HIS 152  10.827   2.577   0.616
  119    HA   HIS 152           HA       HIS 152  12.372   0.191   0.095
  120    HB2  HIS 152           HB2      HIS 152  10.876   0.298  -1.873
  121    HB3  HIS 152           HB1      HIS 152  11.425   1.937  -2.195
  122    HD1  HIS 152           HD1      HIS 152  12.662  -1.630  -2.240
  123    HD2  HIS 152           HD2      HIS 152  13.769   2.126  -3.634
  124    HE1  HIS 152           HE1      HIS 152  14.587  -2.030  -3.802
  125    HE2  HIS 152           HE2      HIS 152  15.126   0.233  -4.763
  Start of MODEL    8
    1    H1   GLY 139           HT1      GLY 139 -15.761   4.001   6.154
    2    H2   GLY 139           HT2      GLY 139 -16.915   3.025   5.395
    3    H3   GLY 139           HT3      GLY 139 -17.284   4.632   5.773
    4    HA2  GLY 139           HA1      GLY 139 -16.843   4.414   3.424
    5    HA3  GLY 139           HA2      GLY 139 -15.640   5.427   4.209
    6    H    ARG 140           HN       ARG 140 -13.615   4.377   4.849
    7    HA   ARG 140           HA       ARG 140 -11.722   3.242   4.352
    8    HB2  ARG 140           HB2      ARG 140 -13.702   1.005   3.915
    9    HB3  ARG 140           HB1      ARG 140 -11.959   0.788   3.999
   10    HG2  ARG 140           HG2      ARG 140 -11.987   1.706   6.286
   11    HG3  ARG 140           HG1      ARG 140 -13.748   1.799   6.196
   12    HD2  ARG 140           HD2      ARG 140 -13.863  -0.606   5.837
   13    HD3  ARG 140           HD1      ARG 140 -12.107  -0.707   5.891
   14    HE   ARG 140           HE       ARG 140 -13.659   0.239   8.208
   15   HH11  ARG 140          HH11      ARG 140 -11.264  -1.890   6.790
   16   HH12  ARG 140          HH12      ARG 140 -10.865  -2.650   8.298
   17   HH21  ARG 140          HH21      ARG 140 -13.133  -0.774  10.195
   18   HH22  ARG 140          HH22      ARG 140 -11.928  -2.021  10.229
   19    H    LYS 141           HN       LYS 141 -12.416   4.816   2.281
   20    HA   LYS 141           HA       LYS 141 -12.286   3.229  -0.153
   21    HB2  LYS 141           HB2      LYS 141 -12.404   6.214   0.294
   22    HB3  LYS 141           HB1      LYS 141 -12.300   5.467  -1.293
   23    HG2  LYS 141           HG2      LYS 141 -14.527   5.056   0.692
   24    HG3  LYS 141           HG1      LYS 141 -14.589   6.106  -0.725
   25    HD2  LYS 141           HD2      LYS 141 -14.230   4.151  -2.172
   26    HD3  LYS 141           HD1      LYS 141 -14.195   3.111  -0.748
   27    HE2  LYS 141           HE2      LYS 141 -16.524   4.784  -1.678
   28    HE3  LYS 141           HE1      LYS 141 -16.377   3.033  -1.822
   29    HZ1  LYS 141           HZ1      LYS 141 -17.733   3.554   0.057
   30    HZ2  LYS 141           HZ2      LYS 141 -16.564   4.597   0.689
   31    HZ3  LYS 141           HZ3      LYS 141 -16.265   2.937   0.629
   32    H    ARG 142           HN       ARG 142 -10.209   2.394   0.860
   33    HA   ARG 142           HA       ARG 142  -8.014   3.744  -0.481
   34    HB2  ARG 142           HB2      ARG 142  -6.531   3.541   1.495
   35    HB3  ARG 142           HB1      ARG 142  -7.852   4.671   1.755
   36    HG2  ARG 142           HG2      ARG 142  -9.056   2.953   3.024
   37    HG3  ARG 142           HG1      ARG 142  -7.710   1.840   2.774
   38    HD2  ARG 142           HD2      ARG 142  -7.546   4.489   4.209
   39    HD3  ARG 142           HD1      ARG 142  -7.643   2.911   4.986
   40    HE   ARG 142           HE       ARG 142  -5.447   3.016   3.188
   41   HH11  ARG 142          HH11      ARG 142  -6.499   4.099   6.346
   42   HH12  ARG 142          HH12      ARG 142  -4.890   4.210   6.989
   43   HH21  ARG 142          HH21      ARG 142  -3.315   3.169   4.028
   44   HH22  ARG 142          HH22      ARG 142  -3.077   3.683   5.668
   45    H    ARG 143           HN       ARG 143  -6.749   2.311  -1.494
   46    HA   ARG 143           HA       ARG 143  -7.084  -0.523  -0.811
   47    HB2  ARG 143           HB2      ARG 143  -7.669   0.096  -3.129
   48    HB3  ARG 143           HB1      ARG 143  -6.038   0.709  -3.368
   49    HG2  ARG 143           HG2      ARG 143  -5.136  -1.527  -3.008
   50    HG3  ARG 143           HG1      ARG 143  -6.766  -2.145  -2.744
   51    HD2  ARG 143           HD2      ARG 143  -7.366  -1.474  -5.039
   52    HD3  ARG 143           HD1      ARG 143  -5.708  -0.923  -5.293
   53    HE   ARG 143           HE       ARG 143  -5.652  -3.588  -4.422
   54   HH11  ARG 143          HH11      ARG 143  -6.611  -1.728  -7.234
   55   HH12  ARG 143          HH12      ARG 143  -6.341  -3.036  -8.342
   56   HH21  ARG 143          HH21      ARG 143  -5.301  -5.302  -5.879
   57   HH22  ARG 143          HH22      ARG 143  -5.614  -5.072  -7.569
   58    H    GLN 144           HN       GLN 144  -5.555  -1.206   0.514
   59    HA   GLN 144           HA       GLN 144  -2.961   0.041   0.589
   60    HB2  GLN 144           HB2      GLN 144  -2.510  -1.466   2.452
   61    HB3  GLN 144           HB1      GLN 144  -4.071  -0.686   2.661
   62    HG2  GLN 144           HG2      GLN 144  -5.178  -2.715   1.836
   63    HG3  GLN 144           HG1      GLN 144  -3.602  -3.492   1.683
   64   HE21  GLN 144          HE21      GLN 144  -6.036  -2.349   3.874
   65   HE22  GLN 144          HE22      GLN 144  -5.405  -3.115   5.294
   66    H    DAB 145           HN       DAB 145  -0.971  -1.242   0.497
   67    HA   DAB 145           HA       DAB 145  -1.107  -3.652  -1.123
   68    HB2  DAB 145           HB1      DAB 145  -0.909  -2.020  -2.826
   69    HB3  DAB 145           HB2      DAB 145   0.679  -2.742  -2.637
   70    HG2  DAB 145           HG1      DAB 145  -0.027  -0.220  -1.209
   71    HG3  DAB 145           HG2      DAB 145   0.469  -0.202  -2.894
   72    HD1  DAB 145           HD1      DAB 145   2.171  -1.335  -0.772
   73    H    SER 146           HN       SER 146   1.521  -4.136  -1.560
   74    HA   SER 146           HA       SER 146   2.474  -5.198   0.777
   75    HB2  SER 146           HB2      SER 146   3.421  -5.897  -1.300
   76    HB3  SER 146           HB1      SER 146   3.959  -4.261  -1.678
   77    HG   SER 146           HG       SER 146   5.533  -5.891  -0.768
   78    H    MET 147           HN       MET 147   3.683  -4.528   2.480
   79    HA   MET 147           HA       MET 147   4.049  -1.730   2.925
   80    HB2  MET 147           HB2      MET 147   5.062  -4.144   4.435
   81    HB3  MET 147           HB1      MET 147   5.276  -2.484   4.975
   82    HG2  MET 147           HG2      MET 147   2.868  -2.201   5.106
   83    HG3  MET 147           HG1      MET 147   2.632  -3.845   4.521
   84    HE1  MET 147           HE1      MET 147   3.277  -5.999   5.847
   85    HE2  MET 147           HE2      MET 147   3.986  -6.008   7.462
   86    HE3  MET 147           HE3      MET 147   4.939  -5.455   6.085
   87    H    THR 148           HN       THR 148   5.995  -4.337   1.694
   88    HA   THR 148           HA       THR 148   8.449  -2.843   1.868
   89    HB   THR 148           HB       THR 148   9.144  -4.835   0.234
   90    HG1  THR 148           HG1      THR 148   7.837  -6.545   0.365
   91   HG21  THR 148          HG21      THR 148   9.756  -6.120   2.236
   92   HG22  THR 148          HG22      THR 148   8.681  -5.112   3.204
   93   HG23  THR 148          HG23      THR 148  10.099  -4.402   2.434
   94    H    GLU 149           HN       GLU 149   5.819  -2.527  -0.099
   95    HA   GLU 149           HA       GLU 149   7.161  -1.962  -2.558
   96    HB2  GLU 149           HB2      GLU 149   5.122  -1.165  -3.356
   97    HB3  GLU 149           HB1      GLU 149   4.612  -2.332  -2.149
   98    HG2  GLU 149           HG2      GLU 149   4.203  -0.569  -0.559
   99    HG3  GLU 149           HG1      GLU 149   4.817   0.630  -1.683
  100    H    PHE 150           HN       PHE 150   6.798  -0.406   0.437
  101    HA   PHE 150           HA       PHE 150   7.414   2.249  -0.569
  102    HB2  PHE 150           HB2      PHE 150   7.081   1.278   2.279
  103    HB3  PHE 150           HB1      PHE 150   7.189   2.957   1.764
  104    HD1  PHE 150           HD1      PHE 150   5.396   3.722   0.035
  105    HD2  PHE 150           HD2      PHE 150   5.008   0.312   2.548
  106    HE1  PHE 150           HE1      PHE 150   2.954   3.788  -0.258
  107    HE2  PHE 150           HE2      PHE 150   2.566   0.371   2.261
  108    HZ   PHE 150           HZ       PHE 150   1.537   2.109   0.854
  109    H    TYR 151           HN       TYR 151   8.913  -0.367   1.225
  110    HA   TYR 151           HA       TYR 151  11.375   1.064   1.631
  111    HB2  TYR 151           HB2      TYR 151  10.779  -1.888   1.939
  112    HB3  TYR 151           HB1      TYR 151  12.231  -1.070   2.500
  113    HD1  TYR 151           HD1      TYR 151   9.202  -2.361   3.535
  114    HD2  TYR 151           HD2      TYR 151  11.639   1.087   4.048
  115    HE1  TYR 151           HE1      TYR 151   8.091  -1.907   5.673
  116    HE2  TYR 151           HE2      TYR 151  10.536   1.550   6.197
  117    HH   TYR 151           HH       TYR 151   8.363   1.025   7.312
  118    H    HIS 152           HN       HIS 152  13.421   0.396   0.683
  119    HA   HIS 152           HA       HIS 152  13.089  -0.130  -2.149
  120    HB2  HIS 152           HB2      HIS 152  15.554   0.556  -0.537
  121    HB3  HIS 152           HB1      HIS 152  15.533   0.350  -2.284
  122    HD1  HIS 152           HD1      HIS 152  13.913   2.109  -3.590
  123    HD2  HIS 152           HD2      HIS 152  14.989   3.078   0.307
  124    HE1  HIS 152           HE1      HIS 152  13.457   4.572  -3.352
  125    HE2  HIS 152           HE2      HIS 152  13.980   5.100  -0.944
  Start of MODEL    9
    1    H1   GLY 139           HT1      GLY 139  -9.562   8.825  -0.719
    2    H2   GLY 139           HT2      GLY 139  -9.118   9.505   0.761
    3    H3   GLY 139           HT3      GLY 139  -9.971  10.425  -0.370
    4    HA2  GLY 139           HA1      GLY 139 -11.448   9.724   1.383
    5    HA3  GLY 139           HA2      GLY 139 -11.889   8.976  -0.146
    6    H    ARG 140           HN       ARG 140 -12.552   6.957   0.210
    7    HA   ARG 140           HA       ARG 140 -11.457   5.425   2.415
    8    HB2  ARG 140           HB2      ARG 140 -13.882   5.363   1.936
    9    HB3  ARG 140           HB1      ARG 140 -13.540   4.650   0.367
   10    HG2  ARG 140           HG2      ARG 140 -12.543   2.704   1.470
   11    HG3  ARG 140           HG1      ARG 140 -12.915   3.416   3.041
   12    HD2  ARG 140           HD2      ARG 140 -14.925   2.668   0.922
   13    HD3  ARG 140           HD1      ARG 140 -14.577   1.742   2.380
   14    HE   ARG 140           HE       ARG 140 -15.251   4.250   3.265
   15   HH11  ARG 140          HH11      ARG 140 -16.783   1.737   1.373
   16   HH12  ARG 140          HH12      ARG 140 -18.393   2.207   1.822
   17   HH21  ARG 140          HH21      ARG 140 -17.366   4.866   3.869
   18   HH22  ARG 140          HH22      ARG 140 -18.724   3.982   3.246
   19    H    LYS 141           HN       LYS 141  -9.514   4.573   2.062
   20    HA   LYS 141           HA       LYS 141  -9.207   2.682  -0.090
   21    HB2  LYS 141           HB2      LYS 141  -8.506   4.743  -1.200
   22    HB3  LYS 141           HB1      LYS 141  -7.394   5.095   0.113
   23    HG2  LYS 141           HG2      LYS 141  -6.189   4.237  -1.793
   24    HG3  LYS 141           HG1      LYS 141  -6.097   3.093  -0.455
   25    HD2  LYS 141           HD2      LYS 141  -6.484   1.897  -2.521
   26    HD3  LYS 141           HD1      LYS 141  -7.914   1.779  -1.496
   27    HE2  LYS 141           HE2      LYS 141  -9.029   3.489  -2.787
   28    HE3  LYS 141           HE1      LYS 141  -7.576   3.757  -3.749
   29    HZ1  LYS 141           HZ1      LYS 141  -9.166   2.394  -4.931
   30    HZ2  LYS 141           HZ2      LYS 141  -9.177   1.259  -3.682
   31    HZ3  LYS 141           HZ3      LYS 141  -7.773   1.498  -4.592
   32    H    ARG 142           HN       ARG 142  -8.915   1.095   1.407
   33    HA   ARG 142           HA       ARG 142  -7.007   1.251   3.524
   34    HB2  ARG 142           HB2      ARG 142  -8.209  -1.173   2.161
   35    HB3  ARG 142           HB1      ARG 142  -7.291  -1.204   3.659
   36    HG2  ARG 142           HG2      ARG 142  -9.005   0.151   4.744
   37    HG3  ARG 142           HG1      ARG 142  -9.925   0.195   3.239
   38    HD2  ARG 142           HD2      ARG 142 -10.846  -1.492   4.701
   39    HD3  ARG 142           HD1      ARG 142 -10.098  -2.261   3.303
   40    HE   ARG 142           HE       ARG 142  -8.228  -2.128   5.409
   41   HH11  ARG 142          HH11      ARG 142 -11.142  -3.815   4.476
   42   HH12  ARG 142          HH12      ARG 142 -10.787  -5.223   5.420
   43   HH21  ARG 142          HH21      ARG 142  -7.757  -3.970   6.665
   44   HH22  ARG 142          HH22      ARG 142  -8.858  -5.309   6.682
   45    H    ARG 143           HN       ARG 143  -4.890   0.482   3.559
   46    HA   ARG 143           HA       ARG 143  -3.626   0.455   0.947
   47    HB2  ARG 143           HB2      ARG 143  -2.432   0.465   3.722
   48    HB3  ARG 143           HB1      ARG 143  -1.508   0.563   2.229
   49    HG2  ARG 143           HG2      ARG 143  -2.668   2.656   1.669
   50    HG3  ARG 143           HG1      ARG 143  -3.534   2.568   3.203
   51    HD2  ARG 143           HD2      ARG 143  -0.545   2.763   2.866
   52    HD3  ARG 143           HD1      ARG 143  -1.617   4.083   3.331
   53    HE   ARG 143           HE       ARG 143  -1.807   1.805   5.070
   54   HH11  ARG 143          HH11      ARG 143  -0.003   4.727   4.396
   55   HH12  ARG 143          HH12      ARG 143   0.553   4.907   6.028
   56   HH21  ARG 143          HH21      ARG 143  -1.065   2.028   7.202
   57   HH22  ARG 143          HH22      ARG 143  -0.041   3.363   7.627
   58    H    GLN 144           HN       GLN 144  -4.875  -1.645   0.682
   59    HA   GLN 144           HA       GLN 144  -3.529  -3.974   1.812
   60    HB2  GLN 144           HB2      GLN 144  -5.859  -3.828  -0.109
   61    HB3  GLN 144           HB1      GLN 144  -5.299  -5.262   0.734
   62    HG2  GLN 144           HG2      GLN 144  -5.919  -4.275   2.865
   63    HG3  GLN 144           HG1      GLN 144  -6.441  -2.805   2.042
   64   HE21  GLN 144          HE21      GLN 144  -7.602  -4.289  -0.203
   65   HE22  GLN 144          HE22      GLN 144  -9.070  -4.974   0.400
   66    H    DAB 145           HN       DAB 145  -1.884  -2.468   0.279
   67    HA   DAB 145           HA       DAB 145  -1.738  -3.826  -2.316
   68    HB2  DAB 145           HB1      DAB 145  -2.034  -1.520  -2.707
   69    HB3  DAB 145           HB2      DAB 145  -0.335  -1.840  -2.995
   70    HG2  DAB 145           HG1      DAB 145  -1.273  -0.867  -0.337
   71    HG3  DAB 145           HG2      DAB 145  -1.015   0.244  -1.672
   72    HD1  DAB 145           HD1      DAB 145   1.161  -1.519  -0.778
