*HEADER    CONTRACTILE PROTEIN                     07-AUG-13   2MBX              
*TITLE     STRUCTURE, DYNAMICS AND STABILITY OF ALLERGEN COD PARVALBUMIN GAD M 1 
*TITLE    2 BY SOLUTION AND HIGH-PRESSURE NMR.                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PARVALBUMIN BETA;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GADUS MORHUA;                                   
*SOURCE   3 ORGANISM_COMMON: ATLANTIC COD;                                       
*SOURCE   4 ORGANISM_TAXID: 8049;                                                
*SOURCE   5 EXPRESSION_SYSTEM: GADUS MORHUA;                                     
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 8049;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET17B                                     
*KEYWDS    ALLERGEN, PARVALBUMIN, EF-HAND, CONTRACTILE PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.H.MORAES, D.ACKERBAUER, M.BUBLIN, F.FERREIRA, F.C.L.ALMEIDA,        
*AUTHOR   2 H.BREITENEDER, A.VALENTE                                             
*REVDAT   1   20-AUG-14 2MBX    0                                                


assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG11) 2.906 1.056 1.056 weight 1.000 ! spec=13CNOESY2, no=2, id=681, vol=1.058010e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG21) 2.493 0.777 0.777 weight 1.000 ! spec=13CNOESY2, no=3, id=682, vol=2.007696e+06
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 3.186 1.269 1.269 weight 1.000 ! spec=13CNOESY2, no=4, id=683, vol=4.716064e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name   HN) 3.632 1.649 1.649 weight 1.000 ! spec=13CNOESY2, no=5, id=684, vol=2.601782e+05
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name   HA) 3.598 1.618 1.618 weight 1.000 ! spec=13CNOESY2, no=10, id=689, vol=2.880982e+05
assign (segid "   A" and resid    6 and name   HB) (segid "   A" and resid    6 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=13CNOESY2, no=11, id=690, vol=5.135155e+05
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    7 and name   HN) 4.725 2.790 2.790 weight 1.000 ! spec=13CNOESY2, no=13, id=692, vol=1.848824e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    7 and name   HN)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    7 and name   HN)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   46 and name   HN) 4.718 2.782 2.782 weight 1.000 ! spec=13CNOESY2, no=14, id=693, vol=2.531499e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   46 and name   HN)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   46 and name   HN)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   43 and name   HA) 3.071 1.179 1.179 weight 1.000 ! spec=13CNOESY2, no=15, id=694, vol=5.019575e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   43 and name   HA)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name   HA) 3.283 1.347 1.347 weight 1.000 ! spec=13CNOESY2, no=16, id=695, vol=5.425140e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   43 and name  HB2) 3.828 1.831 1.831 weight 1.000 ! spec=13CNOESY2, no=17, id=696, vol=3.615651e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   43 and name  HB1) 3.286 1.350 1.350 weight 1.000 ! spec=13CNOESY2, no=18, id=697, vol=3.095211e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   43 and name  HB1)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD12) 4.416 2.437 2.437 weight 1.000 ! spec=13CNOESY2, no=21, id=700, vol=2.228842e+05
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG21) 4.369 2.386 2.386 weight 1.000 ! spec=13CNOESY2, no=22, id=701, vol=2.437032e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG22)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid    7 and name   HN) 4.030 2.030 2.030 weight 1.000 ! spec=13CNOESY2, no=23, id=702, vol=2.169535e+05
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid    7 and name   HN)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid    7 and name   HN)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   43 and name   HA) 3.797 1.802 1.802 weight 1.000 ! spec=13CNOESY2, no=24, id=703, vol=3.122062e+05
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   43 and name   HA)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   43 and name   HA)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   43 and name  HB1) 2.695 0.908 0.908 weight 1.000 ! spec=13CNOESY2, no=27, id=706, vol=6.428458e+05
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   43 and name  HB1)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   39 and name  HB1) 4.118 2.120 2.120 weight 1.000 ! spec=13CNOESY2, no=28, id=707, vol=3.715221e+05
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   44 and name HD13) 4.875 2.971 2.971 weight 1.000 ! spec=13CNOESY2, no=32, id=711, vol=1.326664e+05
    or (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   44 and name HD12)
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   44 and name HD13)
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   44 and name HD12)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   44 and name HD13)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   44 and name HD12)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB1) 2.832 1.003 1.003 weight 1.000 ! spec=13CNOESY2, no=35, id=713, vol=8.464999e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name  HB2) 2.595 0.842 0.842 weight 1.000 ! spec=13CNOESY2, no=36, id=714, vol=1.208646e+06
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name HD11) 2.729 0.931 0.931 weight 1.000 ! spec=13CNOESY2, no=40, id=718, vol=7.128262e+05
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name HD13)
    or (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name HD12)
assign (segid "   A" and resid    7 and name  HB2) (segid "   A" and resid    7 and name  HB1) 2.137 0.571 0.571 weight 1.000 ! spec=13CNOESY2, no=44, id=722, vol=1.571128e+06
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name HD22) 2.942 1.082 1.082 weight 1.000 ! spec=13CNOESY2, no=45, id=723, vol=6.478644e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name HD21)
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid    7 and name HD23)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD22) 3.266 1.334 1.334 weight 1.000 ! spec=13CNOESY2, no=46, id=724, vol=1.129105e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD21)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD23)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   46 and name   HA) 4.035 2.035 2.035 weight 1.000 ! spec=13CNOESY2, no=47, id=725, vol=3.611422e+05
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   46 and name   HA)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   46 and name   HA)
assign (segid "   A" and resid    7 and name HD22) (segid "   A" and resid    9 and name   HA) 3.248 1.319 1.319 weight 1.000 ! spec=13CNOESY2, no=48, id=726, vol=4.157599e+05
    or (segid "   A" and resid    7 and name HD21) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid    7 and name HD23) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   46 and name  HE2) 3.706 1.717 1.717 weight 1.000 ! spec=13CNOESY2, no=50, id=728, vol=4.423889e+05
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   46 and name  HE2)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   46 and name  HE2)
assign (segid "   A" and resid    7 and name HD22) (segid "   A" and resid    7 and name   HG) 2.249 0.632 0.632 weight 1.000 ! spec=13CNOESY2, no=52, id=730, vol=2.132092e+06
    or (segid "   A" and resid    7 and name HD21) (segid "   A" and resid    7 and name   HG)
    or (segid "   A" and resid    7 and name HD23) (segid "   A" and resid    7 and name   HG)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2) 2.913 1.061 1.061 weight 1.000 ! spec=13CNOESY2, no=53, id=731, vol=5.976098e+05
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   97 and name  HG2) 3.239 1.311 1.311 weight 1.000 ! spec=13CNOESY2, no=54, id=732, vol=4.145944e+05
assign (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   98 and name HD11) 3.513 1.543 1.543 weight 1.000 ! spec=13CNOESY2, no=55, id=733, vol=4.966538e+05
    or (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   91 and name   HA) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   12 and name HD12) 4.041 2.042 2.042 weight 1.000 ! spec=13CNOESY2, no=56, id=734, vol=2.085491e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name  HB1) 3.538 1.565 1.565 weight 1.000 ! spec=13CNOESY2, no=61, id=739, vol=2.250314e+05
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name   HA) 3.446 1.485 1.485 weight 1.000 ! spec=13CNOESY2, no=62, id=740, vol=4.580206e+05
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   83 and name   HN) 3.620 1.638 1.638 weight 1.000 ! spec=13CNOESY2, no=65, id=743, vol=3.169844e+05
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   85 and name HG22) 3.526 1.554 1.554 weight 1.000 ! spec=13CNOESY2, no=67, id=745, vol=5.125799e+05
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   85 and name HG21)
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   85 and name HG23)
assign (segid "   A" and resid  101 and name  HB1) (segid "   A" and resid  101 and name   HA) 2.785 0.970 0.970 weight 1.000 ! spec=13CNOESY2, no=68, id=746, vol=1.102151e+06
assign (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HA) 3.096 1.198 1.198 weight 1.000 ! spec=13CNOESY2, no=69, id=747, vol=8.741239e+05
assign (segid "   A" and resid   39 and name  HE2) (segid "   A" and resid   36 and name   HG) 3.920 1.921 1.921 weight 1.000 ! spec=13CNOESY2, no=72, id=750, vol=3.482924e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name   HA) 2.680 0.898 0.898 weight 1.000 ! spec=13CNOESY2, no=75, id=753, vol=9.584152e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 3.026 1.144 1.144 weight 1.000 ! spec=13CNOESY2, no=78, id=756, vol=5.950478e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 3.265 1.333 1.333 weight 1.000 ! spec=13CNOESY2, no=79, id=757, vol=4.847869e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   18 and name   HN) 3.010 1.132 1.132 weight 1.000 ! spec=13CNOESY2, no=80, id=758, vol=5.719819e+05
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  108 and name   HN) 3.104 1.204 1.204 weight 1.000 ! spec=13CNOESY2, no=81, id=759, vol=6.101431e+05
assign (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   80 and name   HA) 3.023 1.143 1.143 weight 1.000 ! spec=13CNOESY2, no=82, id=760, vol=9.053359e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name   HB) 3.041 1.156 1.156 weight 1.000 ! spec=13CNOESY2, no=84, id=762, vol=5.658872e+05
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  104 and name  HA2) 3.242 1.314 1.314 weight 1.000 ! spec=13CNOESY2, no=86, id=763, vol=5.407365e+05
assign (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   80 and name  HB1) 3.745 1.753 1.753 weight 1.000 ! spec=13CNOESY2, no=88, id=765, vol=5.382290e+05
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  108 and name  HB2) 2.234 0.624 0.624 weight 1.000 ! spec=13CNOESY2, no=90, id=767, vol=2.487205e+06
assign (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   84 and name  HB1) 2.099 0.551 0.551 weight 1.000 ! spec=13CNOESY2, no=97, id=771, vol=3.040753e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name   HA) 2.952 1.090 1.090 weight 1.000 ! spec=13CNOESY2, no=98, id=772, vol=7.365579e+05
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   33 and name  HB1) 2.744 0.941 0.941 weight 1.000 ! spec=13CNOESY2, no=99, id=773, vol=1.340466e+06
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid    4 and name  HB3) (segid "   A" and resid    6 and name   HB) 2.672 0.892 0.892 weight 1.000 ! spec=13CNOESY2, no=100, id=774, vol=1.367492e+06
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    6 and name   HB)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name   HB)
assign (segid "   A" and resid    4 and name  HB3) (segid "   A" and resid    6 and name HG11) 2.429 0.737 0.737 weight 1.000 ! spec=13CNOESY2, no=101, id=775, vol=2.003679e+06
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    6 and name HG11)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   33 and name  HD2) 2.191 0.600 0.600 weight 1.000 ! spec=13CNOESY2, no=102, id=776, vol=2.589041e+06
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   33 and name  HD2)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   33 and name  HD2)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   11 and name  HB1) 3.828 1.831 1.831 weight 1.000 ! spec=13CNOESY2, no=103, id=777, vol=4.710031e+05
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   11 and name  HB1)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   10 and name  HB1) 3.290 1.353 1.353 weight 1.000 ! spec=13CNOESY2, no=104, id=778, vol=1.239422e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   10 and name  HB3)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   10 and name  HB1) 3.481 1.514 1.514 weight 1.000 ! spec=13CNOESY2, no=111, id=781, vol=4.742200e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   10 and name  HB3)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   26 and name   HN) 3.939 1.940 1.940 weight 1.000 ! spec=13CNOESY2, no=113, id=783, vol=1.941232e+05
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 3.083 1.188 1.188 weight 1.000 ! spec=13CNOESY2, no=116, id=786, vol=3.703829e+05
assign (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HB2) 2.140 0.572 0.572 weight 1.000 ! spec=13CNOESY2, no=120, id=790, vol=2.337809e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name HD12) 3.699 1.710 1.710 weight 1.000 ! spec=13CNOESY2, no=121, id=791, vol=1.493761e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   14 and name  HB1) 4.356 2.372 2.372 weight 1.000 ! spec=13CNOESY2, no=122, id=792, vol=2.574355e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   14 and name  HB3)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    8 and name  HB1) 1.987 0.493 0.493 weight 1.000 ! spec=13CNOESY2, no=123, id=793, vol=3.970614e+06
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   93 and name  HB1) 2.112 0.558 0.558 weight 1.000 ! spec=13CNOESY2, no=124, id=794, vol=3.018978e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 3.059 1.169 1.169 weight 1.000 ! spec=13CNOESY2, no=126, id=796, vol=4.485529e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name   HA) 3.632 1.649 1.649 weight 1.000 ! spec=13CNOESY2, no=127, id=797, vol=2.779759e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name   HB) 3.287 1.351 1.351 weight 1.000 ! spec=13CNOESY2, no=128, id=798, vol=3.516626e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HG12) 2.814 0.990 0.990 weight 1.000 ! spec=13CNOESY2, no=129, id=799, vol=7.483198e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG13) 2.189 0.599 0.599 weight 1.000 ! spec=13CNOESY2, no=132, id=802, vol=2.783985e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG21) 3.405 1.449 1.449 weight 1.000 ! spec=13CNOESY2, no=133, id=803, vol=6.077078e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   11 and name   HA) 3.702 1.713 1.713 weight 1.000 ! spec=13CNOESY2, no=134, id=804, vol=6.287629e+05
assign (segid "   A" and resid   12 and name   HB) (segid "   A" and resid    7 and name   HG) 3.971 1.971 1.971 weight 1.000 ! spec=13CNOESY2, no=139, id=809, vol=2.369446e+05
assign (segid "   A" and resid    7 and name HD22) (segid "   A" and resid   12 and name   HB) 2.767 0.957 0.957 weight 1.000 ! spec=13CNOESY2, no=141, id=811, vol=1.211124e+06
    or (segid "   A" and resid    7 and name HD21) (segid "   A" and resid   12 and name   HB)
    or (segid "   A" and resid    7 and name HD23) (segid "   A" and resid   12 and name   HB)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   11 and name   HA) 3.690 1.702 1.702 weight 1.000 ! spec=13CNOESY2, no=144, id=814, vol=6.565512e+05
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   11 and name   HA)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid    9 and name   HA) 3.724 1.734 1.734 weight 1.000 ! spec=13CNOESY2, no=145, id=815, vol=2.816999e+05
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD12) 3.527 1.555 1.555 weight 1.000 ! spec=13CNOESY2, no=146, id=816, vol=3.047604e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   11 and name  HB2) 3.548 1.574 1.574 weight 1.000 ! spec=13CNOESY2, no=147, id=817, vol=5.092714e+05