   73    H    SER 146           HN       SER 146   0.809  -3.398  -3.061
   74    HA   SER 146           HA       SER 146   2.358  -5.316  -1.912
   75    HB2  SER 146           HB2      SER 146   3.042  -4.349  -3.979
   76    HB3  SER 146           HB1      SER 146   3.135  -2.737  -3.275
   77    HG   SER 146           HG       SER 146   5.172  -3.981  -3.607
   78    H    MET 147           HN       MET 147   3.623  -5.536  -0.145
   79    HA   MET 147           HA       MET 147   3.586  -3.522   1.892
   80    HB2  MET 147           HB2      MET 147   5.056  -6.144   1.628
   81    HB3  MET 147           HB1      MET 147   5.284  -5.072   3.003
   82    HG2  MET 147           HG2      MET 147   2.674  -6.307   2.157
   83    HG3  MET 147           HG1      MET 147   3.693  -6.856   3.486
   84    HE1  MET 147           HE1      MET 147   0.629  -6.242   3.920
   85    HE2  MET 147           HE2      MET 147   0.679  -5.316   5.419
   86    HE3  MET 147           HE3      MET 147   1.721  -6.725   5.219
   87    H    THR 148           HN       THR 148   5.543  -4.290  -0.791
   88    HA   THR 148           HA       THR 148   7.933  -3.025   0.098
   89    HB   THR 148           HB       THR 148   7.158  -3.558  -2.766
   90    HG1  THR 148           HG1      THR 148   8.422  -5.410  -1.006
   91   HG21  THR 148          HG21      THR 148   9.227  -2.305  -2.413
   92   HG22  THR 148          HG22      THR 148   9.569  -3.918  -3.037
   93   HG23  THR 148          HG23      THR 148   9.812  -3.563  -1.327
   94    H    GLU 149           HN       GLU 149   4.943  -1.865  -0.989
   95    HA   GLU 149           HA       GLU 149   5.828   0.481  -2.331
   96    HB2  GLU 149           HB2      GLU 149   3.591   1.198  -2.321
   97    HB3  GLU 149           HB1      GLU 149   3.476  -0.551  -2.389
   98    HG2  GLU 149           HG2      GLU 149   3.008  -0.631  -0.008
   99    HG3  GLU 149           HG1      GLU 149   3.167   1.114   0.096
  100    H    PHE 150           HN       PHE 150   5.638  -0.470   0.933
  101    HA   PHE 150           HA       PHE 150   5.771   2.243   1.975
  102    HB2  PHE 150           HB2      PHE 150   5.984  -0.404   3.432
  103    HB3  PHE 150           HB1      PHE 150   5.829   1.178   4.183
  104    HD1  PHE 150           HD1      PHE 150   3.698   2.486   3.780
  105    HD2  PHE 150           HD2      PHE 150   4.111  -1.637   2.819
  106    HE1  PHE 150           HE1      PHE 150   1.251   2.248   3.767
  107    HE2  PHE 150           HE2      PHE 150   1.663  -1.884   2.801
  108    HZ   PHE 150           HZ       PHE 150   0.229   0.060   3.275
  109    H    TYR 151           HN       TYR 151   7.830  -0.479   1.292
  110    HA   TYR 151           HA       TYR 151  10.003   0.455   2.924
  111    HB2  TYR 151           HB2      TYR 151   9.942  -1.754   0.863
  112    HB3  TYR 151           HB1      TYR 151  11.227  -1.471   2.029
  113    HD1  TYR 151           HD1      TYR 151   9.202  -3.893   1.482
  114    HD2  TYR 151           HD2      TYR 151   9.541  -0.861   4.446
  115    HE1  TYR 151           HE1      TYR 151   8.037  -5.340   3.088
  116    HE2  TYR 151           HE2      TYR 151   8.379  -2.302   6.059
  117    HH   TYR 151           HH       TYR 151   6.749  -4.227   5.967
  118    H    HIS 152           HN       HIS 152   9.155   0.541  -0.488
  119    HA   HIS 152           HA       HIS 152  11.205   2.552  -0.905
  120    HB2  HIS 152           HB2      HIS 152  12.322   0.368  -1.403
  121    HB3  HIS 152           HB1      HIS 152  11.114   0.078  -2.648
  122    HD1  HIS 152           HD1      HIS 152  14.315   1.756  -2.035
  123    HD2  HIS 152           HD2      HIS 152  11.293   1.913  -4.883
  124    HE1  HIS 152           HE1      HIS 152  15.308   2.957  -4.007
  125    HE2  HIS 152           HE2      HIS 152  13.415   3.174  -5.653
  Start of MODEL   10
    1    H1   GLY 139           HT1      GLY 139  -7.100   3.179  -2.941
    2    H2   GLY 139           HT2      GLY 139  -8.428   3.075  -3.982
    3    H3   GLY 139           HT3      GLY 139  -8.408   2.187  -2.544
    4    HA2  GLY 139           HA1      GLY 139  -8.476   5.142  -2.750
    5    HA3  GLY 139           HA2      GLY 139  -9.844   4.117  -2.341
    6    H    ARG 140           HN       ARG 140  -9.493   5.888  -0.508
    7    HA   ARG 140           HA       ARG 140  -7.494   5.374   1.436
    8    HB2  ARG 140           HB2      ARG 140  -8.809   6.831   2.899
    9    HB3  ARG 140           HB1      ARG 140  -8.676   7.528   1.291
   10    HG2  ARG 140           HG2      ARG 140 -10.934   6.668   0.778
   11    HG3  ARG 140           HG1      ARG 140 -11.063   6.102   2.442
   12    HD2  ARG 140           HD2      ARG 140 -10.821   8.382   3.248
   13    HD3  ARG 140           HD1      ARG 140 -10.631   8.960   1.595
   14    HE   ARG 140           HE       ARG 140 -13.089   7.568   2.382
   15   HH11  ARG 140          HH11      ARG 140 -11.494  10.485   1.279
   16   HH12  ARG 140          HH12      ARG 140 -12.976  11.280   0.860
   17   HH21  ARG 140          HH21      ARG 140 -15.031   8.601   1.827
   18   HH22  ARG 140          HH22      ARG 140 -14.996  10.207   1.169
   19    H    LYS 141           HN       LYS 141 -10.712   4.132   0.870
   20    HA   LYS 141           HA       LYS 141 -11.020   2.756   3.336
   21    HB2  LYS 141           HB2      LYS 141 -12.262   2.265   0.622
   22    HB3  LYS 141           HB1      LYS 141 -12.778   1.484   2.110
   23    HG2  LYS 141           HG2      LYS 141 -13.566   3.526   3.015
   24    HG3  LYS 141           HG1      LYS 141 -12.784   4.467   1.745
   25    HD2  LYS 141           HD2      LYS 141 -15.172   4.315   1.330
   26    HD3  LYS 141           HD1      LYS 141 -14.277   3.445   0.084
   27    HE2  LYS 141           HE2      LYS 141 -16.174   2.127   0.722
   28    HE3  LYS 141           HE1      LYS 141 -14.721   1.335   1.320
   29    HZ1  LYS 141           HZ1      LYS 141 -16.452   1.323   2.983
   30    HZ2  LYS 141           HZ2      LYS 141 -16.575   3.008   2.921
   31    HZ3  LYS 141           HZ3      LYS 141 -15.165   2.288   3.507
   32    H    ARG 142           HN       ARG 142  -9.320   1.488   3.875
   33    HA   ARG 142           HA       ARG 142  -7.869  -0.245   3.899
   34    HB2  ARG 142           HB2      ARG 142  -9.840  -1.413   1.929
   35    HB3  ARG 142           HB1      ARG 142  -8.516  -2.315   2.655
   36    HG2  ARG 142           HG2      ARG 142  -9.475  -1.897   4.878
   37    HG3  ARG 142           HG1      ARG 142 -10.817  -1.041   4.120
   38    HD2  ARG 142           HD2      ARG 142 -11.484  -3.062   2.959
   39    HD3  ARG 142           HD1      ARG 142 -10.094  -3.926   3.618
   40    HE   ARG 142           HE       ARG 142 -11.381  -3.045   5.831
   41   HH11  ARG 142          HH11      ARG 142 -12.401  -4.882   3.029
   42   HH12  ARG 142          HH12      ARG 142 -13.641  -5.739   3.884
   43   HH21  ARG 142          HH21      ARG 142 -13.003  -4.184   6.959
   44   HH22  ARG 142          HH22      ARG 142 -13.988  -5.336   6.119
   45    H    ARG 143           HN       ARG 143  -6.351   1.240   2.956
   46    HA   ARG 143           HA       ARG 143  -5.901   1.088   0.092
   47    HB2  ARG 143           HB2      ARG 143  -4.067   2.747   0.618
   48    HB3  ARG 143           HB1      ARG 143  -5.703   3.277   0.978
   49    HG2  ARG 143           HG2      ARG 143  -5.380   2.890   3.319
   50    HG3  ARG 143           HG1      ARG 143  -3.810   2.141   3.023
   51    HD2  ARG 143           HD2      ARG 143  -3.655   4.473   3.839
   52    HD3  ARG 143           HD1      ARG 143  -2.898   4.228   2.266
   53    HE   ARG 143           HE       ARG 143  -4.905   5.248   1.278
   54   HH11  ARG 143          HH11      ARG 143  -4.281   5.807   4.683
   55   HH12  ARG 143          HH12      ARG 143  -5.128   7.319   4.715
   56   HH21  ARG 143          HH21      ARG 143  -6.023   7.242   1.329
   57   HH22  ARG 143          HH22      ARG 143  -6.114   8.131   2.818
   58    H    GLN 144           HN       GLN 144  -5.501  -1.375   0.937
   59    HA   GLN 144           HA       GLN 144  -2.766  -1.842   1.717
   60    HB2  GLN 144           HB2      GLN 144  -4.670  -3.362   2.336
   61    HB3  GLN 144           HB1      GLN 144  -4.775  -3.835   0.646
   62    HG2  GLN 144           HG2      GLN 144  -3.544  -5.490   1.880
   63    HG3  GLN 144           HG1      GLN 144  -2.465  -4.668   0.755
   64   HE21  GLN 144          HE21      GLN 144  -3.580  -3.297   3.779
   65   HE22  GLN 144          HE22      GLN 144  -2.048  -3.316   4.573
   66    H    DAB 145           HN       DAB 145  -1.501  -0.908   0.163
   67    HA   DAB 145           HA       DAB 145  -1.810  -1.847  -2.602
   68    HB2  DAB 145           HB1      DAB 145  -1.959   0.506  -2.551
   69    HB3  DAB 145           HB2      DAB 145  -0.356   0.132  -3.160
   70    HG2  DAB 145           HG1      DAB 145  -0.993   0.934  -0.334
   71    HG3  DAB 145           HG2      DAB 145  -0.365   1.994  -1.584
   72    HD1  DAB 145           HD1      DAB 145   1.132  -0.301  -0.494
   73    H    SER 146           HN       SER 146  -0.618  -3.544  -0.739
   74    HA   SER 146           HA       SER 146   1.195  -4.892  -0.485
   75    HB2  SER 146           HB2      SER 146   1.976  -4.940  -2.661
   76    HB3  SER 146           HB1      SER 146   2.189  -3.194  -2.738
   77    HG   SER 146           HG       SER 146   4.211  -3.759  -2.477
   78    H    MET 147           HN       MET 147   2.294  -4.888   1.314
   79    HA   MET 147           HA       MET 147   2.972  -2.537   2.726
   80    HB2  MET 147           HB2      MET 147   4.076  -4.039   4.318
   81    HB3  MET 147           HB1      MET 147   2.497  -4.661   3.863
   82    HG2  MET 147           HG2      MET 147   3.568  -6.221   2.308
   83    HG3  MET 147           HG1      MET 147   5.146  -5.605   2.789
   84    HE1  MET 147           HE1      MET 147   5.026  -9.195   4.384
   85    HE2  MET 147           HE2      MET 147   5.901  -8.114   3.300
   86    HE3  MET 147           HE3      MET 147   4.301  -8.704   2.853
   87    H    THR 148           HN       THR 148   4.584  -4.388   0.324
   88    HA   THR 148           HA       THR 148   7.239  -3.602   1.028
   89    HB   THR 148           HB       THR 148   7.221  -4.385  -1.672
   90    HG1  THR 148           HG1      THR 148   5.113  -5.153  -1.487
   91   HG21  THR 148          HG21      THR 148   8.273  -6.425  -0.800
   92   HG22  THR 148          HG22      THR 148   7.734  -6.006   0.826
   93   HG23  THR 148          HG23      THR 148   8.908  -4.986  -0.004
   94    H    GLU 149           HN       GLU 149   4.695  -1.958  -0.402
   95    HA   GLU 149           HA       GLU 149   6.151  -0.387  -2.280
   96    HB2  GLU 149           HB2      GLU 149   4.214   0.901  -2.530
   97    HB3  GLU 149           HB1      GLU 149   3.591  -0.683  -2.107
   98    HG2  GLU 149           HG2      GLU 149   3.180   0.017   0.148
   99    HG3  GLU 149           HG1      GLU 149   3.965   1.560  -0.140
  100    H    PHE 150           HN       PHE 150   5.947  -0.449   1.102
  101    HA   PHE 150           HA       PHE 150   6.711   2.315   1.498
  102    HB2  PHE 150           HB2      PHE 150   6.410   0.003   3.419
  103    HB3  PHE 150           HB1      PHE 150   6.880   1.627   3.907
  104    HD1  PHE 150           HD1      PHE 150   5.277   3.529   3.386
  105    HD2  PHE 150           HD2      PHE 150   4.167  -0.573   3.216
  106    HE1  PHE 150           HE1      PHE 150   2.908   4.168   3.567
  107    HE2  PHE 150           HE2      PHE 150   1.798   0.058   3.394
  108    HZ   PHE 150           HZ       PHE 150   1.166   2.433   3.572
  109    H    TYR 151           HN       TYR 151   8.219  -0.698   0.990
  110    HA   TYR 151           HA       TYR 151  10.752   0.023   2.163
  111    HB2  TYR 151           HB2      TYR 151   9.981  -2.341   2.022
  112    HB3  TYR 151           HB1      TYR 151  10.067  -2.241   0.267
  113    HD1  TYR 151           HD1      TYR 151  12.222  -2.205  -0.874
  114    HD2  TYR 151           HD2      TYR 151  11.988  -2.482   3.363
  115    HE1  TYR 151           HE1      TYR 151  14.582  -2.877  -0.794
  116    HE2  TYR 151           HE2      TYR 151  14.345  -3.154   3.454
  117    HH   TYR 151           HH       TYR 151  16.463  -2.773   0.903
  118    H    HIS 152           HN       HIS 152  12.186   1.331   1.197
  119    HA   HIS 152           HA       HIS 152  11.840   2.035  -1.591
  120    HB2  HIS 152           HB2      HIS 152  12.428   3.743   0.154
  121    HB3  HIS 152           HB1      HIS 152  14.000   2.966   0.314
  122    HD1  HIS 152           HD1      HIS 152  15.782   3.639  -1.333
  123    HD2  HIS 152           HD2      HIS 152  11.995   4.954  -2.434
  124    HE1  HIS 152           HE1      HIS 152  16.135   5.127  -3.329
  125    HE2  HIS 152           HE2      HIS 152  13.830   5.886  -3.999
  Start of MODEL   11
    1    H1   GLY 139           HT1      GLY 139 -10.100   2.224   0.979
    2    H2   GLY 139           HT2      GLY 139 -11.285   2.518  -0.186
    3    H3   GLY 139           HT3      GLY 139 -11.696   1.738   1.255
    4    HA2  GLY 139           HA1      GLY 139 -12.418   4.049   1.269
    5    HA3  GLY 139           HA2      GLY 139 -11.230   3.711   2.522
    6    H    ARG 140           HN       ARG 140  -9.827   5.319   2.734
    7    HA   ARG 140           HA       ARG 140  -9.132   6.921   0.386
    8    HB2  ARG 140           HB2      ARG 140  -8.592   7.336   3.329
    9    HB3  ARG 140           HB1      ARG 140  -7.989   8.397   2.067
   10    HG2  ARG 140           HG2      ARG 140 -10.886   7.848   2.660
   11    HG3  ARG 140           HG1      ARG 140  -9.989   9.295   3.128
   12    HD2  ARG 140           HD2      ARG 140  -9.532   9.699   0.710
   13    HD3  ARG 140           HD1      ARG 140 -10.600   8.350   0.331
   14    HE   ARG 140           HE       ARG 140 -12.269   9.796   1.719
   15   HH11  ARG 140          HH11      ARG 140  -9.874  10.900  -0.577
   16   HH12  ARG 140          HH12      ARG 140 -10.769  12.312  -1.032
   17   HH21  ARG 140          HH21      ARG 140 -13.451  11.677   1.130
   18   HH22  ARG 140          HH22      ARG 140 -12.798  12.753  -0.061
   19    H    LYS 141           HN       LYS 141  -7.557   5.166   3.031
   20    HA   LYS 141           HA       LYS 141  -5.050   5.170   1.522
   21    HB2  LYS 141           HB2      LYS 141  -5.636   4.316   4.365
   22    HB3  LYS 141           HB1      LYS 141  -4.043   4.334   3.620
   23    HG2  LYS 141           HG2      LYS 141  -4.155   6.740   3.373
   24    HG3  LYS 141           HG1      LYS 141  -5.790   6.749   4.035
   25    HD2  LYS 141           HD2      LYS 141  -4.935   5.868   6.152