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD12) 2.946 1.085 1.085 weight 1.000 ! spec=13CNOESY2, no=148, id=818, vol=7.125570e+05
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid    7 and name  HB2) 3.695 1.707 1.707 weight 1.000 ! spec=13CNOESY2, no=150, id=820, vol=7.359776e+05
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid    7 and name  HB2)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid    7 and name  HB2)
assign (segid "   A" and resid   88 and name  HB1) (segid "   A" and resid   85 and name   HA) 2.868 1.028 1.028 weight 1.000 ! spec=13CNOESY2, no=152, id=822, vol=4.510275e+05
assign (segid "   A" and resid   84 and name  HB1) (segid "   A" and resid   84 and name   HA) 2.970 1.103 1.103 weight 1.000 ! spec=13CNOESY2, no=156, id=826, vol=1.078251e+06
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name  HB2) 3.584 1.605 1.605 weight 1.000 ! spec=13CNOESY2, no=157, id=827, vol=4.000139e+05
assign (segid "   A" and resid  108 and name  HB2) (segid "   A" and resid  109 and name   HN) 3.072 1.180 1.180 weight 1.000 ! spec=13CNOESY2, no=159, id=829, vol=6.730059e+05
assign (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   85 and name HG22) 3.524 1.553 1.553 weight 1.000 ! spec=13CNOESY2, no=169, id=839, vol=7.751080e+05
    or (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   85 and name HG21)
    or (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   85 and name HG23)
assign (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   88 and name  HD1) 1.849 0.427 0.427 weight 1.000 ! spec=13CNOESY2, no=170, id=840, vol=6.217567e+06
assign (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   51 and name HG21) 3.503 1.534 1.534 weight 1.000 ! spec=13CNOESY2, no=171, id=841, vol=7.367498e+05
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   46 and name  HB1) (segid "   A" and resid   46 and name  HG2) 2.021 0.510 0.510 weight 1.000 ! spec=13CNOESY2, no=172, id=842, vol=3.755382e+06
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   77 and name  HB2) 2.860 1.022 1.022 weight 1.000 ! spec=13CNOESY2, no=173, id=843, vol=8.932274e+05
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   66 and name HD11) 2.889 1.043 1.043 weight 1.000 ! spec=13CNOESY2, no=174, id=844, vol=4.990805e+05
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   66 and name HD13)
    or (segid "   A" and resid   65 and name  HB2) (segid "   A" and resid   66 and name HD12)
assign (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG12) 2.414 0.729 0.729 weight 1.000 ! spec=13CNOESY2, no=176, id=846, vol=1.217252e+06
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   59 and name   HB) (segid "   A" and resid  100 and name HG21) 3.507 1.537 1.537 weight 1.000 ! spec=13CNOESY2, no=177, id=847, vol=3.065378e+05
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HA) 2.531 0.801 0.801 weight 1.000 ! spec=13CNOESY2, no=179, id=849, vol=1.805780e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name   HN) 2.760 0.952 0.952 weight 1.000 ! spec=13CNOESY2, no=180, id=850, vol=1.212430e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.926 1.070 1.070 weight 1.000 ! spec=13CNOESY2, no=181, id=851, vol=8.407334e+05
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name HG22) 2.633 0.866 0.866 weight 1.000 ! spec=13CNOESY2, no=182, id=852, vol=3.448699e+06
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   11 and name   HA) 3.642 1.658 1.658 weight 1.000 ! spec=13CNOESY2, no=185, id=855, vol=3.626994e+05
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name   HA) 2.970 1.103 1.103 weight 1.000 ! spec=13CNOESY2, no=186, id=856, vol=7.089650e+05
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   16 and name  HB2) 3.800 1.805 1.805 weight 1.000 ! spec=13CNOESY2, no=188, id=858, vol=5.117384e+05
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG22) 2.587 0.836 0.836 weight 1.000 ! spec=13CNOESY2, no=190, id=860, vol=1.269539e+06
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   16 and name HD22) 3.585 1.607 1.607 weight 1.000 ! spec=13CNOESY2, no=191, id=861, vol=6.362542e+05
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   16 and name HD23)
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   12 and name   HA) 4.405 2.425 2.425 weight 1.000 ! spec=13CNOESY2, no=193, id=863, vol=1.731332e+05
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   17 and name  HB3) 2.471 0.763 0.763 weight 1.000 ! spec=13CNOESY2, no=197, id=866, vol=9.468319e+05
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   17 and name  HB2)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   17 and name  HB3)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   17 and name  HB2)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   17 and name  HB3)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HD22) 3.123 1.219 1.219 weight 1.000 ! spec=13CNOESY2, no=198, id=867, vol=1.053924e+06
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HD23)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HD22)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HD23)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HD22)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HD23)
assign (segid "   A" and resid  105 and name  HB3) (segid "   A" and resid  104 and name   HN) 3.588 1.610 1.610 weight 1.000 ! spec=13CNOESY2, no=205, id=874, vol=7.805691e+05
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  104 and name   HN)
    or (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  104 and name   HN)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name   HN) 2.605 0.848 0.848 weight 1.000 ! spec=13CNOESY2, no=206, id=875, vol=1.166224e+06
    or (segid "   A" and resid   14 and name  HB3) (segid "   A" and resid   15 and name   HN)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid  105 and name  HB3) (segid "   A" and resid  105 and name   HA) 1.977 0.489 0.489 weight 1.000 ! spec=13CNOESY2, no=209, id=878, vol=6.924866e+06
    or (segid "   A" and resid  105 and name  HB2) (segid "   A" and resid  105 and name   HA)
    or (segid "   A" and resid  105 and name  HB1) (segid "   A" and resid  105 and name   HA)
assign (segid "   A" and resid   81 and name  HB1) (segid "   A" and resid   80 and name   HA) 3.728 1.737 1.737 weight 1.000 ! spec=13CNOESY2, no=210, id=879, vol=6.795598e+05
    or (segid "   A" and resid   81 and name  HB2) (segid "   A" and resid   80 and name   HA)
    or (segid "   A" and resid   81 and name  HB3) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   30 and name   HA) 2.313 0.669 0.669 weight 1.000 ! spec=13CNOESY2, no=211, id=880, vol=1.873528e+06
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   30 and name   HA)
assign (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid  106 and name  HG1) 3.018 1.139 1.139 weight 1.000 ! spec=13CNOESY2, no=212, id=881, vol=7.464910e+05
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid  106 and name  HG1)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid  106 and name  HG1)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   34 and name HG13) 2.529 0.800 0.800 weight 1.000 ! spec=13CNOESY2, no=213, id=882, vol=1.336640e+06
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   34 and name HG11)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   34 and name HG13)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   34 and name HG11)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   34 and name HG13)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  106 and name   HA) 3.690 1.702 1.702 weight 1.000 ! spec=13CNOESY2, no=216, id=885, vol=3.928659e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name HG22) 2.847 1.013 1.013 weight 1.000 ! spec=13CNOESY2, no=217, id=886, vol=2.729475e+06
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name   HN) 3.650 1.665 1.665 weight 1.000 ! spec=13CNOESY2, no=222, id=889, vol=2.593390e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   19 and name   HN) 3.555 1.580 1.580 weight 1.000 ! spec=13CNOESY2, no=223, id=890, vol=2.624839e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB2) 2.792 0.975 0.975 weight 1.000 ! spec=13CNOESY2, no=225, id=892, vol=1.140316e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name  HB1) 2.673 0.893 0.893 weight 1.000 ! spec=13CNOESY2, no=226, id=893, vol=1.099238e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HD11) 2.393 0.716 0.716 weight 1.000 ! spec=13CNOESY2, no=227, id=894, vol=2.161570e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HD13)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   68 and name HD23) 3.739 1.748 1.748 weight 1.000 ! spec=13CNOESY2, no=228, id=895, vol=2.736911e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   68 and name HD22)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   13 and name   HA) 2.803 0.982 0.982 weight 1.000 ! spec=13CNOESY2, no=232, id=898, vol=1.352368e+06
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   68 and name   HA) 3.479 1.513 1.513 weight 1.000 ! spec=13CNOESY2, no=233, id=899, vol=3.463070e+05
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   75 and name  HB1) 2.133 0.569 0.569 weight 1.000 ! spec=13CNOESY2, no=235, id=901, vol=2.531083e+06
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   75 and name  HB3)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   75 and name  HB1)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   75 and name  HB3)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   75 and name  HB1)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   68 and name HD23) 2.504 0.784 0.784 weight 1.000 ! spec=13CNOESY2, no=236, id=902, vol=1.149728e+06
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   68 and name HD22)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name   HG) 2.291 0.656 0.656 weight 1.000 ! spec=13CNOESY2, no=237, id=903, vol=1.696530e+06
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name   HG)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name   HG)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name  HB1) 2.317 0.671 0.671 weight 1.000 ! spec=13CNOESY2, no=238, id=904, vol=2.088926e+06
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name  HB1)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD11) 4.223 2.229 2.229 weight 1.000 ! spec=13CNOESY2, no=240, id=906, vol=2.992179e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD13)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   68 and name   HA) 3.354 1.406 1.406 weight 1.000 ! spec=13CNOESY2, no=241, id=907, vol=6.140768e+05
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   68 and name   HA)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name   HG) 2.146 0.576 0.576 weight 1.000 ! spec=13CNOESY2, no=246, id=911, vol=2.967921e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name   HG)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name   HG)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   75 and name  HB1) 2.287 0.654 0.654 weight 1.000 ! spec=13CNOESY2, no=247, id=912, vol=2.087106e+06
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   75 and name  HB3)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   75 and name  HB1)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   75 and name  HB3)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   75 and name  HB1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   68 and name HD23) 2.949 1.087 1.087 weight 1.000 ! spec=13CNOESY2, no=248, id=913, vol=2.804226e+05
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   68 and name HD22)
assign (segid "   A" and resid   16 and name   HG) (segid "   A" and resid   13 and name   HN) 3.773 1.779 1.779 weight 1.000 ! spec=13CNOESY2, no=249, id=914, vol=3.303122e+05
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   14 and name  HB1) 3.313 1.372 1.372 weight 1.000 ! spec=13CNOESY2, no=251, id=916, vol=8.984969e+05
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   14 and name  HB3)
    or (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid   86 and name  HB2) 3.931 1.932 1.932 weight 1.000 ! spec=13CNOESY2, no=252, id=917, vol=3.369851e+05
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid   86 and name  HB2)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid   86 and name  HB2)
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   19 and name  HB1) 3.385 1.433 1.433 weight 1.000 ! spec=13CNOESY2, no=253, id=918, vol=3.908429e+05
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   19 and name  HB1)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid  106 and name  HG2) 2.840 1.008 1.008 weight 1.000 ! spec=13CNOESY2, no=254, id=919, vol=1.176072e+06
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid  106 and name  HG2)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid  106 and name  HG2)
assign (segid "   A" and resid   81 and name  HB1) (segid "   A" and resid   84 and name  HB1) 2.969 1.102 1.102 weight 1.000 ! spec=13CNOESY2, no=255, id=920, vol=1.420888e+06
    or (segid "   A" and resid   81 and name  HB2) (segid "   A" and resid   84 and name  HB1)
    or (segid "   A" and resid   81 and name  HB3) (segid "   A" and resid   84 and name  HB1)
assign (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid  106 and name  HE1) 2.008 0.504 0.504 weight 1.000 ! spec=13CNOESY2, no=256, id=921, vol=2.513433e+06
    or (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid   89 and name  HB3) (segid "   A" and resid  106 and name  HE3)
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid  106 and name  HE1)
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid   89 and name  HB1) (segid "   A" and resid  106 and name  HE3)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid  106 and name  HE1)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid   89 and name  HB2) (segid "   A" and resid  106 and name  HE3)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   17 and name   HN) 4.259 2.267 2.267 weight 1.000 ! spec=13CNOESY2, no=259, id=924, vol=2.766378e+05
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB1) 2.154 0.580 0.580 weight 1.000 ! spec=13CNOESY2, no=261, id=925, vol=4.588162e+06
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   18 and name  HB1) (segid "   A" and resid   26 and name   HN) 3.581 1.603 1.603 weight 1.000 ! spec=13CNOESY2, no=262, id=926, vol=2.157286e+05
    or (segid "   A" and resid   18 and name  HB3) (segid "   A" and resid   26 and name   HN)
    or (segid "   A" and resid   18 and name  HB2) (segid "   A" and resid   26 and name   HN)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.714 1.724 1.724 weight 1.000 ! spec=13CNOESY2, no=265, id=929, vol=2.380122e+05
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 2.565 0.823 0.823 weight 1.000 ! spec=13CNOESY2, no=266, id=930, vol=1.517072e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.606 0.849 0.849 weight 1.000 ! spec=13CNOESY2, no=267, id=931, vol=1.738020e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name  HB1) 3.664 1.678 1.678 weight 1.000 ! spec=13CNOESY2, no=269, id=933, vol=2.971289e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   25 and name   HA) 3.416 1.459 1.459 weight 1.000 ! spec=13CNOESY2, no=272, id=936, vol=2.612190e+05
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HB1) 2.161 0.584 0.584 weight 1.000 ! spec=13CNOESY2, no=276, id=940, vol=1.907004e+06
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name  HB2) 4.224 2.230 2.230 weight 1.000 ! spec=13CNOESY2, no=277, id=941, vol=2.714506e+05
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   21 and name  HB3)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name HG21) 3.204 1.283 1.283 weight 1.000 ! spec=13CNOESY2, no=278, id=942, vol=9.701779e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name HG23)
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   12 and name HG22)
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   49 and name  HB1) 2.344 0.687 0.687 weight 1.000 ! spec=13CNOESY2, no=283, id=946, vol=2.179850e+06
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   86 and name  HB1) 3.313 1.372 1.372 weight 1.000 ! spec=13CNOESY2, no=284, id=947, vol=5.373879e+05
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HB1) 2.719 0.924 0.924 weight 1.000 ! spec=13CNOESY2, no=285, id=948, vol=1.321591e+06
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HA) 2.782 0.967 0.967 weight 1.000 ! spec=13CNOESY2, no=288, id=951, vol=9.151674e+05