   26    HD3  LYS 141           HD1      LYS 141  -3.299   5.864   5.491
   27    HE2  LYS 141           HE2      LYS 141  -3.396   8.283   5.211
   28    HE3  LYS 141           HE1      LYS 141  -5.045   8.298   5.831
   29    HZ1  LYS 141           HZ1      LYS 141  -2.642   7.447   7.352
   30    HZ2  LYS 141           HZ2      LYS 141  -4.222   7.482   7.948
   31    HZ3  LYS 141           HZ3      LYS 141  -3.448   8.923   7.532
   32    H    ARG 142           HN       ARG 142  -4.704   3.524   0.219
   33    HA   ARG 142           HA       ARG 142  -6.284   1.176   0.231
   34    HB2  ARG 142           HB2      ARG 142  -5.263   2.125  -1.807
   35    HB3  ARG 142           HB1      ARG 142  -3.669   1.722  -1.189
   36    HG2  ARG 142           HG2      ARG 142  -4.337   0.089  -2.812
   37    HG3  ARG 142           HG1      ARG 142  -4.291  -0.661  -1.216
   38    HD2  ARG 142           HD2      ARG 142  -6.736  -0.371  -1.044
   39    HD3  ARG 142           HD1      ARG 142  -6.748   0.302  -2.671
   40    HE   ARG 142           HE       ARG 142  -5.511  -2.181  -2.826
   41   HH11  ARG 142          HH11      ARG 142  -8.655  -0.868  -2.041
   42   HH12  ARG 142          HH12      ARG 142  -9.518  -2.283  -2.551
   43   HH21  ARG 142          HH21      ARG 142  -6.645  -4.050  -3.512
   44   HH22  ARG 142          HH22      ARG 142  -8.375  -4.098  -3.383
   45    H    ARG 143           HN       ARG 143  -6.115  -0.492   1.541
   46    HA   ARG 143           HA       ARG 143  -3.742  -0.904   3.138
   47    HB2  ARG 143           HB2      ARG 143  -5.960  -1.178   4.149
   48    HB3  ARG 143           HB1      ARG 143  -6.340  -2.452   2.999
   49    HG2  ARG 143           HG2      ARG 143  -5.771  -3.452   5.093
   50    HG3  ARG 143           HG1      ARG 143  -4.477  -3.788   3.943
   51    HD2  ARG 143           HD2      ARG 143  -3.536  -3.178   6.086
   52    HD3  ARG 143           HD1      ARG 143  -3.177  -1.927   4.896
   53    HE   ARG 143           HE       ARG 143  -5.560  -1.309   6.299
   54   HH11  ARG 143          HH11      ARG 143  -2.087  -1.344   6.669
   55   HH12  ARG 143          HH12      ARG 143  -2.074  -0.099   7.874
   56   HH21  ARG 143          HH21      ARG 143  -5.565   0.315   7.878
   57   HH22  ARG 143          HH22      ARG 143  -4.064   0.844   8.574
   58    H    GLN 144           HN       GLN 144  -5.609  -2.777   0.762
   59    HA   GLN 144           HA       GLN 144  -3.537  -4.791   0.643
   60    HB2  GLN 144           HB2      GLN 144  -5.950  -5.396   0.547
   61    HB3  GLN 144           HB1      GLN 144  -6.066  -4.566  -1.000
   62    HG2  GLN 144           HG2      GLN 144  -5.847  -6.993  -1.252
   63    HG3  GLN 144           HG1      GLN 144  -4.513  -6.116  -1.997
   64   HE21  GLN 144          HE21      GLN 144  -3.104  -7.825  -1.914
   65   HE22  GLN 144          HE22      GLN 144  -2.433  -8.422  -0.438
   66    H    DAB 145           HN       DAB 145  -1.997  -3.096  -0.037
   67    HA   DAB 145           HA       DAB 145  -1.785  -3.221  -2.954
   68    HB2  DAB 145           HB1      DAB 145  -2.509  -0.976  -2.543
   69    HB3  DAB 145           HB2      DAB 145  -0.806  -0.939  -2.971
   70    HG2  DAB 145           HG1      DAB 145  -1.767  -0.897  -0.130
   71    HG3  DAB 145           HG2      DAB 145  -1.523   0.553  -1.091
   72    HD1  DAB 145           HD1      DAB 145   0.618  -1.348  -0.421
   73    H    SER 146           HN       SER 146  -0.734  -4.733  -0.712
   74    HA   SER 146           HA       SER 146   1.148  -5.797  -0.060
   75    HB2  SER 146           HB2      SER 146   3.008  -5.895  -1.429
   76    HB3  SER 146           HB1      SER 146   1.799  -5.318  -2.577
   77    HG   SER 146           HG       SER 146   2.538  -3.161  -2.051
   78    H    MET 147           HN       MET 147   2.514  -5.527   1.612
   79    HA   MET 147           HA       MET 147   2.686  -2.979   2.866
   80    HB2  MET 147           HB2      MET 147   4.027  -4.076   4.547
   81    HB3  MET 147           HB1      MET 147   2.707  -5.147   4.105
   82    HG2  MET 147           HG2      MET 147   4.226  -6.424   2.677
   83    HG3  MET 147           HG1      MET 147   5.547  -5.350   3.128
   84    HE1  MET 147           HE1      MET 147   6.439  -8.709   4.957
   85    HE2  MET 147           HE2      MET 147   7.007  -7.469   3.838
   86    HE3  MET 147           HE3      MET 147   5.675  -8.526   3.377
   87    H    THR 148           HN       THR 148   4.350  -4.314   0.271
   88    HA   THR 148           HA       THR 148   6.957  -3.307   0.980
   89    HB   THR 148           HB       THR 148   7.417  -3.979  -1.496
   90    HG1  THR 148           HG1      THR 148   5.274  -4.266  -2.163
   91   HG21  THR 148          HG21      THR 148   6.725  -6.003   0.632
   92   HG22  THR 148          HG22      THR 148   8.280  -5.194   0.421
   93   HG23  THR 148          HG23      THR 148   7.699  -6.326  -0.801
   94    H    GLU 149           HN       GLU 149   4.158  -1.969  -0.255
   95    HA   GLU 149           HA       GLU 149   5.300  -0.114  -2.086
   96    HB2  GLU 149           HB2      GLU 149   3.182   0.962  -2.099
   97    HB3  GLU 149           HB1      GLU 149   2.870  -0.760  -1.987
   98    HG2  GLU 149           HG2      GLU 149   2.462  -0.541   0.402
   99    HG3  GLU 149           HG1      GLU 149   2.791   1.182   0.306
  100    H    PHE 150           HN       PHE 150   5.228  -0.354   1.301
  101    HA   PHE 150           HA       PHE 150   5.522   2.498   1.764
  102    HB2  PHE 150           HB2      PHE 150   5.702   0.189   3.711
  103    HB3  PHE 150           HB1      PHE 150   5.617   1.897   4.135
  104    HD1  PHE 150           HD1      PHE 150   3.768  -1.058   3.509
  105    HD2  PHE 150           HD2      PHE 150   3.532   3.185   3.357
  106    HE1  PHE 150           HE1      PHE 150   1.314  -1.199   3.526
  107    HE2  PHE 150           HE2      PHE 150   1.076   3.054   3.374
  108    HZ   PHE 150           HZ       PHE 150  -0.038   0.858   3.457
  109    H    TYR 151           HN       TYR 151   7.471  -0.040   0.883
  110    HA   TYR 151           HA       TYR 151   9.900   0.888   2.155
  111    HB2  TYR 151           HB2      TYR 151   9.472  -1.520   1.656
  112    HB3  TYR 151           HB1      TYR 151   9.520  -1.143  -0.061
  113    HD1  TYR 151           HD1      TYR 151  11.601  -0.889   3.027
  114    HD2  TYR 151           HD2      TYR 151  11.531  -1.333  -1.205
  115    HE1  TYR 151           HE1      TYR 151  14.027  -1.274   3.033
  116    HE2  TYR 151           HE2      TYR 151  13.955  -1.716  -1.208
  117    HH   TYR 151           HH       TYR 151  15.902  -1.233   0.191
  118    H    HIS 152           HN       HIS 152   8.024   1.820  -0.432
  119    HA   HIS 152           HA       HIS 152  10.153   2.619  -2.219
  120    HB2  HIS 152           HB2      HIS 152   7.159   3.017  -2.283
  121    HB3  HIS 152           HB1      HIS 152   8.235   3.718  -3.485
  122    HD1  HIS 152           HD1      HIS 152   8.643   2.314  -5.483
  123    HD2  HIS 152           HD2      HIS 152   7.391   0.058  -2.229
  124    HE1  HIS 152           HE1      HIS 152   8.342  -0.023  -6.358
  125    HE2  HIS 152           HE2      HIS 152   7.452  -1.340  -4.403
  Start of MODEL   12
    1    H1   GLY 139           HT1      GLY 139 -15.974   2.665   1.475
    2    H2   GLY 139           HT2      GLY 139 -14.427   2.593   0.802
    3    H3   GLY 139           HT3      GLY 139 -15.037   4.066   1.356
    4    HA2  GLY 139           HA1      GLY 139 -15.034   3.274   3.618
    5    HA3  GLY 139           HA2      GLY 139 -14.456   1.713   3.057
    6    H    ARG 140           HN       ARG 140 -12.787   2.368   4.751
    7    HA   ARG 140           HA       ARG 140 -10.846   4.337   3.947
    8    HB2  ARG 140           HB2      ARG 140 -10.688   2.201   6.084
    9    HB3  ARG 140           HB1      ARG 140  -9.543   3.518   5.876
   10    HG2  ARG 140           HG2      ARG 140 -12.456   3.795   6.580
   11    HG3  ARG 140           HG1      ARG 140 -11.095   3.984   7.682
   12    HD2  ARG 140           HD2      ARG 140 -10.299   5.887   6.378
   13    HD3  ARG 140           HD1      ARG 140 -11.640   5.684   5.253
   14    HE   ARG 140           HE       ARG 140 -12.618   5.967   7.887
   15   HH11  ARG 140          HH11      ARG 140 -11.200   7.821   5.275
   16   HH12  ARG 140          HH12      ARG 140 -11.921   9.317   5.777
   17   HH21  ARG 140          HH21      ARG 140 -13.582   7.927   8.541
   18   HH22  ARG 140          HH22      ARG 140 -13.273   9.377   7.640
   19    H    LYS 141           HN       LYS 141 -11.381   0.971   3.442
   20    HA   LYS 141           HA       LYS 141  -8.708   0.366   2.589
   21    HB2  LYS 141           HB2      LYS 141 -11.330  -1.099   2.267
   22    HB3  LYS 141           HB1      LYS 141  -9.793  -1.727   1.686
   23    HG2  LYS 141           HG2      LYS 141  -8.925  -1.822   3.922
   24    HG3  LYS 141           HG1      LYS 141 -10.366  -1.022   4.556
   25    HD2  LYS 141           HD2      LYS 141 -11.737  -2.904   3.982
   26    HD3  LYS 141           HD1      LYS 141 -10.400  -3.676   3.126
   27    HE2  LYS 141           HE2      LYS 141 -10.780  -4.663   5.344
   28    HE3  LYS 141           HE1      LYS 141  -9.182  -3.938   5.198
   29    HZ1  LYS 141           HZ1      LYS 141 -11.529  -2.706   6.536
   30    HZ2  LYS 141           HZ2      LYS 141 -10.007  -1.992   6.377
   31    HZ3  LYS 141           HZ3      LYS 141 -10.187  -3.387   7.310
   32    H    ARG 142           HN       ARG 142  -8.442   2.168   1.133
   33    HA   ARG 142           HA       ARG 142 -10.004   2.107  -1.313
   34    HB2  ARG 142           HB2      ARG 142  -9.426   4.283  -0.325
   35    HB3  ARG 142           HB1      ARG 142  -7.716   3.906  -0.486
   36    HG2  ARG 142           HG2      ARG 142  -8.404   5.396  -2.252
   37    HG3  ARG 142           HG1      ARG 142  -7.982   3.820  -2.927
   38    HD2  ARG 142           HD2      ARG 142 -10.478   3.291  -2.763
   39    HD3  ARG 142           HD1      ARG 142 -10.703   5.024  -2.527
   40    HE   ARG 142           HE       ARG 142  -9.290   5.062  -4.743
   41   HH11  ARG 142          HH11      ARG 142 -11.967   2.990  -3.851
   42   HH12  ARG 142          HH12      ARG 142 -12.423   2.655  -5.493
   43   HH21  ARG 142          HH21      ARG 142  -9.879   4.619  -6.908
   44   HH22  ARG 142          HH22      ARG 142 -11.235   3.585  -7.231
   45    H    ARG 143           HN       ARG 143  -6.576   1.895  -0.405
   46    HA   ARG 143           HA       ARG 143  -6.131  -0.171  -2.355
   47    HB2  ARG 143           HB2      ARG 143  -5.985   1.999  -3.657
   48    HB3  ARG 143           HB1      ARG 143  -4.600   2.419  -2.663
   49    HG2  ARG 143           HG2      ARG 143  -3.817   1.545  -4.744
   50    HG3  ARG 143           HG1      ARG 143  -3.459   0.374  -3.472
   51    HD2  ARG 143           HD2      ARG 143  -5.440  -0.916  -4.112
   52    HD3  ARG 143           HD1      ARG 143  -5.789   0.252  -5.384
   53    HE   ARG 143           HE       ARG 143  -3.169  -0.768  -5.681
   54   HH11  ARG 143          HH11      ARG 143  -6.519  -1.682  -6.087
   55   HH12  ARG 143          HH12      ARG 143  -6.187  -2.827  -7.342
   56   HH21  ARG 143          HH21      ARG 143  -2.722  -2.278  -7.325
   57   HH22  ARG 143          HH22      ARG 143  -4.022  -3.168  -8.055
   58    H    GLN 144           HN       GLN 144  -5.556  -1.288  -0.444
   59    HA   GLN 144           HA       GLN 144  -3.366  -0.328   1.170
   60    HB2  GLN 144           HB2      GLN 144  -4.680  -3.052   1.175
   61    HB3  GLN 144           HB1      GLN 144  -3.624  -2.401   2.419
   62    HG2  GLN 144           HG2      GLN 144  -5.291  -0.653   2.888
   63    HG3  GLN 144           HG1      GLN 144  -6.359  -1.382   1.687
   64   HE21  GLN 144          HE21      GLN 144  -7.270  -3.416   2.111
   65   HE22  GLN 144          HE22      GLN 144  -7.360  -4.050   3.718
   66    H    DAB 145           HN       DAB 145  -1.746  -0.127  -0.445
   67    HA   DAB 145           HA       DAB 145  -0.915  -2.553  -1.816
   68    HB2  DAB 145           HB1      DAB 145  -1.103  -0.430  -3.073
   69    HB3  DAB 145           HB2      DAB 145   0.486  -1.168  -3.171
   70    HG2  DAB 145           HG1      DAB 145  -0.122   1.027  -1.228
   71    HG3  DAB 145           HG2      DAB 145   0.381   1.334  -2.885
   72    HD1  DAB 145           HD1      DAB 145   2.005  -0.062  -0.866
   73    H    SER 146           HN       SER 146  -0.449  -1.347   1.098
   74    HA   SER 146           HA       SER 146   0.937  -1.850   2.815
   75    HB2  SER 146           HB2      SER 146   2.347  -3.677   2.728
   76    HB3  SER 146           HB1      SER 146   1.299  -4.023   1.355
   77    HG   SER 146           HG       SER 146   2.881  -3.123  -0.014
   78    H    MET 147           HN       MET 147   2.728  -0.956   3.781
   79    HA   MET 147           HA       MET 147   4.037   1.152   2.370
   80    HB2  MET 147           HB2      MET 147   3.497   1.378   4.733
   81    HB3  MET 147           HB1      MET 147   4.505  -0.004   5.125
   82    HG2  MET 147           HG2      MET 147   5.514   2.194   5.656
   83    HG3  MET 147           HG1      MET 147   6.488   1.190   4.587
   84    HE1  MET 147           HE1      MET 147   4.037   4.303   4.765
   85    HE2  MET 147           HE2      MET 147   3.270   3.219   3.605
   86    HE3  MET 147           HE3      MET 147   3.956   4.749   3.062
   87    H    THR 148           HN       THR 148   4.533  -2.156   2.501
   88    HA   THR 148           HA       THR 148   7.402  -2.101   2.375
   89    HB   THR 148           HB       THR 148   6.784  -4.561   1.418
   90    HG1  THR 148           HG1      THR 148   4.495  -4.060   1.654
   91   HG21  THR 148          HG21      THR 148   8.234  -4.079   3.318
   92   HG22  THR 148          HG22      THR 148   7.078  -5.348   3.726
   93   HG23  THR 148          HG23      THR 148   6.826  -3.704   4.312
   94    H    GLU 149           HN       GLU 149   5.028  -1.259   0.198
   95    HA   GLU 149           HA       GLU 149   6.396  -2.079  -2.177
   96    HB2  GLU 149           HB2      GLU 149   4.902  -0.618  -3.367
   97    HB3  GLU 149           HB1      GLU 149   3.983  -1.490  -2.157
   98    HG2  GLU 149           HG2      GLU 149   4.105   0.509  -0.701
   99    HG3  GLU 149           HG1      GLU 149   4.888   1.370  -2.018
  100    H    PHE 150           HN       PHE 150   6.714   0.423   0.117
  101    HA   PHE 150           HA       PHE 150   8.583   1.930  -1.558
  102    HB2  PHE 150           HB2      PHE 150   7.457   2.548   1.185
  103    HB3  PHE 150           HB1      PHE 150   8.568   3.581   0.293
  104    HD1  PHE 150           HD1      PHE 150   7.801   4.512  -1.935
  105    HD2  PHE 150           HD2      PHE 150   5.154   2.704   0.860