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   64 and name   HN) 3.544 1.570 1.570 weight 1.000 ! spec=13CNOESY2, no=291, id=953, vol=6.817611e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name   HA) 2.888 1.042 1.042 weight 1.000 ! spec=13CNOESY2, no=292, id=954, vol=7.294635e+05
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   50 and name HD12) 2.957 1.093 1.093 weight 1.000 ! spec=13CNOESY2, no=294, id=955, vol=7.644869e+05
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name   HA) 3.122 1.219 1.219 weight 1.000 ! spec=13CNOESY2, no=298, id=958, vol=5.399004e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   49 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=13CNOESY2, no=300, id=960, vol=1.068679e+06
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   70 and name   HN) 3.872 1.874 1.874 weight 1.000 ! spec=13CNOESY2, no=301, id=961, vol=6.784599e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name   HA) 3.298 1.360 1.360 weight 1.000 ! spec=13CNOESY2, no=302, id=962, vol=4.101742e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HD2) 3.556 1.581 1.581 weight 1.000 ! spec=13CNOESY2, no=303, id=963, vol=2.988776e+05
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   67 and name  HD1) 3.927 1.928 1.928 weight 1.000 ! spec=13CNOESY2, no=304, id=964, vol=5.067254e+05
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HD1) 3.699 1.710 1.710 weight 1.000 ! spec=13CNOESY2, no=305, id=965, vol=4.603750e+05
    or (segid "   A" and resid   71 and name   HA) (segid "   A" and resid   71 and name  HD2)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=13CNOESY2, no=306, id=966, vol=1.096085e+06
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name   HA) 2.816 0.991 0.991 weight 1.000 ! spec=13CNOESY2, no=310, id=970, vol=1.125753e+06
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   82 and name  HB1) 2.598 0.844 0.844 weight 1.000 ! spec=13CNOESY2, no=311, id=971, vol=1.582780e+06
assign (segid "   A" and resid   88 and name  HD1) (segid "   A" and resid   88 and name   HA) 3.423 1.465 1.465 weight 1.000 ! spec=13CNOESY2, no=317, id=977, vol=7.409896e+05
assign (segid "   A" and resid   55 and name  HB1) (segid "   A" and resid   55 and name   HA) 3.070 1.178 1.178 weight 1.000 ! spec=13CNOESY2, no=318, id=978, vol=5.372752e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   44 and name   HA) 4.061 2.061 2.061 weight 1.000 ! spec=13CNOESY2, no=321, id=981, vol=2.610224e+05
assign (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   65 and name  HG2) 2.528 0.799 0.799 weight 1.000 ! spec=13CNOESY2, no=325, id=984, vol=1.494900e+06
assign (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   50 and name HG11) 1.916 0.459 0.459 weight 1.000 ! spec=13CNOESY2, no=326, id=985, vol=2.426067e+06
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   24 and name  HB2) 3.094 1.196 1.196 weight 1.000 ! spec=13CNOESY2, no=336, id=995, vol=5.158556e+05
    or (segid "   A" and resid   21 and name  HB1) (segid "   A" and resid   24 and name  HB2)
    or (segid "   A" and resid   21 and name  HB3) (segid "   A" and resid   24 and name  HB2)
assign (segid "   A" and resid   53 and name   HA) (segid "   A" and resid   63 and name  HG2) 3.831 1.835 1.835 weight 1.000 ! spec=13CNOESY2, no=339, id=997, vol=7.542012e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HG2) 2.919 1.065 1.065 weight 1.000 ! spec=13CNOESY2, no=341, id=999, vol=1.386337e+06
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=13CNOESY2, no=346, id=1004, vol=8.480856e+05
assign (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   66 and name HD22) 4.249 2.257 2.257 weight 1.000 ! spec=13CNOESY2, no=348, id=1006, vol=3.273068e+05
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   54 and name   HN) 3.665 1.679 1.679 weight 1.000 ! spec=13CNOESY2, no=351, id=1008, vol=3.855604e+05
assign (segid "   A" and resid   53 and name  HB1) (segid "   A" and resid   68 and name   HN) 3.942 1.943 1.943 weight 1.000 ! spec=13CNOESY2, no=353, id=1009, vol=2.269086e+05
assign (segid "   A" and resid   22 and name  HB2) (segid "   A" and resid   22 and name   HN) 3.673 1.687 1.687 weight 1.000 ! spec=13CNOESY2, no=354, id=1010, vol=2.299735e+05
assign (segid "   A" and resid   27 and name  HB2) (segid "   A" and resid   86 and name   HN) 4.184 2.188 2.188 weight 1.000 ! spec=13CNOESY2, no=356, id=1011, vol=3.226879e+05
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   52 and name  HB1) 3.608 1.627 1.627 weight 1.000 ! spec=13CNOESY2, no=358, id=1012, vol=7.562880e+05
assign (segid "   A" and resid   90 and name  HA2) (segid "   A" and resid   90 and name  HA1) 1.904 0.453 0.453 weight 1.000 ! spec=13CNOESY2, no=360, id=1014, vol=4.518826e+06
assign (segid "   A" and resid    5 and name  HA2) (segid "   A" and resid    8 and name   HA) 3.158 1.246 1.246 weight 1.000 ! spec=13CNOESY2, no=362, id=1016, vol=4.498555e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HA1) 3.701 1.712 1.712 weight 1.000 ! spec=13CNOESY2, no=364, id=1018, vol=2.459881e+05
assign (segid "   A" and resid   23 and name  HA1) (segid "   A" and resid   23 and name  HA2) 1.960 0.480 0.480 weight 1.000 ! spec=13CNOESY2, no=366, id=1020, vol=4.379100e+06
assign (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   89 and name  HB3) 3.758 1.765 1.765 weight 1.000 ! spec=13CNOESY2, no=367, id=1021, vol=3.574536e+05
    or (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   89 and name  HB1)
    or (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 3.086 1.190 1.190 weight 1.000 ! spec=13CNOESY2, no=369, id=1023, vol=6.961100e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA) 3.353 1.406 1.406 weight 1.000 ! spec=13CNOESY2, no=370, id=1024, vol=3.703000e+05
assign (segid "   A" and resid   24 and name  HB2) (segid "   A" and resid   21 and name   HA) 3.216 1.293 1.293 weight 1.000 ! spec=13CNOESY2, no=374, id=1028, vol=6.229788e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HD1) 2.993 1.120 1.120 weight 1.000 ! spec=13CNOESY2, no=378, id=1032, vol=1.248752e+06
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   24 and name  HB2) 3.628 1.646 1.646 weight 1.000 ! spec=13CNOESY2, no=380, id=1034, vol=2.780864e+05
assign (segid "   A" and resid   19 and name  HB1) (segid "   A" and resid   25 and name   HA) 2.738 0.937 0.937 weight 1.000 ! spec=13CNOESY2, no=381, id=1035, vol=7.841725e+05
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   25 and name  HB2) 2.600 0.845 0.845 weight 1.000 ! spec=13CNOESY2, no=382, id=1036, vol=1.399051e+06
assign (segid "   A" and resid   25 and name  HB1) (segid "   A" and resid   25 and name   HA) 3.055 1.166 1.166 weight 1.000 ! spec=13CNOESY2, no=387, id=1040, vol=4.069504e+05
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  107 and name   HA) 2.591 0.839 0.839 weight 1.000 ! spec=13CNOESY2, no=390, id=1042, vol=1.598364e+06
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   34 and name   HA) 3.959 1.959 1.959 weight 1.000 ! spec=13CNOESY2, no=391, id=1043, vol=5.476396e+05
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid   12 and name   HN) 3.776 1.782 1.782 weight 1.000 ! spec=13CNOESY2, no=393, id=1044, vol=3.218348e+05
assign (segid "   A" and resid   25 and name  HB2) (segid "   A" and resid   27 and name   HN) 2.977 1.108 1.108 weight 1.000 ! spec=13CNOESY2, no=395, id=1046, vol=5.697788e+05
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   66 and name HD22) 3.605 1.625 1.625 weight 1.000 ! spec=13CNOESY2, no=399, id=1050, vol=2.177285e+05
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name   HA) 2.894 1.047 1.047 weight 1.000 ! spec=13CNOESY2, no=405, id=1055, vol=1.016481e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   48 and name   HN) 3.455 1.492 1.492 weight 1.000 ! spec=13CNOESY2, no=406, id=1056, vol=3.655852e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name   HN) 3.496 1.527 1.527 weight 1.000 ! spec=13CNOESY2, no=407, id=1057, vol=3.465060e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name   HA) 2.297 0.660 0.660 weight 1.000 ! spec=13CNOESY2, no=408, id=1058, vol=2.423842e+06