  106    HE1  PHE 150           HE1      PHE 150   5.896   5.639  -3.015
  107    HE2  PHE 150           HE2      PHE 150   3.247   3.821  -0.214
  108    HZ   PHE 150           HZ       PHE 150   3.617   5.291  -2.155
  109    H    TYR 151           HN       TYR 151   9.180  -0.753  -0.507
  110    HA   TYR 151           HA       TYR 151  11.690  -0.185   0.794
  111    HB2  TYR 151           HB2      TYR 151  10.019  -0.196   2.666
  112    HB3  TYR 151           HB1      TYR 151   9.629  -1.858   2.250
  113    HD1  TYR 151           HD1      TYR 151  12.326   0.348   3.495
  114    HD2  TYR 151           HD2      TYR 151  10.963  -3.654   3.036
  115    HE1  TYR 151           HE1      TYR 151  14.114  -0.426   4.989
  116    HE2  TYR 151           HE2      TYR 151  12.751  -4.438   4.527
  117    HH   TYR 151           HH       TYR 151  14.961  -3.698   5.295
  118    H    HIS 152           HN       HIS 152  13.125  -1.549  -0.000
  119    HA   HIS 152           HA       HIS 152  14.101  -3.323  -1.023
  120    HB2  HIS 152           HB2      HIS 152  13.056  -4.559   0.924
  121    HB3  HIS 152           HB1      HIS 152  11.719  -4.964  -0.143
  122    HD1  HIS 152           HD1      HIS 152  15.201  -5.889   0.690
  123    HD2  HIS 152           HD2      HIS 152  12.363  -6.842  -2.191
  124    HE1  HIS 152           HE1      HIS 152  16.048  -7.973  -0.424
  125    HE2  HIS 152           HE2      HIS 152  14.216  -8.642  -2.012
  Start of MODEL   13
    1    H1   GLY 139           HT1      GLY 139  -1.333   8.127   4.160
    2    H2   GLY 139           HT2      GLY 139  -1.562   6.680   3.321
    3    H3   GLY 139           HT3      GLY 139  -2.432   6.982   4.742
    4    HA2  GLY 139           HA1      GLY 139  -3.599   8.801   3.695
    5    HA3  GLY 139           HA2      GLY 139  -2.681   8.528   2.223
    6    H    ARG 140           HN       ARG 140  -3.508   7.190   0.744
    7    HA   ARG 140           HA       ARG 140  -6.110   6.108   1.092
    8    HB2  ARG 140           HB2      ARG 140  -5.218   6.909  -1.082
    9    HB3  ARG 140           HB1      ARG 140  -4.098   5.555  -1.098
   10    HG2  ARG 140           HG2      ARG 140  -6.030   4.011  -1.100
   11    HG3  ARG 140           HG1      ARG 140  -7.104   5.407  -1.205
   12    HD2  ARG 140           HD2      ARG 140  -4.970   4.667  -3.206
   13    HD3  ARG 140           HD1      ARG 140  -6.700   4.390  -3.400
   14    HE   ARG 140           HE       ARG 140  -6.648   7.025  -3.008
   15   HH11  ARG 140          HH11      ARG 140  -4.685   4.993  -5.078
   16   HH12  ARG 140          HH12      ARG 140  -4.428   6.232  -6.264
   17   HH21  ARG 140          HH21      ARG 140  -6.297   8.661  -4.556
   18   HH22  ARG 140          HH22      ARG 140  -5.346   8.321  -5.965
   19    H    LYS 141           HN       LYS 141  -6.569   4.361   2.212
   20    HA   LYS 141           HA       LYS 141  -4.760   2.047   2.060
   21    HB2  LYS 141           HB2      LYS 141  -6.143   3.098   4.539
   22    HB3  LYS 141           HB1      LYS 141  -5.239   1.592   4.451
   23    HG2  LYS 141           HG2      LYS 141  -3.193   2.765   4.053
   24    HG3  LYS 141           HG1      LYS 141  -4.047   4.299   3.889
   25    HD2  LYS 141           HD2      LYS 141  -2.988   4.147   6.066
   26    HD3  LYS 141           HD1      LYS 141  -4.743   4.145   6.240
   27    HE2  LYS 141           HE2      LYS 141  -4.734   1.737   6.538
   28    HE3  LYS 141           HE1      LYS 141  -2.992   1.689   6.274
   29    HZ1  LYS 141           HZ1      LYS 141  -4.365   3.057   8.524
   30    HZ2  LYS 141           HZ2      LYS 141  -2.694   3.031   8.265
   31    HZ3  LYS 141           HZ3      LYS 141  -3.517   1.597   8.618
   32    H    ARG 142           HN       ARG 142  -6.657   2.004   0.327
   33    HA   ARG 142           HA       ARG 142  -8.990   0.654   1.513
   34    HB2  ARG 142           HB2      ARG 142  -9.417   2.703   0.155
   35    HB3  ARG 142           HB1      ARG 142  -8.718   1.890  -1.235
   36    HG2  ARG 142           HG2      ARG 142 -10.490   0.247  -1.210
   37    HG3  ARG 142           HG1      ARG 142 -11.160   0.958   0.259
   38    HD2  ARG 142           HD2      ARG 142 -11.558   3.053  -0.948
   39    HD3  ARG 142           HD1      ARG 142 -10.902   2.331  -2.413
   40    HE   ARG 142           HE       ARG 142 -13.141   0.923  -1.229
   41   HH11  ARG 142          HH11      ARG 142 -12.091   3.307  -3.558
   42   HH12  ARG 142          HH12      ARG 142 -13.538   3.215  -4.508
   43   HH21  ARG 142          HH21      ARG 142 -15.048   0.786  -2.467
   44   HH22  ARG 142          HH22      ARG 142 -15.226   1.768  -3.889
   45    H    ARG 143           HN       ARG 143  -6.207   0.209  -0.402
   46    HA   ARG 143           HA       ARG 143  -7.199  -2.404  -1.333
   47    HB2  ARG 143           HB2      ARG 143  -5.031  -0.654  -2.512
   48    HB3  ARG 143           HB1      ARG 143  -5.459  -2.255  -3.094
   49    HG2  ARG 143           HG2      ARG 143  -7.689  -1.467  -3.667
   50    HG3  ARG 143           HG1      ARG 143  -7.285   0.138  -3.057
   51    HD2  ARG 143           HD2      ARG 143  -7.098   0.061  -5.482
   52    HD3  ARG 143           HD1      ARG 143  -5.522   0.332  -4.740
   53    HE   ARG 143           HE       ARG 143  -5.743  -2.398  -5.092
   54   HH11  ARG 143          HH11      ARG 143  -5.789   0.432  -7.158
   55   HH12  ARG 143          HH12      ARG 143  -5.081  -0.389  -8.512
   56   HH21  ARG 143          HH21      ARG 143  -4.813  -3.479  -6.880
   57   HH22  ARG 143          HH22      ARG 143  -4.523  -2.607  -8.353
   58    H    GLN 144           HN       GLN 144  -6.018  -4.211  -0.884
   59    HA   GLN 144           HA       GLN 144  -3.974  -3.979   1.159
   60    HB2  GLN 144           HB2      GLN 144  -5.093  -6.449  -0.185
   61    HB3  GLN 144           HB1      GLN 144  -4.090  -6.418   1.258
   62    HG2  GLN 144           HG2      GLN 144  -5.854  -5.214   2.451
   63    HG3  GLN 144           HG1      GLN 144  -6.859  -5.270   1.006
   64   HE21  GLN 144          HE21      GLN 144  -4.786  -7.881   2.082
   65   HE22  GLN 144          HE22      GLN 144  -6.063  -8.974   2.485
   66    H    DAB 145           HN       DAB 145  -2.695  -2.767  -0.566
   67    HA   DAB 145           HA       DAB 145  -1.409  -4.539  -2.498
   68    HB2  DAB 145           HB1      DAB 145  -2.376  -2.453  -3.337
   69    HB3  DAB 145           HB2      DAB 145  -0.643  -2.534  -3.610
   70    HG2  DAB 145           HG1      DAB 145  -1.817  -1.075  -1.268
   71    HG3  DAB 145           HG2      DAB 145  -1.599  -0.328  -2.846
   72    HD1  DAB 145           HD1      DAB 145   0.594  -1.394  -1.194
   73    H    SER 146           HN       SER 146  -0.927  -4.021   0.531
   74    HA   SER 146           HA       SER 146   0.789  -4.290   1.982
   75    HB2  SER 146           HB2      SER 146   2.783  -5.267   1.328
   76    HB3  SER 146           HB1      SER 146   1.746  -5.704  -0.028
   77    HG   SER 146           HG       SER 146   2.596  -3.950  -1.186
   78    H    MET 147           HN       MET 147   2.193  -2.988   3.101
   79    HA   MET 147           HA       MET 147   2.382  -0.257   2.263
   80    HB2  MET 147           HB2      MET 147   3.705  -1.663   4.593
   81    HB3  MET 147           HB1      MET 147   3.619   0.077   4.362
   82    HG2  MET 147           HG2      MET 147   1.290  -1.776   4.798
   83    HG3  MET 147           HG1      MET 147   1.975  -0.658   5.974
   84    HE1  MET 147           HE1      MET 147  -1.554   0.851   5.048
   85    HE2  MET 147           HE2      MET 147  -0.542   0.237   6.356
   86    HE3  MET 147           HE3      MET 147  -1.128  -0.858   5.104
   87    H    THR 148           HN       THR 148   4.114  -3.009   1.504
   88    HA   THR 148           HA       THR 148   6.717  -1.782   1.406
   89    HB   THR 148           HB       THR 148   7.252  -3.937   0.046
   90    HG1  THR 148           HG1      THR 148   4.769  -4.310   0.010
   91   HG21  THR 148          HG21      THR 148   8.024  -3.553   2.312
   92   HG22  THR 148          HG22      THR 148   7.474  -5.219   2.138
   93   HG23  THR 148          HG23      THR 148   6.457  -4.033   2.955
   94    H    GLU 149           HN       GLU 149   3.982  -1.533  -0.487
   95    HA   GLU 149           HA       GLU 149   5.270  -1.247  -3.024
   96    HB2  GLU 149           HB2      GLU 149   3.207  -0.271  -3.790
   97    HB3  GLU 149           HB1      GLU 149   2.834  -1.661  -2.790
   98    HG2  GLU 149           HG2      GLU 149   2.354  -0.138  -0.913
   99    HG3  GLU 149           HG1      GLU 149   2.637   1.229  -1.981
  100    H    PHE 150           HN       PHE 150   4.948   0.662  -0.226
  101    HA   PHE 150           HA       PHE 150   5.837   3.099  -1.561
  102    HB2  PHE 150           HB2      PHE 150   5.378   2.641   1.395
  103    HB3  PHE 150           HB1      PHE 150   5.540   4.190   0.572
  104    HD1  PHE 150           HD1      PHE 150   3.763   4.638  -1.307
  105    HD2  PHE 150           HD2      PHE 150   3.278   1.844   1.864
  106    HE1  PHE 150           HE1      PHE 150   1.322   4.739  -1.597
  107    HE2  PHE 150           HE2      PHE 150   0.837   1.938   1.580
  108    HZ   PHE 150           HZ       PHE 150  -0.144   3.387  -0.151
  109    H    TYR 151           HN       TYR 151   7.045   0.349  -0.083
  110    HA   TYR 151           HA       TYR 151   9.094  -0.415   0.462
  111    HB2  TYR 151           HB2      TYR 151   9.980   2.059  -1.023
  112    HB3  TYR 151           HB1      TYR 151  11.089   0.832  -0.424
  113    HD1  TYR 151           HD1      TYR 151   8.507   1.594  -2.913
  114    HD2  TYR 151           HD2      TYR 151  11.210  -1.356  -1.466
  115    HE1  TYR 151           HE1      TYR 151   8.164   0.283  -4.963
  116    HE2  TYR 151           HE2      TYR 151  10.879  -2.670  -3.514
  117    HH   TYR 151           HH       TYR 151   9.285  -1.423  -6.275
  118    H    HIS 152           HN       HIS 152   7.600   1.544   2.164
  119    HA   HIS 152           HA       HIS 152   9.717   2.775   3.721
  120    HB2  HIS 152           HB2      HIS 152   7.548   3.947   3.360
  121    HB3  HIS 152           HB1      HIS 152   6.739   2.675   4.265
  122    HD1  HIS 152           HD1      HIS 152   6.378   3.219   6.651
  123    HD2  HIS 152           HD2      HIS 152   9.660   5.236   5.086
  124    HE1  HIS 152           HE1      HIS 152   7.207   4.700   8.506
  125    HE2  HIS 152           HE2      HIS 152   9.191   5.916   7.536
  Start of MODEL   14
    1    H1   GLY 139           HT1      GLY 139 -11.916   7.926   4.251
    2    H2   GLY 139           HT2      GLY 139 -11.172   6.423   4.453
    3    H3   GLY 139           HT3      GLY 139 -11.652   6.923   2.914
    4    HA2  GLY 139           HA1      GLY 139 -10.050   8.726   2.964
    5    HA3  GLY 139           HA2      GLY 139  -9.544   8.198   4.560
    6    H    ARG 140           HN       ARG 140  -9.174   5.620   4.480
    7    HA   ARG 140           HA       ARG 140  -6.944   5.301   2.677
    8    HB2  ARG 140           HB2      ARG 140  -8.095   3.552   4.852
    9    HB3  ARG 140           HB1      ARG 140  -6.699   3.096   3.886
   10    HG2  ARG 140           HG2      ARG 140  -5.437   4.950   4.732
   11    HG3  ARG 140           HG1      ARG 140  -6.851   5.582   5.577
   12    HD2  ARG 140           HD2      ARG 140  -6.878   3.727   7.065
   13    HD3  ARG 140           HD1      ARG 140  -5.660   2.872   6.122
   14    HE   ARG 140           HE       ARG 140  -4.235   4.948   6.788
   15   HH11  ARG 140          HH11      ARG 140  -6.620   3.344   8.796
   16   HH12  ARG 140          HH12      ARG 140  -5.780   3.678  10.278
   17   HH21  ARG 140          HH21      ARG 140  -3.121   5.368   8.733
   18   HH22  ARG 140          HH22      ARG 140  -3.789   4.825  10.241
   19    H    LYS 141           HN       LYS 141  -7.944   5.195   0.652
   20    HA   LYS 141           HA       LYS 141 -10.025   3.327   0.069
   21    HB2  LYS 141           HB2      LYS 141  -8.190   4.857  -1.780
   22    HB3  LYS 141           HB1      LYS 141  -9.627   3.975  -2.279
   23    HG2  LYS 141           HG2      LYS 141 -11.033   5.470  -1.012
   24    HG3  LYS 141           HG1      LYS 141  -9.615   6.313  -0.382
   25    HD2  LYS 141           HD2      LYS 141  -9.014   7.000  -2.649
   26    HD3  LYS 141           HD1      LYS 141 -10.415   6.140  -3.286
   27    HE2  LYS 141           HE2      LYS 141 -10.532   8.430  -1.330
   28    HE3  LYS 141           HE1      LYS 141 -10.789   8.572  -3.067
   29    HZ1  LYS 141           HZ1      LYS 141 -12.889   8.433  -1.948
   30    HZ2  LYS 141           HZ2      LYS 141 -12.442   7.004  -1.163
   31    HZ3  LYS 141           HZ3      LYS 141 -12.658   7.016  -2.841
   32    H    ARG 142           HN       ARG 142  -6.529   3.420  -0.479
   33    HA   ARG 142           HA       ARG 142  -6.603   0.522  -0.922
   34    HB2  ARG 142           HB2      ARG 142  -6.523   1.603  -3.140
   35    HB3  ARG 142           HB1      ARG 142  -5.067   2.464  -2.662
   36    HG2  ARG 142           HG2      ARG 142  -4.364   0.645  -3.982
   37    HG3  ARG 142           HG1      ARG 142  -3.987   0.215  -2.315
   38    HD2  ARG 142           HD2      ARG 142  -4.924  -1.711  -3.355
   39    HD3  ARG 142           HD1      ARG 142  -6.138  -1.065  -2.251
   40    HE   ARG 142           HE       ARG 142  -6.693   0.086  -4.679
   41   HH11  ARG 142          HH11      ARG 142  -6.425  -3.198  -3.486
   42   HH12  ARG 142          HH12      ARG 142  -7.567  -3.837  -4.619
   43   HH21  ARG 142          HH21      ARG 142  -8.203  -0.759  -6.175
   44   HH22  ARG 142          HH22      ARG 142  -8.577  -2.452  -6.150
   45    H    ARG 143           HN       ARG 143  -5.852   0.517   1.291
   46    HA   ARG 143           HA       ARG 143  -3.000   1.202   1.526
   47    HB2  ARG 143           HB2      ARG 143  -4.431   2.166   3.277
   48    HB3  ARG 143           HB1      ARG 143  -5.005   0.560   3.701
   49    HG2  ARG 143           HG2      ARG 143  -2.703  -0.067   4.330
   50    HG3  ARG 143           HG1      ARG 143  -2.182   1.579   3.975
   51    HD2  ARG 143           HD2      ARG 143  -2.549   1.259   6.366
   52    HD3  ARG 143           HD1      ARG 143  -3.680   2.435   5.699
   53    HE   ARG 143           HE       ARG 143  -5.079   0.133   5.574
   54   HH11  ARG 143          HH11      ARG 143  -3.262   1.614   8.175
   55   HH12  ARG 143          HH12      ARG 143  -4.298   0.998   9.423
   56   HH21  ARG 143          HH21      ARG 143  -6.459  -0.660   7.207
   57   HH22  ARG 143          HH22      ARG 143  -6.126  -0.293   8.869
   58    H    GLN 144           HN       GLN 144  -5.340  -1.373   1.601
   59    HA   GLN 144           HA       GLN 144  -3.457  -3.364   2.479
   60    HB2  GLN 144           HB2      GLN 144  -5.896  -3.524   2.959
   61    HB3  GLN 144           HB1      GLN 144  -6.191  -3.743   1.240
   62    HG2  GLN 144           HG2      GLN 144  -6.229  -5.860   2.456
   63    HG3  GLN 144           HG1      GLN 144  -4.939  -5.814   1.254
   64   HE21  GLN 144          HE21      GLN 144  -5.705  -5.814   4.642
   65   HE22  GLN 144          HE22      GLN 144  -4.105  -6.152   5.207
   66    H    DAB 145           HN       DAB 145  -1.846  -2.891   0.905
   67    HA   DAB 145           HA       DAB 145  -2.208  -4.497  -1.497
   68    HB2  DAB 145           HB1      DAB 145  -2.526  -2.361  -2.433
   69    HB3  DAB 145           HB2      DAB 145  -0.847  -2.752  -2.765
   70    HG2  DAB 145           HG1      DAB 145  -1.637  -1.134  -0.377
   71    HG3  DAB 145           HG2      DAB 145  -1.409  -0.407  -1.960
   72    HD1  DAB 145           HD1      DAB 145   0.756  -1.927  -0.672
   73    H    SER 146           HN       SER 146   0.314  -4.286  -2.562
   74    HA   SER 146           HA       SER 146   1.925  -5.953  -1.149
   75    HB2  SER 146           HB2      SER 146   2.508  -5.370  -3.400
   76    HB3  SER 146           HB1      SER 146   2.710  -3.673  -2.974
   77    HG   SER 146           HG       SER 146   4.481  -5.722  -2.812
   78    H    MET 147           HN       MET 147   3.137  -5.869   0.640
   79    HA   MET 147           HA       MET 147   3.224  -3.561   2.284
   80    HB2  MET 147           HB2      MET 147   3.377  -5.873   3.169
   81    HB3  MET 147           HB1      MET 147   4.951  -6.044   2.406
   82    HG2  MET 147           HG2      MET 147   5.813  -4.225   3.797
   83    HG3  MET 147           HG1      MET 147   4.240  -4.090   4.579
   84    HE1  MET 147           HE1      MET 147   6.905  -4.442   6.236
   85    HE2  MET 147           HE2      MET 147   6.393  -5.642   7.422
   86    HE3  MET 147           HE3      MET 147   5.299  -4.339   6.955
   87    H    THR 148           HN       THR 148   5.269  -4.881  -0.207
   88    HA   THR 148           HA       THR 148   7.510  -3.202   0.464
   89    HB   THR 148           HB       THR 148   8.395  -4.002  -1.794
   90    HG1  THR 148           HG1      THR 148   5.920  -4.826  -2.083
   91   HG21  THR 148          HG21      THR 148   9.093  -4.977   0.332
   92   HG22  THR 148          HG22      THR 148   8.951  -6.220  -0.910
   93   HG23  THR 148          HG23      THR 148   7.693  -6.048   0.313
   94    H    GLU 149           HN       GLU 149   4.576  -2.504  -0.889
   95    HA   GLU 149           HA       GLU 149   5.431  -0.623  -2.861
   96    HB2  GLU 149           HB2      GLU 149   3.204   0.037  -3.045
   97    HB3  GLU 149           HB1      GLU 149   3.052  -1.630  -2.525
   98    HG2  GLU 149           HG2      GLU 149   2.650  -0.915  -0.251
   99    HG3  GLU 149           HG1      GLU 149   2.874   0.761  -0.716
  100    H    PHE 150           HN       PHE 150   5.169  -0.689   0.551
  101    HA   PHE 150           HA       PHE 150   5.478   2.196   0.838
  102    HB2  PHE 150           HB2      PHE 150   5.383   0.045   2.973
  103    HB3  PHE 150           HB1      PHE 150   5.283   1.782   3.238
  104    HD1  PHE 150           HD1      PHE 150   3.303   3.000   2.082
  105    HD2  PHE 150           HD2      PHE 150   3.445  -1.195   2.778
  106    HE1  PHE 150           HE1      PHE 150   0.853   2.891   1.905
  107    HE2  PHE 150           HE2      PHE 150   0.995  -1.312   2.596
  108    HZ   PHE 150           HZ       PHE 150  -0.305   0.733   2.161
  109    H    TYR 151           HN       TYR 151   7.533   1.301  -0.549
  110    HA   TYR 151           HA       TYR 151   9.690   0.292   1.060
  111    HB2  TYR 151           HB2      TYR 151   9.248  -0.183  -1.419
  112    HB3  TYR 151           HB1      TYR 151   9.888   1.425  -1.731
  113    HD1  TYR 151           HD1      TYR 151  12.152   1.642  -2.176
  114    HD2  TYR 151           HD2      TYR 151  10.800  -1.735   0.024
  115    HE1  TYR 151           HE1      TYR 151  14.426   0.711  -2.217
  116    HE2  TYR 151           HE2      TYR 151  13.064  -2.673  -0.010
  117    HH   TYR 151           HH       TYR 151  15.798  -0.850  -1.037
  118    H    HIS 152           HN       HIS 152  10.068   1.840   2.640
  119    HA   HIS 152           HA       HIS 152  10.512   4.603   1.926
  120    HB2  HIS 152           HB2      HIS 152  10.833   3.155   4.562
  121    HB3  HIS 152           HB1      HIS 152  11.035   4.888   4.348
  122    HD1  HIS 152           HD1      HIS 152   8.453   2.233   4.634
  123    HD2  HIS 152           HD2      HIS 152   8.634   6.329   3.962
  124    HE1  HIS 152           HE1      HIS 152   6.106   3.072   4.942
  125    HE2  HIS 152           HE2      HIS 152   6.208   5.516   4.342
  Start of MODEL   15
    1    H1   GLY 139           HT1      GLY 139  -7.681   3.017  -2.853
    2    H2   GLY 139           HT2      GLY 139  -7.143   4.464  -3.538
    3    H3   GLY 139           HT3      GLY 139  -7.932   3.319  -4.496
    4    HA2  GLY 139           HA1      GLY 139  -9.445   5.097  -4.014
    5    HA3  GLY 139           HA2      GLY 139  -9.968   3.623  -3.215
    6    H    ARG 140           HN       ARG 140 -11.164   4.914  -1.720
    7    HA   ARG 140           HA       ARG 140  -9.769   6.866  -0.117
    8    HB2  ARG 140           HB2      ARG 140 -11.923   7.200   0.996
    9    HB3  ARG 140           HB1      ARG 140 -12.092   7.259  -0.752
   10    HG2  ARG 140           HG2      ARG 140 -12.952   4.969  -0.747
   11    HG3  ARG 140           HG1      ARG 140 -12.779   4.914   1.008
   12    HD2  ARG 140           HD2      ARG 140 -14.539   6.808  -0.540
   13    HD3  ARG 140           HD1      ARG 140 -15.084   5.394   0.359
   14    HE   ARG 140           HE       ARG 140 -13.659   6.987   2.130
   15   HH11  ARG 140          HH11      ARG 140 -16.586   7.203   0.223
   16   HH12  ARG 140          HH12      ARG 140 -17.381   8.281   1.324
   17   HH21  ARG 140          HH21      ARG 140 -14.695   8.414   3.582
   18   HH22  ARG 140          HH22      ARG 140 -16.304   8.971   3.240
   19    H    LYS 141           HN       LYS 141 -10.848   3.553   0.252
   20    HA   LYS 141           HA       LYS 141  -9.535   3.517   2.884
   21    HB2  LYS 141           HB2      LYS 141 -11.129   1.714   3.537
   22    HB3  LYS 141           HB1      LYS 141 -11.904   3.266   3.263
   23    HG2  LYS 141           HG2      LYS 141 -12.538   2.479   0.991
   24    HG3  LYS 141           HG1      LYS 141 -11.894   0.891   1.415
   25    HD2  LYS 141           HD2      LYS 141 -13.482   0.790   3.302
   26    HD3  LYS 141           HD1      LYS 141 -14.152   2.343   2.794
   27    HE2  LYS 141           HE2      LYS 141 -14.668   1.308   0.582
   28    HE3  LYS 141           HE1      LYS 141 -14.172  -0.246   1.252
   29    HZ1  LYS 141           HZ1      LYS 141 -16.526  -0.065   1.424
   30    HZ2  LYS 141           HZ2      LYS 141 -16.424   1.454   2.160
   31    HZ3  LYS 141           HZ3      LYS 141 -15.891   0.079   2.984
   32    H    ARG 142           HN       ARG 142  -7.820   2.208   2.970
   33    HA   ARG 142           HA       ARG 142  -7.696  -0.163   1.320
   34    HB2  ARG 142           HB2      ARG 142  -5.463   0.605   0.343
   35    HB3  ARG 142           HB1      ARG 142  -6.921   1.304  -0.342
   36    HG2  ARG 142           HG2      ARG 142  -6.594   3.312   1.017
   37    HG3  ARG 142           HG1      ARG 142  -5.122   2.611   1.688
   38    HD2  ARG 142           HD2      ARG 142  -4.105   2.571  -0.506
   39    HD3  ARG 142           HD1      ARG 142  -5.595   3.163  -1.238
   40    HE   ARG 142           HE       ARG 142  -5.136   5.156   0.382
   41   HH11  ARG 142          HH11      ARG 142  -2.785   3.354  -1.490
   42   HH12  ARG 142          HH12      ARG 142  -1.686   4.688  -1.623
   43   HH21  ARG 142          HH21      ARG 142  -3.693   6.913   0.195
   44   HH22  ARG 142          HH22      ARG 142  -2.195   6.709  -0.659
   45    H    ARG 143           HN       ARG 143  -7.065  -1.625   2.738
   46    HA   ARG 143           HA       ARG 143  -4.900  -0.989   4.602
   47    HB2  ARG 143           HB2      ARG 143  -5.348  -3.217   5.575
   48    HB3  ARG 143           HB1      ARG 143  -6.781  -2.200   5.567
   49    HG2  ARG 143           HG2      ARG 143  -7.666  -3.389   3.669
   50    HG3  ARG 143           HG1      ARG 143  -6.189  -4.347   3.540
   51    HD2  ARG 143           HD2      ARG 143  -7.930  -5.626   4.642
   52    HD3  ARG 143           HD1      ARG 143  -6.616  -5.281   5.763
   53    HE   ARG 143           HE       ARG 143  -8.954  -3.520   5.776
   54   HH11  ARG 143          HH11      ARG 143  -7.100  -6.054   7.322
   55   HH12  ARG 143          HH12      ARG 143  -7.880  -5.863   8.858
   56   HH21  ARG 143          HH21      ARG 143  -9.991  -3.277   7.797
   57   HH22  ARG 143          HH22      ARG 143  -9.531  -4.294   9.127
   58    H    GLN 144           HN       GLN 144  -5.657  -2.742   1.725
   59    HA   GLN 144           HA       GLN 144  -2.973  -3.883   1.574
   60    HB2  GLN 144           HB2      GLN 144  -4.824  -5.357   0.968
   61    HB3  GLN 144           HB1      GLN 144  -5.390  -4.192  -0.221
   62    HG2  GLN 144           HG2      GLN 144  -3.364  -4.518  -1.527
   63    HG3  GLN 144           HG1      GLN 144  -2.761  -5.656  -0.323
   64   HE21  GLN 144          HE21      GLN 144  -3.347  -6.031  -3.172
   65   HE22  GLN 144          HE22      GLN 144  -4.488  -7.329  -3.253
   66    H    DAB 145           HN       DAB 145  -1.477  -2.539   0.849
   67    HA   DAB 145           HA       DAB 145  -2.092  -0.878  -1.486
   68    HB2  DAB 145           HB1      DAB 145  -2.264   0.637   0.353
   69    HB3  DAB 145           HB2      DAB 145  -0.753   0.965  -0.481
   70    HG2  DAB 145           HG1      DAB 145  -0.918  -0.751   1.975
   71    HG3  DAB 145           HG2      DAB 145  -0.676   0.989   2.022
   72    HD1  DAB 145           HD1      DAB 145   1.191  -0.830   0.653
   73    H    SER 146           HN       SER 146  -0.712  -3.409  -1.032
   74    HA   SER 146           HA       SER 146   1.029  -4.558  -1.897
   75    HB2  SER 146           HB2      SER 146   2.345  -3.700  -3.590
   76    HB3  SER 146           HB1      SER 146   0.993  -2.570  -3.646
   77    HG   SER 146           HG       SER 146   2.240  -1.164  -2.303
   78    H    MET 147           HN       MET 147   2.852  -5.342  -1.020
   79    HA   MET 147           HA       MET 147   3.895  -4.159   1.345
   80    HB2  MET 147           HB2      MET 147   5.435  -6.019   1.393
   81    HB3  MET 147           HB1      MET 147   3.856  -6.617   0.907
   82    HG2  MET 147           HG2      MET 147   4.602  -6.582  -1.442
   83    HG3  MET 147           HG1      MET 147   6.199  -6.073  -0.903
   84    HE1  MET 147           HE1      MET 147   7.304  -9.213   1.224
   85    HE2  MET 147           HE2      MET 147   6.384  -7.844   1.846
   86    HE3  MET 147           HE3      MET 147   7.725  -7.573   0.733
   87    H    THR 148           HN       THR 148   4.335  -3.393  -1.849
   88    HA   THR 148           HA       THR 148   7.161  -2.933  -1.858
   89    HB   THR 148           HB       THR 148   5.322  -1.661  -3.839
   90    HG1  THR 148           HG1      THR 148   6.051  -4.342  -4.245
   91   HG21  THR 148          HG21      THR 148   7.969  -3.099  -4.044
   92   HG22  THR 148          HG22      THR 148   7.726  -1.353  -4.081
   93   HG23  THR 148          HG23      THR 148   7.107  -2.358  -5.391
   94    H    GLU 149           HN       GLU 149   4.450  -1.257  -0.699
   95    HA   GLU 149           HA       GLU 149   5.475   1.388  -1.015
   96    HB2  GLU 149           HB2      GLU 149   3.709   2.100   0.423
   97    HB3  GLU 149           HB1      GLU 149   3.060   0.853  -0.626
   98    HG2  GLU 149           HG2      GLU 149   3.290  -0.776   1.189
   99    HG3  GLU 149           HG1      GLU 149   3.902   0.493   2.239
  100    H    PHE 150           HN       PHE 150   6.166  -1.208   1.042
  101    HA   PHE 150           HA       PHE 150   7.263   0.438   3.169
  102    HB2  PHE 150           HB2      PHE 150   7.329  -2.568   2.843
  103    HB3  PHE 150           HB1      PHE 150   7.732  -1.667   4.301
  104    HD1  PHE 150           HD1      PHE 150   5.712   0.093   4.909
  105    HD2  PHE 150           HD2      PHE 150   5.316  -3.648   2.923
  106    HE1  PHE 150           HE1      PHE 150   3.367  -0.044   5.643
  107    HE2  PHE 150           HE2      PHE 150   2.971  -3.793   3.649
  108    HZ   PHE 150           HZ       PHE 150   1.994  -1.988   5.010
  109    H    TYR 151           HN       TYR 151   8.244  -0.681   0.197
  110    HA   TYR 151           HA       TYR 151  11.003  -1.193   0.848
  111    HB2  TYR 151           HB2      TYR 151   9.880  -2.330  -1.053
  112    HB3  TYR 151           HB1      TYR 151   9.707  -0.772  -1.852
  113    HD1  TYR 151           HD1      TYR 151  11.421   0.051  -3.228
  114    HD2  TYR 151           HD2      TYR 151  12.255  -3.141  -0.542
  115    HE1  TYR 151           HE1      TYR 151  13.635  -0.229  -4.260
  116    HE2  TYR 151           HE2      TYR 151  14.470  -3.429  -1.563
  117    HH   TYR 151           HH       TYR 151  15.591  -2.951  -3.700
  118    H    HIS 152           HN       HIS 152  11.800   0.627   1.791
  119    HA   HIS 152           HA       HIS 152  12.539   2.741  -0.012
  120    HB2  HIS 152           HB2      HIS 152  11.794   4.525   1.688
  121    HB3  HIS 152           HB1      HIS 152  10.569   3.832   0.638
  122    HD1  HIS 152           HD1      HIS 152   8.533   2.959   1.762
  123    HD2  HIS 152           HD2      HIS 152  11.718   3.367   4.400
  124    HE1  HIS 152           HE1      HIS 152   7.594   2.464   4.043
  125    HE2  HIS 152           HE2      HIS 152   9.509   2.845   5.636
  Start of MODEL   16
    1    H1   GLY 139           HT1      GLY 139 -14.806   3.500   1.425
    2    H2   GLY 139           HT2      GLY 139 -15.211   2.270   2.515
    3    H3   GLY 139           HT3      GLY 139 -13.732   2.227   1.701
    4    HA2  GLY 139           HA1      GLY 139 -14.533   4.284   3.670
    5    HA3  GLY 139           HA2      GLY 139 -13.458   2.933   4.002
    6    H    ARG 140           HN       ARG 140 -12.073   4.844   4.626
    7    HA   ARG 140           HA       ARG 140 -10.993   6.492   2.576
    8    HB2  ARG 140           HB2      ARG 140  -9.831   5.805   5.283
    9    HB3  ARG 140           HB1      ARG 140  -9.298   7.115   4.242
   10    HG2  ARG 140           HG2      ARG 140 -11.537   8.138   4.445
   11    HG3  ARG 140           HG1      ARG 140 -11.981   6.862   5.580
   12    HD2  ARG 140           HD2      ARG 140 -11.317   8.848   6.793
   13    HD3  ARG 140           HD1      ARG 140 -10.136   7.563   7.052