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=13CNOESY2, no=409, id=1059, vol=1.161105e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   30 and name  HD2) 4.181 2.185 2.185 weight 1.000 ! spec=13CNOESY2, no=412, id=1062, vol=2.036552e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   27 and name  HB1) (segid "   A" and resid   28 and name  HB2) 3.604 1.623 1.623 weight 1.000 ! spec=13CNOESY2, no=413, id=1063, vol=5.934642e+05
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   91 and name  HB2) 2.725 0.929 0.929 weight 1.000 ! spec=13CNOESY2, no=414, id=1064, vol=7.384658e+05
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   49 and name  HG1) 3.128 1.223 1.223 weight 1.000 ! spec=13CNOESY2, no=415, id=1065, vol=7.989259e+05
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   52 and name  HB2) 2.427 0.736 0.736 weight 1.000 ! spec=13CNOESY2, no=416, id=1066, vol=2.037963e+06
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   28 and name  HB1) 3.777 1.783 1.783 weight 1.000 ! spec=13CNOESY2, no=418, id=1068, vol=4.984042e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG13) 3.387 1.434 1.434 weight 1.000 ! spec=13CNOESY2, no=422, id=1072, vol=7.303971e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG21) 2.902 1.052 1.052 weight 1.000 ! spec=13CNOESY2, no=423, id=1073, vol=7.568894e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name   HA) 3.540 1.566 1.566 weight 1.000 ! spec=13CNOESY2, no=426, id=1076, vol=3.762296e+05
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name  HB2) 1.694 0.359 0.359 weight 1.000 ! spec=13CNOESY2, no=428, id=1078, vol=6.116375e+06
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=13CNOESY2, no=429, id=1079, vol=8.739516e+05
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HE2) 4.302 2.313 2.313 weight 1.000 ! spec=13CNOESY2, no=433, id=1083, vol=2.504835e+05
assign (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG13) 2.180 0.594 0.594 weight 1.000 ! spec=13CNOESY2, no=435, id=1085, vol=2.549968e+06
    or (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   28 and name  HB2) (segid "   A" and resid   28 and name  HG2) 2.566 0.823 0.823 weight 1.000 ! spec=13CNOESY2, no=437, id=1087, vol=1.336122e+06
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name   HA) 3.655 1.670 1.670 weight 1.000 ! spec=13CNOESY2, no=438, id=1088, vol=2.987980e+05
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   36 and name  HB2) 2.246 0.630 0.630 weight 1.000 ! spec=13CNOESY2, no=440, id=1090, vol=2.186136e+06
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   36 and name  HB2)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   36 and name   HG) 2.310 0.667 0.667 weight 1.000 ! spec=13CNOESY2, no=442, id=1092, vol=1.699574e+06
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   36 and name   HG)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   36 and name   HG)
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  108 and name   HN) 4.345 2.360 2.360 weight 1.000 ! spec=13CNOESY2, no=446, id=1096, vol=2.538816e+05
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  108 and name  HD2) 3.140 1.232 1.232 weight 1.000 ! spec=13CNOESY2, no=447, id=1097, vol=3.886032e+05
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   33 and name  HB2) 3.253 1.323 1.323 weight 1.000 ! spec=13CNOESY2, no=448, id=1098, vol=3.105532e+05
assign (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=13CNOESY2, no=449, id=1099, vol=3.714081e+06
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name  HB3)
    or (segid "   A" and resid  109 and name   HA) (segid "   A" and resid  109 and name  HB2)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB2) 2.009 0.504 0.504 weight 1.000 ! spec=13CNOESY2, no=450, id=1100, vol=4.308611e+06
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   29 and name   HA) (segid "   A" and resid   28 and name  HB1) 3.091 1.194 1.194 weight 1.000 ! spec=13CNOESY2, no=451, id=1101, vol=6.988692e+05
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   65 and name  HE2) 3.417 1.459 1.459 weight 1.000 ! spec=13CNOESY2, no=455, id=1105, vol=4.304829e+05
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   65 and name  HE2)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   65 and name  HE2)
assign (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   29 and name  HB2) 2.774 0.962 0.962 weight 1.000 ! spec=13CNOESY2, no=456, id=1106, vol=1.035546e+06
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   26 and name  HB2) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   33 and name  HB2) 2.808 0.986 0.986 weight 1.000 ! spec=13CNOESY2, no=459, id=1109, vol=7.733740e+05
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   29 and name  HB3) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   29 and name  HB2) (segid "   A" and resid   33 and name  HB1) 3.399 1.444 1.444 weight 1.000 ! spec=13CNOESY2, no=461, id=1111, vol=6.830299e+05
    or (segid "   A" and resid   29 and name  HB1) (segid "   A" and resid   33 and name  HB1)
    or (segid "   A" and resid   29 and name  HB3) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   29 and name   HN) 4.266 2.275 2.275 weight 1.000 ! spec=13CNOESY2, no=463, id=1113, vol=1.942704e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HD2) 3.438 1.477 1.477 weight 1.000 ! spec=13CNOESY2, no=464, id=1114, vol=6.141014e+05
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HE2) 4.506 2.538 2.538 weight 1.000 ! spec=13CNOESY2, no=465, id=1115, vol=2.137369e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   30 and name  HB2) 2.483 0.771 0.771 weight 1.000 ! spec=13CNOESY2, no=466, id=1116, vol=1.270339e+06
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HB1) 3.394 1.440 1.440 weight 1.000 ! spec=13CNOESY2, no=467, id=1117, vol=3.800462e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   33 and name  HD2) 2.950 1.088 1.088 weight 1.000 ! spec=13CNOESY2, no=469, id=1119, vol=4.487395e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   34 and name HG13) 3.204 1.283 1.283 weight 1.000 ! spec=13CNOESY2, no=470, id=1120, vol=6.399598e+05
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.863 1.025 1.025 weight 1.000 ! spec=13CNOESY2, no=471, id=1121, vol=7.714340e+05
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  102 and name   HN) 3.298 1.359 1.359 weight 1.000 ! spec=13CNOESY2, no=472, id=1122, vol=3.539922e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 3.205 1.284 1.284 weight 1.000 ! spec=13CNOESY2, no=473, id=1123, vol=4.720849e+05
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HD2) 3.544 1.570 1.570 weight 1.000 ! spec=13CNOESY2, no=474, id=1124, vol=4.946664e+05
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HD2) 3.699 1.710 1.710 weight 1.000 ! spec=13CNOESY2, no=475, id=1125, vol=3.962924e+05
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   30 and name   HA) 3.242 1.313 1.313 weight 1.000 ! spec=13CNOESY2, no=478, id=1128, vol=6.193672e+05
assign (segid "   A" and resid   39 and name  HE2) (segid "   A" and resid   36 and name   HA) 3.051 1.164 1.164 weight 1.000 ! spec=13CNOESY2, no=483, id=1131, vol=3.720719e+05
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   15 and name  HB1) 3.183 1.267 1.267 weight 1.000 ! spec=13CNOESY2, no=484, id=1132, vol=4.893962e+05
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   36 and name   HN) 2.552 0.814 0.814 weight 1.000 ! spec=13CNOESY2, no=490, id=1138, vol=1.749917e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB1) 2.655 0.881 0.881 weight 1.000 ! spec=13CNOESY2, no=492, id=1140, vol=9.862254e+05
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   37 and name  HB3) 3.310 1.369 1.369 weight 1.000 ! spec=13CNOESY2, no=494, id=1142, vol=8.016289e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid  107 and name HG23) 4.358 2.374 2.374 weight 1.000 ! spec=13CNOESY2, no=495, id=1143, vol=2.263432e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name   HN) 3.487 1.520 1.520 weight 1.000 ! spec=13CNOESY2, no=497, id=1145, vol=2.924582e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   30 and name  HD2) 4.234 2.241 2.241 weight 1.000 ! spec=13CNOESY2, no=498, id=1146, vol=3.493238e+05
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   31 and name  HB2) 2.185 0.597 0.597 weight 1.000 ! spec=13CNOESY2, no=499, id=1147, vol=1.820066e+06