   14    HE   ARG 140           HE       ARG 140  -9.373   9.230   4.879
   15   HH11  ARG 140          HH11      ARG 140  -9.466   9.111   8.376
   16   HH12  ARG 140          HH12      ARG 140  -8.154  10.229   8.573
   17   HH21  ARG 140          HH21      ARG 140  -7.638  10.690   5.141
   18   HH22  ARG 140          HH22      ARG 140  -7.117  11.129   6.737
   19    H    LYS 141           HN       LYS 141  -9.745   3.647   4.295
   20    HA   LYS 141           HA       LYS 141  -7.519   3.423   2.467
   21    HB2  LYS 141           HB2      LYS 141  -7.246   2.867   4.859
   22    HB3  LYS 141           HB1      LYS 141  -8.417   1.570   4.685
   23    HG2  LYS 141           HG2      LYS 141  -6.217   0.630   4.673
   24    HG3  LYS 141           HG1      LYS 141  -6.902   0.478   3.057
   25    HD2  LYS 141           HD2      LYS 141  -4.599   1.162   2.876
   26    HD3  LYS 141           HD1      LYS 141  -5.635   2.500   2.379
   27    HE2  LYS 141           HE2      LYS 141  -5.341   3.569   4.530
   28    HE3  LYS 141           HE1      LYS 141  -4.399   2.199   5.114
   29    HZ1  LYS 141           HZ1      LYS 141  -3.635   4.027   2.902
   30    HZ2  LYS 141           HZ2      LYS 141  -2.732   2.694   3.420
   31    HZ3  LYS 141           HZ3      LYS 141  -2.967   4.009   4.454
   32    H    ARG 142           HN       ARG 142  -8.770   3.184   0.525
   33    HA   ARG 142           HA       ARG 142  -9.977   0.530   0.204
   34    HB2  ARG 142           HB2      ARG 142 -11.368   2.379  -0.555
   35    HB3  ARG 142           HB1      ARG 142 -10.071   2.969  -1.582
   36    HG2  ARG 142           HG2      ARG 142 -11.763   1.816  -2.884
   37    HG3  ARG 142           HG1      ARG 142 -10.224   0.958  -2.950
   38    HD2  ARG 142           HD2      ARG 142 -11.973  -0.652  -2.667
   39    HD3  ARG 142           HD1      ARG 142 -11.058  -0.557  -1.166
   40    HE   ARG 142           HE       ARG 142 -13.297   1.182  -1.103
   41   HH11  ARG 142          HH11      ARG 142 -12.376  -2.181  -0.800
   42   HH12  ARG 142          HH12      ARG 142 -13.782  -2.615   0.117
   43   HH21  ARG 142          HH21      ARG 142 -15.151   0.611   0.115
   44   HH22  ARG 142          HH22      ARG 142 -15.361  -1.032   0.630
   45    H    ARG 143           HN       ARG 143  -7.441   2.636  -0.993
   46    HA   ARG 143           HA       ARG 143  -6.443   0.544  -2.767
   47    HB2  ARG 143           HB2      ARG 143  -6.550   2.860  -3.606
   48    HB3  ARG 143           HB1      ARG 143  -5.475   3.373  -2.315
   49    HG2  ARG 143           HG2      ARG 143  -3.712   1.920  -3.233
   50    HG3  ARG 143           HG1      ARG 143  -4.797   1.481  -4.556
   51    HD2  ARG 143           HD2      ARG 143  -3.783   4.247  -3.916
   52    HD3  ARG 143           HD1      ARG 143  -3.265   3.228  -5.259
   53    HE   ARG 143           HE       ARG 143  -5.892   3.400  -5.707
   54   HH11  ARG 143          HH11      ARG 143  -3.530   5.863  -4.947
   55   HH12  ARG 143          HH12      ARG 143  -4.360   7.114  -5.818
   56   HH21  ARG 143          HH21      ARG 143  -6.996   5.027  -6.848
   57   HH22  ARG 143          HH22      ARG 143  -6.333   6.630  -6.918
   58    H    GLN 144           HN       GLN 144  -5.447  -0.985  -1.576
   59    HA   GLN 144           HA       GLN 144  -3.221  -0.120   0.120
   60    HB2  GLN 144           HB2      GLN 144  -5.113  -0.569   1.607
   61    HB3  GLN 144           HB1      GLN 144  -5.310  -2.163   0.895
   62    HG2  GLN 144           HG2      GLN 144  -3.147  -2.841   1.750
   63    HG3  GLN 144           HG1      GLN 144  -2.890  -1.229   2.417
   64   HE21  GLN 144          HE21      GLN 144  -2.668  -2.051   4.485
   65   HE22  GLN 144          HE22      GLN 144  -4.018  -2.623   5.403
   66    H    DAB 145           HN       DAB 145  -1.421  -1.283  -0.114
   67    HA   DAB 145           HA       DAB 145  -1.571  -3.956  -1.254
   68    HB2  DAB 145           HB1      DAB 145  -1.134  -2.691  -3.204
   69    HB3  DAB 145           HB2      DAB 145   0.393  -3.417  -2.731
   70    HG2  DAB 145           HG1      DAB 145  -0.304  -0.643  -1.880
   71    HG3  DAB 145           HG2      DAB 145   0.340  -0.969  -3.482
   72    HD1  DAB 145           HD1      DAB 145   1.795  -1.745  -1.041
   73    H    SER 146           HN       SER 146   0.963  -4.708  -1.348
   74    HA   SER 146           HA       SER 146   1.763  -5.330   1.180
   75    HB2  SER 146           HB2      SER 146   2.765  -6.408  -0.722
   76    HB3  SER 146           HB1      SER 146   3.430  -4.886  -1.307
   77    HG   SER 146           HG       SER 146   5.086  -5.913  -0.301
   78    H    MET 147           HN       MET 147   2.793  -4.338   2.839
   79    HA   MET 147           HA       MET 147   3.397  -1.542   2.676
   80    HB2  MET 147           HB2      MET 147   4.008  -3.555   4.853
   81    HB3  MET 147           HB1      MET 147   4.239  -1.818   4.998
   82    HG2  MET 147           HG2      MET 147   1.628  -3.266   4.623
   83    HG3  MET 147           HG1      MET 147   2.197  -2.469   6.088
   84    HE1  MET 147           HE1      MET 147   3.507   0.206   4.879
   85    HE2  MET 147           HE2      MET 147   2.495   0.153   6.321
   86    HE3  MET 147           HE3      MET 147   2.136   1.307   5.036
   87    H    THR 148           HN       THR 148   5.036  -4.456   2.080
   88    HA   THR 148           HA       THR 148   7.698  -3.474   2.386
   89    HB   THR 148           HB       THR 148   6.774  -5.885   0.815
   90    HG1  THR 148           HG1      THR 148   7.230  -5.501   3.597
   91   HG21  THR 148          HG21      THR 148   8.987  -6.772   1.376
   92   HG22  THR 148          HG22      THR 148   9.377  -5.275   2.223
   93   HG23  THR 148          HG23      THR 148   9.123  -5.261   0.478
   94    H    GLU 149           HN       GLU 149   5.275  -3.011   0.091
   95    HA   GLU 149           HA       GLU 149   6.922  -2.730  -2.220
   96    HB2  GLU 149           HB2      GLU 149   5.029  -1.992  -3.342
   97    HB3  GLU 149           HB1      GLU 149   4.329  -2.990  -2.080
   98    HG2  GLU 149           HG2      GLU 149   3.836  -1.010  -0.763
   99    HG3  GLU 149           HG1      GLU 149   4.577   0.006  -1.988
  100    H    PHE 150           HN       PHE 150   6.376  -0.878   0.563
  101    HA   PHE 150           HA       PHE 150   7.166   1.646  -0.657
  102    HB2  PHE 150           HB2      PHE 150   6.446   0.988   2.205
  103    HB3  PHE 150           HB1      PHE 150   6.773   2.601   1.583
  104    HD1  PHE 150           HD1      PHE 150   4.285   0.222   2.283
  105    HD2  PHE 150           HD2      PHE 150   5.271   3.365  -0.405
  106    HE1  PHE 150           HE1      PHE 150   1.906   0.471   1.709
  107    HE2  PHE 150           HE2      PHE 150   2.896   3.621  -0.986
  108    HZ   PHE 150           HZ       PHE 150   1.208   2.170   0.072
  109    H    TYR 151           HN       TYR 151   9.144  -0.315  -0.797
  110    HA   TYR 151           HA       TYR 151  11.020   0.116   1.347
  111    HB2  TYR 151           HB2      TYR 151  12.547  -1.279   0.053
  112    HB3  TYR 151           HB1      TYR 151  10.963  -2.036   0.156
  113    HD1  TYR 151           HD1      TYR 151   9.427  -1.893  -1.863
  114    HD2  TYR 151           HD2      TYR 151  13.542  -0.825  -2.016
  115    HE1  TYR 151           HE1      TYR 151   9.394  -2.133  -4.308
  116    HE2  TYR 151           HE2      TYR 151  13.518  -1.059  -4.455
  117    HH   TYR 151           HH       TYR 151  12.191  -2.290  -6.173
  118    H    HIS 152           HN       HIS 152  13.181   0.999   0.968
  119    HA   HIS 152           HA       HIS 152  14.481   2.810   0.563
  120    HB2  HIS 152           HB2      HIS 152  13.205   2.622  -2.171
  121    HB3  HIS 152           HB1      HIS 152  14.531   3.708  -1.780
  122    HD1  HIS 152           HD1      HIS 152  14.605   1.332  -3.891
  123    HD2  HIS 152           HD2      HIS 152  16.182   1.266  -0.045
  124    HE1  HIS 152           HE1      HIS 152  16.396  -0.432  -3.922
  125    HE2  HIS 152           HE2      HIS 152  17.206  -0.573  -1.541
  Start of MODEL   17
    1    H1   GLY 139           HT1      GLY 139 -14.782   1.274   5.012
    2    H2   GLY 139           HT2      GLY 139 -13.492   1.010   3.954
    3    H3   GLY 139           HT3      GLY 139 -15.046   0.510   3.528
    4    HA2  GLY 139           HA1      GLY 139 -15.791   2.814   3.481
    5    HA3  GLY 139           HA2      GLY 139 -14.155   3.312   3.881
    6    H    ARG 140           HN       ARG 140 -15.053   4.432   1.703
    7    HA   ARG 140           HA       ARG 140 -14.745   2.879  -0.671
    8    HB2  ARG 140           HB2      ARG 140 -14.947   4.995  -1.865
    9    HB3  ARG 140           HB1      ARG 140 -16.174   4.874  -0.613
   10    HG2  ARG 140           HG2      ARG 140 -14.888   6.345   0.825
   11    HG3  ARG 140           HG1      ARG 140 -13.603   6.427  -0.382
   12    HD2  ARG 140           HD2      ARG 140 -16.442   7.380  -0.748
   13    HD3  ARG 140           HD1      ARG 140 -15.038   8.406  -0.460
   14    HE   ARG 140           HE       ARG 140 -14.436   6.907  -2.699
   15   HH11  ARG 140          HH11      ARG 140 -16.877   9.231  -1.763
   16   HH12  ARG 140          HH12      ARG 140 -17.134   9.809  -3.378
   17   HH21  ARG 140          HH21      ARG 140 -14.755   7.677  -4.825
   18   HH22  ARG 140          HH22      ARG 140 -15.914   8.933  -5.119
   19    H    LYS 141           HN       LYS 141 -12.595   4.669   1.365
   20    HA   LYS 141           HA       LYS 141 -10.493   4.884  -0.572
   21    HB2  LYS 141           HB2      LYS 141 -10.518   5.221   2.429
   22    HB3  LYS 141           HB1      LYS 141  -9.086   5.467   1.436
   23    HG2  LYS 141           HG2      LYS 141 -10.287   7.214   0.184
   24    HG3  LYS 141           HG1      LYS 141 -11.673   6.997   1.250
   25    HD2  LYS 141           HD2      LYS 141  -8.912   7.774   2.182
   26    HD3  LYS 141           HD1      LYS 141 -10.205   8.924   1.844
   27    HE2  LYS 141           HE2      LYS 141 -11.602   7.777   3.543
   28    HE3  LYS 141           HE1      LYS 141 -10.225   6.745   3.929
   29    HZ1  LYS 141           HZ1      LYS 141 -10.353   8.561   5.475
   30    HZ2  LYS 141           HZ2      LYS 141 -10.352   9.697   4.225
   31    HZ3  LYS 141           HZ3      LYS 141  -8.974   8.756   4.515
   32    H    ARG 142           HN       ARG 142  -8.875   3.510  -0.985
   33    HA   ARG 142           HA       ARG 142  -9.278   0.792  -0.134
   34    HB2  ARG 142           HB2      ARG 142  -7.515   0.253  -1.744
   35    HB3  ARG 142           HB1      ARG 142  -8.745   1.282  -2.461
   36    HG2  ARG 142           HG2      ARG 142  -7.267   3.225  -2.153
   37    HG3  ARG 142           HG1      ARG 142  -6.027   2.156  -1.497
   38    HD2  ARG 142           HD2      ARG 142  -5.609   2.639  -3.849
   39    HD3  ARG 142           HD1      ARG 142  -5.962   0.929  -3.606
   40    HE   ARG 142           HE       ARG 142  -8.366   2.155  -4.227
   41   HH11  ARG 142          HH11      ARG 142  -5.266   1.657  -5.761
   42   HH12  ARG 142          HH12      ARG 142  -5.918   1.630  -7.369
   43   HH21  ARG 142          HH21      ARG 142  -9.238   2.119  -6.341
   44   HH22  ARG 142          HH22      ARG 142  -8.174   1.908  -7.695
   45    H    ARG 143           HN       ARG 143  -7.823  -0.526   0.918
   46    HA   ARG 143           HA       ARG 143  -5.699   0.862   2.412
   47    HB2  ARG 143           HB2      ARG 143  -7.329  -1.556   3.233
   48    HB3  ARG 143           HB1      ARG 143  -6.027  -0.841   4.175
   49    HG2  ARG 143           HG2      ARG 143  -7.286   1.212   4.420
   50    HG3  ARG 143           HG1      ARG 143  -8.572   0.567   3.401
   51    HD2  ARG 143           HD2      ARG 143  -8.947  -1.222   5.048
   52    HD3  ARG 143           HD1      ARG 143  -7.701  -0.514   6.077
   53    HE   ARG 143           HE       ARG 143  -9.336   1.558   5.791
   54   HH11  ARG 143          HH11      ARG 143 -10.054  -1.796   6.496
   55   HH12  ARG 143          HH12      ARG 143 -11.510  -1.433   7.363
   56   HH21  ARG 143          HH21      ARG 143 -11.248   2.036   6.948
   57   HH22  ARG 143          HH22      ARG 143 -12.182   0.746   7.635
   58    H    GLN 144           HN       GLN 144  -4.306  -1.316   3.353
   59    HA   GLN 144           HA       GLN 144  -2.530  -2.585   2.766
   60    HB2  GLN 144           HB2      GLN 144  -4.490  -3.520   0.671
   61    HB3  GLN 144           HB1      GLN 144  -2.873  -4.193   0.813
   62    HG2  GLN 144           HG2      GLN 144  -4.220  -5.681   1.981
   63    HG3  GLN 144           HG1      GLN 144  -3.482  -4.695   3.239
   64   HE21  GLN 144          HE21      GLN 144  -5.072  -5.067   4.727
   65   HE22  GLN 144          HE22      GLN 144  -6.672  -4.430   4.574
   66    H    DAB 145           HN       DAB 145  -1.250  -0.807   2.310
   67    HA   DAB 145           HA       DAB 145  -1.211   0.339  -0.328
   68    HB2  DAB 145           HB1      DAB 145  -0.883   1.756   1.611
   69    HB3  DAB 145           HB2      DAB 145   0.519   1.811   0.555
   70    HG2  DAB 145           HG1      DAB 145   0.402   0.032   2.963
   71    HG3  DAB 145           HG2      DAB 145   0.942   1.705   3.035
   72    HD1  DAB 145           HD1      DAB 145   2.250  -0.388   1.430
   73    H    SER 146           HN       SER 146  -0.218  -2.492   0.591
   74    HA   SER 146           HA       SER 146   1.008  -4.081  -0.461
   75    HB2  SER 146           HB2      SER 146   2.038  -3.748  -2.493
   76    HB3  SER 146           HB1      SER 146   0.971  -2.347  -2.466
   77    HG   SER 146           HG       SER 146   2.665  -1.055  -1.909
   78    H    MET 147           HN       MET 147   2.893  -5.104  -0.018
   79    HA   MET 147           HA       MET 147   4.540  -4.017   2.033
   80    HB2  MET 147           HB2      MET 147   4.015  -6.431   1.821
   81    HB3  MET 147           HB1      MET 147   4.946  -6.487   0.332
   82    HG2  MET 147           HG2      MET 147   6.965  -5.886   1.579
   83    HG3  MET 147           HG1      MET 147   6.026  -5.853   3.070
   84    HE1  MET 147           HE1      MET 147   8.223  -9.092   3.441
   85    HE2  MET 147           HE2      MET 147   7.768  -7.554   4.176
   86    HE3  MET 147           HE3      MET 147   8.690  -7.576   2.672
   87    H    THR 148           HN       THR 148   4.481  -3.624  -1.294
   88    HA   THR 148           HA       THR 148   7.289  -3.583  -1.808
   89    HB   THR 148           HB       THR 148   5.150  -2.337  -3.526
   90    HG1  THR 148           HG1      THR 148   5.853  -5.071  -3.163
   91   HG21  THR 148          HG21      THR 148   7.774  -3.686  -4.173
   92   HG22  THR 148          HG22      THR 148   7.475  -1.949  -4.198
   93   HG23  THR 148          HG23      THR 148   6.651  -3.002  -5.346
   94    H    GLU 149           HN       GLU 149   5.077  -1.401  -0.438
   95    HA   GLU 149           HA       GLU 149   6.376   1.019  -1.211
   96    HB2  GLU 149           HB2      GLU 149   4.996   2.112   0.387
   97    HB3  GLU 149           HB1      GLU 149   4.017   0.859  -0.356
   98    HG2  GLU 149           HG2      GLU 149   4.406  -0.581   1.584
   99    HG3  GLU 149           HG1      GLU 149   5.356   0.694   2.330
  100    H    PHE 150           HN       PHE 150   7.035  -1.432   1.044
  101    HA   PHE 150           HA       PHE 150   8.685   0.257   2.746
  102    HB2  PHE 150           HB2      PHE 150   8.125  -2.712   2.902
  103    HB3  PHE 150           HB1      PHE 150   8.985  -1.764   4.109
  104    HD1  PHE 150           HD1      PHE 150   5.815  -2.923   2.976
  105    HD2  PHE 150           HD2      PHE 150   7.716   0.110   5.267
  106    HE1  PHE 150           HE1      PHE 150   3.675  -2.433   4.091
  107    HE2  PHE 150           HE2      PHE 150   5.585   0.604   6.389
  108    HZ   PHE 150           HZ       PHE 150   3.559  -0.668   5.801
  109    H    TYR 151           HN       TYR 151   9.105  -1.013  -0.178
  110    HA   TYR 151           HA       TYR 151  11.652  -2.299   0.184
  111    HB2  TYR 151           HB2      TYR 151  10.081  -2.882  -1.684
  112    HB3  TYR 151           HB1      TYR 151  10.414  -1.303  -2.391
  113    HD1  TYR 151           HD1      TYR 151  12.551  -0.842  -3.452
  114    HD2  TYR 151           HD2      TYR 151  11.772  -4.633  -1.687
  115    HE1  TYR 151           HE1      TYR 151  14.517  -1.769  -4.594
  116    HE2  TYR 151           HE2      TYR 151  13.736  -5.572  -2.824
  117    HH   TYR 151           HH       TYR 151  15.098  -5.057  -4.879
  118    H    HIS 152           HN       HIS 152  13.360  -1.157   0.733
  119    HA   HIS 152           HA       HIS 152  13.586   1.641   0.003
  120    HB2  HIS 152           HB2      HIS 152  15.350  -0.172   1.659
  121    HB3  HIS 152           HB1      HIS 152  15.732   1.513   1.324
  122    HD1  HIS 152           HD1      HIS 152  14.797   3.189   2.910
  123    HD2  HIS 152           HD2      HIS 152  12.855  -0.476   3.171
  124    HE1  HIS 152           HE1      HIS 152  13.215   3.398   4.853
  125    HE2  HIS 152           HE2      HIS 152  12.071   1.163   5.011
  Start of MODEL   18
    1    H1   GLY 139           HT1      GLY 139 -12.176   6.832   0.984
    2    H2   GLY 139           HT2      GLY 139 -13.198   8.162   1.147
    3    H3   GLY 139           HT3      GLY 139 -13.846   6.638   0.813
    4    HA2  GLY 139           HA1      GLY 139 -12.479   7.467   3.312
    5    HA3  GLY 139           HA2      GLY 139 -14.202   7.173   3.121
    6    H    ARG 140           HN       ARG 140 -14.792   4.947   2.360
    7    HA   ARG 140           HA       ARG 140 -13.175   3.018   3.844
    8    HB2  ARG 140           HB2      ARG 140 -15.677   3.307   4.221
    9    HB3  ARG 140           HB1      ARG 140 -15.902   2.559   2.647
   10    HG2  ARG 140           HG2      ARG 140 -14.850   0.529   3.404
   11    HG3  ARG 140           HG1      ARG 140 -14.464   1.273   4.958
   12    HD2  ARG 140           HD2      ARG 140 -17.237   0.804   3.875
   13    HD3  ARG 140           HD1      ARG 140 -16.436  -0.180   5.098
   14    HE   ARG 140           HE       ARG 140 -16.458   2.512   5.929
   15   HH11  ARG 140          HH11      ARG 140 -18.643  -0.169   5.438
   16   HH12  ARG 140          HH12      ARG 140 -19.752   0.335   6.672
   17   HH21  ARG 140          HH21      ARG 140 -17.916   3.185   7.565
   18   HH22  ARG 140          HH22      ARG 140 -19.335   2.238   7.885
   19    H    LYS 141           HN       LYS 141 -12.051   3.849   1.488
   20    HA   LYS 141           HA       LYS 141 -12.091   1.327  -0.016
   21    HB2  LYS 141           HB2      LYS 141 -13.215   3.207  -1.290
   22    HB3  LYS 141           HB1      LYS 141 -11.667   4.040  -1.290
   23    HG2  LYS 141           HG2      LYS 141 -10.693   2.048  -2.454
   24    HG3  LYS 141           HG1      LYS 141 -12.332   1.415  -2.606
   25    HD2  LYS 141           HD2      LYS 141 -12.990   3.379  -3.886
   26    HD3  LYS 141           HD1      LYS 141 -11.377   4.066  -3.687
   27    HE2  LYS 141           HE2      LYS 141 -10.444   2.110  -4.882
   28    HE3  LYS 141           HE1      LYS 141 -12.084   1.529  -5.153
   29    HZ1  LYS 141           HZ1      LYS 141 -11.238   2.707  -7.078
   30    HZ2  LYS 141           HZ2      LYS 141 -10.971   4.092  -6.148
   31    HZ3  LYS 141           HZ3      LYS 141 -12.547   3.542  -6.408
   32    H    ARG 142           HN       ARG 142 -10.499   1.862   2.143
   33    HA   ARG 142           HA       ARG 142  -7.975   2.945   1.336
   34    HB2  ARG 142           HB2      ARG 142  -8.815   1.418   3.801
   35    HB3  ARG 142           HB1      ARG 142  -7.190   2.041   3.549
   36    HG2  ARG 142           HG2      ARG 142  -8.148   4.319   3.346
   37    HG3  ARG 142           HG1      ARG 142  -9.726   3.647   3.757
   38    HD2  ARG 142           HD2      ARG 142  -7.275   3.454   5.497
   39    HD3  ARG 142           HD1      ARG 142  -8.535   4.672   5.680
   40    HE   ARG 142           HE       ARG 142  -9.758   2.162   5.733
   41   HH11  ARG 142          HH11      ARG 142  -7.504   4.022   7.644
   42   HH12  ARG 142          HH12      ARG 142  -7.991   3.313   9.149
   43   HH21  ARG 142          HH21      ARG 142 -10.392   1.205   7.706
   44   HH22  ARG 142          HH22      ARG 142  -9.623   1.695   9.183
   45    H    ARG 143           HN       ARG 143  -7.164   1.851  -0.349
   46    HA   ARG 143           HA       ARG 143  -6.817  -1.043  -0.111
   47    HB2  ARG 143           HB2      ARG 143  -6.284   0.800  -2.451
   48    HB3  ARG 143           HB1      ARG 143  -6.116  -0.946  -2.475
   49    HG2  ARG 143           HG2      ARG 143  -8.699   0.511  -1.960
   50    HG3  ARG 143           HG1      ARG 143  -8.197  -0.118  -3.528
   51    HD2  ARG 143           HD2      ARG 143  -9.628  -1.754  -2.642
   52    HD3  ARG 143           HD1      ARG 143  -8.003  -2.380  -2.383
   53    HE   ARG 143           HE       ARG 143  -9.103  -0.909  -0.155
   54   HH11  ARG 143          HH11      ARG 143  -8.700  -4.040  -1.656
   55   HH12  ARG 143          HH12      ARG 143  -9.022  -4.922  -0.198
   56   HH21  ARG 143          HH21      ARG 143  -9.533  -2.064   1.763
   57   HH22  ARG 143          HH22      ARG 143  -9.492  -3.799   1.748
   58    H    GLN 144           HN       GLN 144  -5.211  -1.092   1.441
   59    HA   GLN 144           HA       GLN 144  -2.745   0.351   1.089
   60    HB2  GLN 144           HB2      GLN 144  -3.625  -0.154   3.335
   61    HB3  GLN 144           HB1      GLN 144  -3.473  -1.874   3.008
   62    HG2  GLN 144           HG2      GLN 144  -1.049  -1.620   2.815
   63    HG3  GLN 144           HG1      GLN 144  -1.208   0.103   3.153
   64   HE21  GLN 144          HE21      GLN 144  -1.728   0.778   5.232
   65   HE22  GLN 144          HE22      GLN 144  -1.600  -0.275   6.599
   66    H    DAB 145           HN       DAB 145  -1.262  -0.258  -0.346
   67    HA   DAB 145           HA       DAB 145  -1.253  -2.997  -1.297
   68    HB2  DAB 145           HB1      DAB 145  -1.147  -1.376  -3.033
   69    HB3  DAB 145           HB2      DAB 145   0.406  -2.189  -2.964
   70    HG2  DAB 145           HG1      DAB 145  -0.038   0.418  -1.575
   71    HG3  DAB 145           HG2      DAB 145   0.352   0.334  -3.286
   72    HD1  DAB 145           HD1      DAB 145   2.120  -0.816  -1.227
   73    H    SER 146           HN       SER 146   1.199  -3.659  -1.904
   74    HA   SER 146           HA       SER 146   2.324  -4.722   0.326
   75    HB2  SER 146           HB2      SER 146   3.019  -5.448  -1.853
   76    HB3  SER 146           HB1      SER 146   3.655  -3.852  -2.246
   77    HG   SER 146           HG       SER 146   4.715  -5.858  -0.610
   78    H    MET 147           HN       MET 147   3.592  -4.082   1.953
   79    HA   MET 147           HA       MET 147   4.248  -1.336   2.316
   80    HB2  MET 147           HB2      MET 147   4.969  -3.848   3.808
   81    HB3  MET 147           HB1      MET 147   5.641  -2.287   4.257
   82    HG2  MET 147           HG2      MET 147   2.700  -2.899   4.115
   83    HG3  MET 147           HG1      MET 147   3.667  -2.953   5.588
   84    HE1  MET 147           HE1      MET 147   1.540   0.280   6.119
   85    HE2  MET 147           HE2      MET 147   1.997  -1.297   6.767
   86    HE3  MET 147           HE3      MET 147   1.009  -1.193   5.310
   87    H    THR 148           HN       THR 148   5.868  -4.103   0.975
   88    HA   THR 148           HA       THR 148   8.461  -2.864   1.006
   89    HB   THR 148           HB       THR 148   8.978  -4.815  -0.642
   90    HG1  THR 148           HG1      THR 148   6.547  -5.179  -0.787
   91   HG21  THR 148          HG21      THR 148   9.746  -4.719   1.678
   92   HG22  THR 148          HG22      THR 148   9.253  -6.356   1.242
   93   HG23  THR 148          HG23      THR 148   8.192  -5.348   2.225
   94    H    GLU 149           HN       GLU 149   5.739  -2.282  -0.803
   95    HA   GLU 149           HA       GLU 149   7.039  -1.623  -3.266
   96    HB2  GLU 149           HB2      GLU 149   5.001  -0.788  -3.992
   97    HB3  GLU 149           HB1      GLU 149   4.473  -1.944  -2.784
   98    HG2  GLU 149           HG2      GLU 149   4.198  -0.169  -1.164
   99    HG3  GLU 149           HG1      GLU 149   4.790   1.008  -2.320
  100    H    PHE 150           HN       PHE 150   6.535  -0.148  -0.204
  101    HA   PHE 150           HA       PHE 150   7.552   2.446  -1.083
  102    HB2  PHE 150           HB2      PHE 150   6.677   1.587   1.685
  103    HB3  PHE 150           HB1      PHE 150   7.025   3.229   1.161
  104    HD1  PHE 150           HD1      PHE 150   4.496   0.924   1.793
  105    HD2  PHE 150           HD2      PHE 150   5.576   4.022  -0.917
  106    HE1  PHE 150           HE1      PHE 150   2.132   1.218   1.196
  107    HE2  PHE 150           HE2      PHE 150   3.209   4.320  -1.522
  108    HZ   PHE 150           HZ       PHE 150   1.484   2.919  -0.464
  109    H    TYR 151           HN       TYR 151   8.250   0.007   1.393
  110    HA   TYR 151           HA       TYR 151  10.833   1.161   1.965
  111    HB2  TYR 151           HB2      TYR 151   9.591  -1.401   2.987
  112    HB3  TYR 151           HB1      TYR 151  11.015  -0.603   3.645
  113    HD1  TYR 151           HD1      TYR 151   7.520  -0.969   3.925
  114    HD2  TYR 151           HD2      TYR 151  10.646   1.865   4.451
  115    HE1  TYR 151           HE1      TYR 151   6.078   0.334   5.422
  116    HE2  TYR 151           HE2      TYR 151   9.213   3.176   5.955
  117    HH   TYR 151           HH       TYR 151   6.512   2.028   7.385
  118    H    HIS 152           HN       HIS 152  12.447  -0.951   2.414
  119    HA   HIS 152           HA       HIS 152  12.636  -2.544  -0.013
  120    HB2  HIS 152           HB2      HIS 152  14.711  -0.500   0.811
  121    HB3  HIS 152           HB1      HIS 152  15.056  -1.824  -0.291
  122    HD1  HIS 152           HD1      HIS 152  13.454   1.516  -0.107
  123    HD2  HIS 152           HD2      HIS 152  13.823  -1.596  -2.838
  124    HE1  HIS 152           HE1      HIS 152  12.733   2.467  -2.319
  125    HE2  HIS 152           HE2      HIS 152  12.859   0.538  -3.933
  Start of MODEL   19
    1    H1   GLY 139           HT1      GLY 139  -5.498   8.371   3.264
    2    H2   GLY 139           HT2      GLY 139  -5.906   7.860   1.706
    3    H3   GLY 139           HT3      GLY 139  -5.135   6.799   2.768
    4    HA2  GLY 139           HA1      GLY 139  -7.038   6.751   4.208
    5    HA3  GLY 139           HA2      GLY 139  -7.840   7.930   3.181
    6    H    ARG 140           HN       ARG 140  -8.273   4.996   3.988
    7    HA   ARG 140           HA       ARG 140  -9.333   3.202   3.100
    8    HB2  ARG 140           HB2      ARG 140 -10.550   5.061   1.819
    9    HB3  ARG 140           HB1      ARG 140  -9.500   4.663   0.468
   10    HG2  ARG 140           HG2      ARG 140 -11.524   3.509   0.109
   11    HG3  ARG 140           HG1      ARG 140 -10.356   2.300   0.644
   12    HD2  ARG 140           HD2      ARG 140 -12.476   1.956   1.767
   13    HD3  ARG 140           HD1      ARG 140 -11.255   2.472   2.928
   14    HE   ARG 140           HE       ARG 140 -12.925   4.569   1.800
   15   HH11  ARG 140          HH11      ARG 140 -12.341   2.389   4.482
   16   HH12  ARG 140          HH12      ARG 140 -13.331   3.281   5.590
   17   HH21  ARG 140          HH21      ARG 140 -14.211   5.760   3.268
   18   HH22  ARG 140          HH22      ARG 140 -14.394   5.202   4.900
   19    H    LYS 141           HN       LYS 141  -7.512   1.899   3.250
   20    HA   LYS 141           HA       LYS 141  -6.038   1.523   0.727
   21    HB2  LYS 141           HB2      LYS 141  -4.109   0.774   2.144
   22    HB3  LYS 141           HB1      LYS 141  -4.516   2.474   2.306
   23    HG2  LYS 141           HG2      LYS 141  -5.634   2.045   4.406
   24    HG3  LYS 141           HG1      LYS 141  -5.351   0.314   4.229
   25    HD2  LYS 141           HD2      LYS 141  -3.720   1.194   5.748
   26    HD3  LYS 141           HD1      LYS 141  -2.905   0.776   4.242
   27    HE2  LYS 141           HE2      LYS 141  -2.103   2.908   5.071
   28    HE3  LYS 141           HE1      LYS 141  -2.979   3.127   3.559
   29    HZ1  LYS 141           HZ1      LYS 141  -3.551   4.806   5.221
   30    HZ2  LYS 141           HZ2      LYS 141  -4.110   3.599   6.265
   31    HZ3  LYS 141           HZ3      LYS 141  -4.896   3.875   4.793
   32    H    ARG 142           HN       ARG 142  -8.216   0.109   0.758
   33    HA   ARG 142           HA       ARG 142  -7.662  -2.479   2.002
   34    HB2  ARG 142           HB2      ARG 142 -10.119  -1.427   0.603
   35    HB3  ARG 142           HB1      ARG 142  -9.963  -3.074   1.199
   36    HG2  ARG 142           HG2      ARG 142  -9.579  -2.147   3.474
   37    HG3  ARG 142           HG1      ARG 142  -9.931  -0.544   2.824
   38    HD2  ARG 142           HD2      ARG 142 -11.804  -2.907   2.772
   39    HD3  ARG 142           HD1      ARG 142 -11.884  -1.565   3.909
   40    HE   ARG 142           HE       ARG 142 -12.128  -1.083   1.017
   41   HH11  ARG 142          HH11      ARG 142 -13.453  -0.931   4.249
   42   HH12  ARG 142          HH12      ARG 142 -14.818   0.028   3.781
   43   HH21  ARG 142          HH21      ARG 142 -13.917   0.204   0.402
   44   HH22  ARG 142          HH22      ARG 142 -15.083   0.675   1.600
   45    H    ARG 143           HN       ARG 143  -7.746  -0.915  -1.090
   46    HA   ARG 143           HA       ARG 143  -7.499  -3.413  -2.552