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name  HB1) 2.995 1.121 1.121 weight 1.000 ! spec=13CNOESY2, no=500, id=1148, vol=3.656324e+05
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name HD22) 3.435 1.475 1.475 weight 1.000 ! spec=13CNOESY2, no=501, id=1149, vol=4.194718e+05
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name HD23)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   34 and name HG13) 4.110 2.111 2.111 weight 1.000 ! spec=13CNOESY2, no=502, id=1150, vol=3.436450e+05
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   36 and name   HN) 3.832 1.836 1.836 weight 1.000 ! spec=13CNOESY2, no=504, id=1152, vol=4.360200e+05
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name  HD2) 4.674 2.730 2.730 weight 1.000 ! spec=13CNOESY2, no=505, id=1153, vol=2.049029e+05
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   31 and name  HB2) 3.112 1.211 1.211 weight 1.000 ! spec=13CNOESY2, no=506, id=1154, vol=9.551019e+05
assign (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   37 and name  HB3) 2.757 0.950 0.950 weight 1.000 ! spec=13CNOESY2, no=514, id=1162, vol=1.267227e+06
    or (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   32 and name   HB) 3.374 1.423 1.423 weight 1.000 ! spec=13CNOESY2, no=516, id=1164, vol=5.187236e+05
assign (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   37 and name   HN) 3.907 1.908 1.908 weight 1.000 ! spec=13CNOESY2, no=518, id=1166, vol=3.083771e+05
assign (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   32 and name HG22) 2.326 0.676 0.676 weight 1.000 ! spec=13CNOESY2, no=520, id=1168, vol=2.270992e+06
    or (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   32 and name   HB) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   31 and name  HB2) 4.146 2.149 2.149 weight 1.000 ! spec=13CNOESY2, no=523, id=1171, vol=2.924878e+05
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   28 and name  HE2) 3.867 1.870 1.870 weight 1.000 ! spec=13CNOESY2, no=524, id=1172, vol=3.052056e+05
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   28 and name  HE2)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   28 and name  HE2)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   33 and name  HB2) 2.921 1.067 1.067 weight 1.000 ! spec=13CNOESY2, no=525, id=1173, vol=8.993409e+05
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   33 and name  HB2)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   33 and name  HB2)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   28 and name  HB1) 3.044 1.158 1.158 weight 1.000 ! spec=13CNOESY2, no=526, id=1174, vol=1.360482e+06
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   28 and name  HB1)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   28 and name  HB1)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   33 and name  HE1) 4.104 2.105 2.105 weight 1.000 ! spec=13CNOESY2, no=528, id=1176, vol=2.732731e+05
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   33 and name  HE1)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   33 and name  HE1)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   34 and name HG21) 3.746 1.754 1.754 weight 1.000 ! spec=13CNOESY2, no=531, id=1179, vol=4.612859e+05
    or (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   34 and name HG23)
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   34 and name HG21)
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   34 and name HG23)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   34 and name HG21)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   32 and name HG22) (segid "   A" and resid   35 and name   HN) 4.139 2.141 2.141 weight 1.000 ! spec=13CNOESY2, no=532, id=1180, vol=2.617602e+05
    or (segid "   A" and resid   32 and name HG21) (segid "   A" and resid   35 and name   HN)
    or (segid "   A" and resid   32 and name HG23) (segid "   A" and resid   35 and name   HN)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name   HA) 3.367 1.417 1.417 weight 1.000 ! spec=13CNOESY2, no=533, id=1181, vol=4.243340e+05
assign (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   50 and name   HA) 3.344 1.398 1.398 weight 1.000 ! spec=13CNOESY2, no=536, id=1184, vol=5.293280e+05
assign (segid "   A" and resid   88 and name  HD2) (segid "   A" and resid   88 and name   HA) 1.952 0.476 0.476 weight 1.000 ! spec=13CNOESY2, no=540, id=1188, vol=3.893786e+06
assign (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  105 and name  HB3) 2.252 0.634 0.634 weight 1.000 ! spec=13CNOESY2, no=541, id=1189, vol=3.738834e+06
    or (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  105 and name  HB2)
    or (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   98 and name HD11) 3.798 1.803 1.803 weight 1.000 ! spec=13CNOESY2, no=542, id=1190, vol=3.804758e+05
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   35 and name   HN) 3.896 1.897 1.897 weight 1.000 ! spec=13CNOESY2, no=543, id=1191, vol=5.865262e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   32 and name   HA) 3.783 1.789 1.789 weight 1.000 ! spec=13CNOESY2, no=544, id=1192, vol=4.369739e+05
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name  HB1) 1.749 0.382 0.382 weight 1.000 ! spec=13CNOESY2, no=545, id=1193, vol=5.026633e+06
assign (segid "   A" and resid   33 and name  HB2) (segid "   A" and resid   33 and name  HG1) 2.447 0.749 0.749 weight 1.000 ! spec=13CNOESY2, no=546, id=1194, vol=1.105039e+06
assign (segid "   A" and resid   65 and name  HD1) (segid "   A" and resid   61 and name  HG1) 2.999 1.124 1.124 weight 1.000 ! spec=13CNOESY2, no=550, id=1198, vol=1.129812e+06
assign (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   65 and name   HA) 2.654 0.880 0.880 weight 1.000 ! spec=13CNOESY2, no=552, id=1199, vol=7.111045e+05
assign (segid "   A" and resid   45 and name  HD1) (segid "   A" and resid   48 and name  HB2) 4.002 2.002 2.002 weight 1.000 ! spec=13CNOESY2, no=554, id=1200, vol=2.845578e+05
assign (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   79 and name   HA) 3.631 1.648 1.648 weight 1.000 ! spec=13CNOESY2, no=555, id=1201, vol=3.114266e+05
assign (segid "   A" and resid   76 and name  HB1) (segid "   A" and resid   76 and name  HD2) 3.094 1.197 1.197 weight 1.000 ! spec=13CNOESY2, no=557, id=1202, vol=3.529438e+05
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   52 and name  HB2) 3.441 1.480 1.480 weight 1.000 ! spec=13CNOESY2, no=560, id=1205, vol=6.012610e+05
assign (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   83 and name HG22) 2.880 1.036 1.036 weight 1.000 ! spec=13CNOESY2, no=562, id=1207, vol=5.284429e+05
    or (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=13CNOESY2, no=565, id=1209, vol=8.361576e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   11 and name   HA) 3.761 1.768 1.768 weight 1.000 ! spec=13CNOESY2, no=566, id=1210, vol=7.832640e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   34 and name   HA) 2.447 0.748 0.748 weight 1.000 ! spec=13CNOESY2, no=568, id=1211, vol=1.423055e+06
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   33 and name  HB1) 3.548 1.573 1.573 weight 1.000 ! spec=13CNOESY2, no=569, id=1212, vol=4.270224e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name   HB) 2.402 0.721 0.721 weight 1.000 ! spec=13CNOESY2, no=570, id=1213, vol=1.818926e+06
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   33 and name  HG2) 3.592 1.613 1.613 weight 1.000 ! spec=13CNOESY2, no=571, id=1214, vol=2.984099e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG13) 2.421 0.733 0.733 weight 1.000 ! spec=13CNOESY2, no=572, id=1215, vol=2.048026e+06
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG21) 2.917 1.063 1.063 weight 1.000 ! spec=13CNOESY2, no=573, id=1216, vol=1.023425e+06
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   34 and name HG21) (segid "   A" and resid   33 and name   HN) 3.775 1.782 1.782 weight 1.000 ! spec=13CNOESY2, no=575, id=1218, vol=4.626342e+05
    or (segid "   A" and resid   34 and name HG22) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   34 and name HG23) (segid "   A" and resid   33 and name   HN)
assign (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG21) 2.387 0.712 0.712 weight 1.000 ! spec=13CNOESY2, no=580, id=1223, vol=1.478387e+06