   47    HB2  ARG 143           HB2      ARG 143  -8.763  -1.490  -3.487
   48    HB3  ARG 143           HB1      ARG 143  -7.274  -0.558  -3.529
   49    HG2  ARG 143           HG2      ARG 143  -6.334  -2.323  -5.045
   50    HG3  ARG 143           HG1      ARG 143  -7.957  -3.007  -5.127
   51    HD2  ARG 143           HD2      ARG 143  -7.621  -1.592  -7.031
   52    HD3  ARG 143           HD1      ARG 143  -8.783  -0.823  -5.951
   53    HE   ARG 143           HE       ARG 143  -6.303   0.189  -5.263
   54   HH11  ARG 143          HH11      ARG 143  -8.353   0.135  -8.097
   55   HH12  ARG 143          HH12      ARG 143  -7.754   1.640  -8.718
   56   HH21  ARG 143          HH21      ARG 143  -5.510   2.171  -6.075
   57   HH22  ARG 143          HH22      ARG 143  -6.137   2.799  -7.568
   58    H    GLN 144           HN       GLN 144  -5.503  -1.196  -0.973
   59    HA   GLN 144           HA       GLN 144  -3.127  -2.314  -2.270
   60    HB2  GLN 144           HB2      GLN 144  -3.531  -0.136  -3.283
   61    HB3  GLN 144           HB1      GLN 144  -3.640   0.609  -1.697
   62    HG2  GLN 144           HG2      GLN 144  -1.320   0.228  -1.285
   63    HG3  GLN 144           HG1      GLN 144  -1.168  -0.735  -2.753
   64   HE21  GLN 144          HE21      GLN 144  -1.540   2.467  -1.453
   65   HE22  GLN 144          HE22      GLN 144  -1.133   3.318  -2.903
   66    H    DAB 145           HN       DAB 145  -1.677  -3.025  -0.867
   67    HA   DAB 145           HA       DAB 145  -2.124  -2.663   1.961
   68    HB2  DAB 145           HB1      DAB 145  -1.573  -4.868   1.338
   69    HB3  DAB 145           HB2      DAB 145  -0.156  -4.236   2.161
   70    HG2  DAB 145           HG1      DAB 145  -0.466  -4.351  -0.827
   71    HG3  DAB 145           HG2      DAB 145   0.337  -5.571   0.147
   72    HD1  DAB 145           HD1      DAB 145   1.280  -2.785   0.094
   73    H    SER 146           HN       SER 146  -1.486  -0.287   0.740
   74    HA   SER 146           HA       SER 146  -0.220   1.571   0.936
   75    HB2  SER 146           HB2      SER 146   1.071   1.890   2.798
   76    HB3  SER 146           HB1      SER 146   0.262   0.410   3.309
   77    HG   SER 146           HG       SER 146   2.053  -0.760   2.786
   78    H    MET 147           HN       MET 147   1.317   2.477  -0.304
   79    HA   MET 147           HA       MET 147   2.852   0.799  -2.028
   80    HB2  MET 147           HB2      MET 147   2.755   3.785  -1.626
   81    HB3  MET 147           HB1      MET 147   3.866   3.025  -2.758
   82    HG2  MET 147           HG2      MET 147   2.014   2.088  -3.996
   83    HG3  MET 147           HG1      MET 147   0.873   2.755  -2.832
   84    HE1  MET 147           HE1      MET 147   4.128   4.526  -4.181
   85    HE2  MET 147           HE2      MET 147   3.494   5.360  -5.600
   86    HE3  MET 147           HE3      MET 147   3.561   3.598  -5.570
   87    H    THR 148           HN       THR 148   3.280   1.658   1.123
   88    HA   THR 148           HA       THR 148   6.074   2.234   1.085
   89    HB   THR 148           HB       THR 148   4.356   1.403   3.425
   90    HG1  THR 148           HG1      THR 148   4.840   3.933   2.203
   91   HG21  THR 148          HG21      THR 148   6.764   1.282   3.854
   92   HG22  THR 148          HG22      THR 148   6.024   2.605   4.757
   93   HG23  THR 148          HG23      THR 148   6.949   2.943   3.295
   94    H    GLU 149           HN       GLU 149   4.151  -0.576   0.992
   95    HA   GLU 149           HA       GLU 149   6.054  -2.363   2.156
   96    HB2  GLU 149           HB2      GLU 149   4.615  -4.105   1.559
   97    HB3  GLU 149           HB1      GLU 149   3.541  -2.756   1.874
   98    HG2  GLU 149           HG2      GLU 149   3.312  -2.356  -0.507
   99    HG3  GLU 149           HG1      GLU 149   4.428  -3.670  -0.849
  100    H    PHE 150           HN       PHE 150   5.894  -0.748  -0.805
  101    HA   PHE 150           HA       PHE 150   7.384  -2.755  -2.282
  102    HB2  PHE 150           HB2      PHE 150   6.584   0.059  -3.049
  103    HB3  PHE 150           HB1      PHE 150   7.369  -1.097  -4.120
  104    HD1  PHE 150           HD1      PHE 150   4.308   0.233  -3.105
  105    HD2  PHE 150           HD2      PHE 150   6.116  -3.409  -4.344
  106    HE1  PHE 150           HE1      PHE 150   2.098  -0.637  -3.747
  107    HE2  PHE 150           HE2      PHE 150   3.911  -4.287  -4.990
  108    HZ   PHE 150           HZ       PHE 150   1.898  -2.901  -4.694
  109    H    TYR 151           HN       TYR 151   7.982  -0.067  -0.264
  110    HA   TYR 151           HA       TYR 151  10.660   0.416  -1.226
  111    HB2  TYR 151           HB2      TYR 151   9.290   1.403   1.286
  112    HB3  TYR 151           HB1      TYR 151  10.833   1.976   0.665
  113    HD1  TYR 151           HD1      TYR 151  10.373   2.342  -2.169
  114    HD2  TYR 151           HD2      TYR 151   7.767   3.131   1.101
  115    HE1  TYR 151           HE1      TYR 151   9.211   4.041  -3.511
  116    HE2  TYR 151           HE2      TYR 151   6.593   4.824  -0.235
  117    HH   TYR 151           HH       TYR 151   7.023   6.273  -2.163
  118    H    HIS 152           HN       HIS 152   9.192  -1.903   0.616
  119    HA   HIS 152           HA       HIS 152   9.951  -3.703   1.753
  120    HB2  HIS 152           HB2      HIS 152  12.720  -2.837   0.900
  121    HB3  HIS 152           HB1      HIS 152  12.231  -4.444   1.425
  122    HD1  HIS 152           HD1      HIS 152  13.228  -2.993  -1.507
  123    HD2  HIS 152           HD2      HIS 152   9.798  -5.120  -0.512
  124    HE1  HIS 152           HE1      HIS 152  12.305  -3.845  -3.685
  125    HE2  HIS 152           HE2      HIS 152  10.164  -5.017  -3.071
  Start of MODEL   20
    1    H1   GLY 139           HT1      GLY 139  -9.821   5.794   6.268
    2    H2   GLY 139           HT2      GLY 139 -10.016   4.118   6.355
    3    H3   GLY 139           HT3      GLY 139 -11.314   5.139   6.715
    4    HA2  GLY 139           HA1      GLY 139 -11.355   5.927   4.430
    5    HA3  GLY 139           HA2      GLY 139 -10.026   4.837   4.063
    6    H    ARG 140           HN       ARG 140 -13.143   5.166   3.540
    7    HA   ARG 140           HA       ARG 140 -14.189   2.614   4.292
    8    HB2  ARG 140           HB2      ARG 140 -15.154   4.693   2.328
    9    HB3  ARG 140           HB1      ARG 140 -16.039   3.219   2.692
   10    HG2  ARG 140           HG2      ARG 140 -16.179   3.907   5.048
   11    HG3  ARG 140           HG1      ARG 140 -15.347   5.410   4.639
   12    HD2  ARG 140           HD2      ARG 140 -17.779   5.712   4.758
   13    HD3  ARG 140           HD1      ARG 140 -17.157   6.026   3.138
   14    HE   ARG 140           HE       ARG 140 -18.105   3.331   3.567
   15   HH11  ARG 140          HH11      ARG 140 -18.968   6.575   2.586
   16   HH12  ARG 140          HH12      ARG 140 -20.318   6.062   1.628
   17   HH21  ARG 140          HH21      ARG 140 -19.900   2.650   2.324
   18   HH22  ARG 140          HH22      ARG 140 -20.847   3.830   1.476
   19    H    LYS 141           HN       LYS 141 -13.037   4.014   1.257
   20    HA   LYS 141           HA       LYS 141 -12.923   1.329   0.080
   21    HB2  LYS 141           HB2      LYS 141 -14.075   3.198  -1.157
   22    HB3  LYS 141           HB1      LYS 141 -12.521   4.009  -1.268
   23    HG2  LYS 141           HG2      LYS 141 -12.986   2.887  -3.335
   24    HG3  LYS 141           HG1      LYS 141 -11.641   2.082  -2.528
   25    HD2  LYS 141           HD2      LYS 141 -13.086   0.314  -1.771
   26    HD3  LYS 141           HD1      LYS 141 -14.505   1.153  -2.400
   27    HE2  LYS 141           HE2      LYS 141 -13.797  -0.659  -3.885
   28    HE3  LYS 141           HE1      LYS 141 -13.666   0.913  -4.667
   29    HZ1  LYS 141           HZ1      LYS 141 -11.308   0.904  -4.288
   30    HZ2  LYS 141           HZ2      LYS 141 -11.741  -0.525  -5.078
   31    HZ3  LYS 141           HZ3      LYS 141 -11.404  -0.544  -3.422
   32    H    ARG 142           HN       ARG 142 -11.064   0.466   0.911
   33    HA   ARG 142           HA       ARG 142  -8.619   2.095   0.719
   34    HB2  ARG 142           HB2      ARG 142  -9.334   1.672   3.041
   35    HB3  ARG 142           HB1      ARG 142  -9.281  -0.058   2.737
   36    HG2  ARG 142           HG2      ARG 142  -6.856   0.146   2.270
   37    HG3  ARG 142           HG1      ARG 142  -6.951   1.848   2.730
   38    HD2  ARG 142           HD2      ARG 142  -7.776   1.169   4.953
   39    HD3  ARG 142           HD1      ARG 142  -7.601  -0.518   4.479
   40    HE   ARG 142           HE       ARG 142  -5.254   1.235   4.420
   41   HH11  ARG 142          HH11      ARG 142  -6.955  -1.482   5.847
   42   HH12  ARG 142          HH12      ARG 142  -5.564  -2.056   6.710
   43   HH21  ARG 142          HH21      ARG 142  -3.427   0.476   5.561
   44   HH22  ARG 142          HH22      ARG 142  -3.558  -0.948   6.544
   45    H    ARG 143           HN       ARG 143  -7.716   1.386  -1.150
   46    HA   ARG 143           HA       ARG 143  -7.028  -1.477  -1.239
   47    HB2  ARG 143           HB2      ARG 143  -8.342  -0.800  -3.192
   48    HB3  ARG 143           HB1      ARG 143  -7.199   0.496  -3.525
   49    HG2  ARG 143           HG2      ARG 143  -5.447  -1.125  -3.954
   50    HG3  ARG 143           HG1      ARG 143  -6.549  -2.443  -3.561
   51    HD2  ARG 143           HD2      ARG 143  -6.964  -0.468  -5.796
   52    HD3  ARG 143           HD1      ARG 143  -6.258  -2.071  -5.994
   53    HE   ARG 143           HE       ARG 143  -8.716  -2.388  -4.720
   54   HH11  ARG 143          HH11      ARG 143  -7.468  -1.290  -7.793
   55   HH12  ARG 143          HH12      ARG 143  -8.873  -1.768  -8.689
   56   HH21  ARG 143          HH21      ARG 143 -10.574  -3.047  -5.900
   57   HH22  ARG 143          HH22      ARG 143 -10.637  -2.773  -7.613
   58    H    GLN 144           HN       GLN 144  -5.121  -1.567  -0.201
   59    HA   GLN 144           HA       GLN 144  -2.947   0.083  -1.244
   60    HB2  GLN 144           HB2      GLN 144  -2.132   0.495   1.070
   61    HB3  GLN 144           HB1      GLN 144  -3.669   1.271   0.726
   62    HG2  GLN 144           HG2      GLN 144  -4.024   0.426   2.827
   63    HG3  GLN 144           HG1      GLN 144  -4.689  -0.851   1.814
   64   HE21  GLN 144          HE21      GLN 144  -4.402  -2.469   3.292
   65   HE22  GLN 144          HE22      GLN 144  -2.845  -3.060   3.761
   66    H    DAB 145           HN       DAB 145  -0.863  -0.789  -0.948
   67    HA   DAB 145           HA       DAB 145  -0.789  -3.579  -0.041
   68    HB2  DAB 145           HB1      DAB 145  -0.723  -3.567  -2.470
   69    HB3  DAB 145           HB2      DAB 145   0.816  -4.098  -1.814
   70    HG2  DAB 145           HG1      DAB 145   0.334  -1.271  -2.686
   71    HG3  DAB 145           HG2      DAB 145   0.886  -2.532  -3.780
   72    HD1  DAB 145           HD1      DAB 145   2.382  -1.633  -1.408
   73    H    SER 146           HN       SER 146  -0.139  -0.867   1.064
   74    HA   SER 146           HA       SER 146   1.327   0.115   2.470
   75    HB2  SER 146           HB2      SER 146   2.779  -1.165   3.738
   76    HB3  SER 146           HB1      SER 146   1.687  -2.414   3.143
   77    HG   SER 146           HG       SER 146   3.222  -2.765   1.427
   78    H    MET 147           HN       MET 147   3.028   1.486   2.298
   79    HA   MET 147           HA       MET 147   4.315   1.769  -0.233
   80    HB2  MET 147           HB2      MET 147   5.010   3.080   2.405
   81    HB3  MET 147           HB1      MET 147   5.524   3.615   0.812
   82    HG2  MET 147           HG2      MET 147   3.213   4.116   0.223
   83    HG3  MET 147           HG1      MET 147   2.684   3.554   1.809
   84    HE1  MET 147           HE1      MET 147   1.422   5.779   2.358
   85    HE2  MET 147           HE2      MET 147   1.825   6.382   0.751
   86    HE3  MET 147           HE3      MET 147   2.125   7.385   2.169
   87    H    THR 148           HN       THR 148   4.803  -0.275   2.337
   88    HA   THR 148           HA       THR 148   7.659  -0.254   2.453
   89    HB   THR 148           HB       THR 148   5.782  -2.376   3.501
   90    HG1  THR 148           HG1      THR 148   6.715  -0.103   4.937
   91   HG21  THR 148          HG21      THR 148   8.513  -1.454   4.403
   92   HG22  THR 148          HG22      THR 148   8.155  -2.964   3.565
   93   HG23  THR 148          HG23      THR 148   7.534  -2.691   5.193
   94    H    GLU 149           HN       GLU 149   5.397  -1.532   0.306
   95    HA   GLU 149           HA       GLU 149   6.806  -3.889  -0.449
   96    HB2  GLU 149           HB2      GLU 149   5.338  -3.975  -2.351
   97    HB3  GLU 149           HB1      GLU 149   4.404  -3.531  -0.935
   98    HG2  GLU 149           HG2      GLU 149   4.499  -1.173  -1.654
   99    HG3  GLU 149           HG1      GLU 149   5.345  -1.679  -3.109
  100    H    PHE 150           HN       PHE 150   7.147  -0.553  -1.117
  101    HA   PHE 150           HA       PHE 150   8.916  -1.000  -3.389
  102    HB2  PHE 150           HB2      PHE 150   8.140   1.582  -2.013
  103    HB3  PHE 150           HB1      PHE 150   9.052   1.447  -3.512
  104    HD1  PHE 150           HD1      PHE 150   7.796  -0.106  -5.325
  105    HD2  PHE 150           HD2      PHE 150   5.931   2.121  -2.214
  106    HE1  PHE 150           HE1      PHE 150   5.702  -0.068  -6.611
  107    HE2  PHE 150           HE2      PHE 150   3.834   2.161  -3.498
  108    HZ   PHE 150           HZ       PHE 150   3.718   1.065  -5.699
  109    H    TYR 151           HN       TYR 151   8.983  -0.217  -0.014
  110    HA   TYR 151           HA       TYR 151  11.735   0.574   0.055
  111    HB2  TYR 151           HB2      TYR 151  10.085   1.427   1.681
  112    HB3  TYR 151           HB1      TYR 151   9.856  -0.204   2.300
  113    HD1  TYR 151           HD1      TYR 151  11.171  -0.972   4.064
  114    HD2  TYR 151           HD2      TYR 151  12.451   2.426   1.853
  115    HE1  TYR 151           HE1      TYR 151  12.983  -0.610   5.683
  116    HE2  TYR 151           HE2      TYR 151  14.267   2.800   3.464
  117    HH   TYR 151           HH       TYR 151  14.863   2.269   5.730
  118    H    HIS 152           HN       HIS 152  13.489  -0.670   0.413
  119    HA   HIS 152           HA       HIS 152  13.139  -3.530   0.231
  120    HB2  HIS 152           HB2      HIS 152  14.909  -2.422  -1.065
  121    HB3  HIS 152           HB1      HIS 152  15.666  -1.872   0.427
  122    HD1  HIS 152           HD1      HIS 152  17.372  -3.394   1.426
  123    HD2  HIS 152           HD2      HIS 152  14.934  -5.344  -1.314
  124    HE1  HIS 152           HE1      HIS 152  18.348  -5.694   1.171
  125    HE2  HIS 152           HE2      HIS 152  16.935  -6.810  -0.591