    or (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   34 and name   HB) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   34 and name HG21) (segid "   A" and resid   34 and name HG13) 2.211 0.611 0.611 weight 1.000 ! spec=13CNOESY2, no=581, id=1224, vol=2.069054e+06
    or (segid "   A" and resid   34 and name HG21) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name HG21) (segid "   A" and resid   34 and name HG11)
    or (segid "   A" and resid   34 and name HG22) (segid "   A" and resid   34 and name HG13)
    or (segid "   A" and resid   34 and name HG22) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name HG22) (segid "   A" and resid   34 and name HG11)
    or (segid "   A" and resid   34 and name HG23) (segid "   A" and resid   34 and name HG13)
    or (segid "   A" and resid   34 and name HG23) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name HG23) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   68 and name  HB1) 3.373 1.422 1.422 weight 1.000 ! spec=13CNOESY2, no=582, id=1225, vol=5.603378e+05
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   68 and name  HB1)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   68 and name   HG) 2.494 0.778 0.778 weight 1.000 ! spec=13CNOESY2, no=583, id=1226, vol=1.199160e+06
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   68 and name   HG)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   68 and name   HG)
assign (segid "   A" and resid  100 and name HG21) (segid "   A" and resid   51 and name HG11) 2.729 0.931 0.931 weight 1.000 ! spec=13CNOESY2, no=584, id=1227, vol=8.983048e+05
    or (segid "   A" and resid  100 and name HG23) (segid "   A" and resid   51 and name HG11)
    or (segid "   A" and resid  100 and name HG22) (segid "   A" and resid   51 and name HG11)
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   77 and name  HB2) 3.279 1.344 1.344 weight 1.000 ! spec=13CNOESY2, no=585, id=1228, vol=1.005608e+06
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   77 and name  HB3)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   77 and name  HB2)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   77 and name  HB3)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   77 and name  HB2)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid  100 and name HG21) (segid "   A" and resid  100 and name   HB) 2.354 0.693 0.693 weight 1.000 ! spec=13CNOESY2, no=586, id=1229, vol=1.732041e+06
    or (segid "   A" and resid  100 and name HG23) (segid "   A" and resid  100 and name   HB)
    or (segid "   A" and resid  100 and name HG22) (segid "   A" and resid  100 and name   HB)
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   66 and name HD22) 2.670 0.891 0.891 weight 1.000 ! spec=13CNOESY2, no=587, id=1230, vol=1.864686e+06
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   33 and name   HN) 3.699 1.710 1.710 weight 1.000 ! spec=13CNOESY2, no=589, id=1232, vol=6.012626e+05
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   33 and name   HN)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   33 and name   HN)
assign (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   30 and name  HD2) 4.026 2.026 2.026 weight 1.000 ! spec=13CNOESY2, no=593, id=1236, vol=2.337971e+05
    or (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   30 and name  HD1)
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   30 and name  HD2)
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   30 and name  HD1)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   30 and name  HD2)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   11 and name  HB2) 3.402 1.447 1.447 weight 1.000 ! spec=13CNOESY2, no=598, id=1241, vol=3.065546e+05
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   11 and name  HB2)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   11 and name  HB2)
assign (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   12 and name   HB) 4.466 2.493 2.493 weight 1.000 ! spec=13CNOESY2, no=599, id=1242, vol=2.085422e+05
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   12 and name   HB)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   12 and name   HB)
assign (segid "   A" and resid   35 and name  HA2) (segid "   A" and resid   35 and name  HA1) 2.201 0.606 0.606 weight 1.000 ! spec=13CNOESY2, no=602, id=1245, vol=2.312746e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.662 0.886 0.886 weight 1.000 ! spec=13CNOESY2, no=603, id=1246, vol=9.753961e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HG1) 1.987 0.494 0.494 weight 1.000 ! spec=13CNOESY2, no=604, id=1247, vol=2.794215e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name HD22) 2.868 1.028 1.028 weight 1.000 ! spec=13CNOESY2, no=608, id=1251, vol=2.261756e+06
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name HD23)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid  107 and name HG23) 3.950 1.950 1.950 weight 1.000 ! spec=13CNOESY2, no=609, id=1252, vol=2.380530e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HN) 2.739 0.938 0.938 weight 1.000 ! spec=13CNOESY2, no=610, id=1253, vol=1.086440e+06
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.951 1.088 1.088 weight 1.000 ! spec=13CNOESY2, no=611, id=1254, vol=6.627824e+05
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   36 and name   HG) 2.361 0.697 0.697 weight 1.000 ! spec=13CNOESY2, no=613, id=1256, vol=1.613113e+06
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   37 and name  HB3) 3.493 1.525 1.525 weight 1.000 ! spec=13CNOESY2, no=614, id=1257, vol=4.517045e+05
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   34 and name HG21) 3.546 1.572 1.572 weight 1.000 ! spec=13CNOESY2, no=615, id=1258, vol=5.563780e+05
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HG23) 2.991 1.119 1.119 weight 1.000 ! spec=13CNOESY2, no=616, id=1259, vol=4.557190e+05
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HD11) 3.256 1.325 1.325 weight 1.000 ! spec=13CNOESY2, no=617, id=1260, vol=2.842691e+05
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name  HB1) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   44 and name   HA) 3.552 1.577 1.577 weight 1.000 ! spec=13CNOESY2, no=619, id=1262, vol=3.943932e+05
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   44 and name   HA)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   44 and name   HA)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   47 and name   HB) 3.338 1.393 1.393 weight 1.000 ! spec=13CNOESY2, no=620, id=1263, vol=3.612234e+05
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   47 and name   HB)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   47 and name   HB)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   44 and name HD13) 2.512 0.789 0.789 weight 1.000 ! spec=13CNOESY2, no=622, id=1265, vol=1.796276e+06
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   44 and name HD12)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   44 and name HD13)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   44 and name HD12)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   44 and name HD13)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   44 and name HD12)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HG23) 3.051 1.164 1.164 weight 1.000 ! spec=13CNOESY2, no=624, id=1267, vol=4.468726e+05
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   36 and name   HN) 3.716 1.726 1.726 weight 1.000 ! spec=13CNOESY2, no=625, id=1268, vol=5.913156e+05
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   36 and name   HN)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   36 and name   HA) 2.901 1.052 1.052 weight 1.000 ! spec=13CNOESY2, no=626, id=1269, vol=6.586546e+05
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   36 and name   HA)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   44 and name   HA) 3.323 1.380 1.380 weight 1.000 ! spec=13CNOESY2, no=627, id=1270, vol=3.210258e+05
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   44 and name   HA)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   44 and name   HA)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name HD11) 1.947 0.474 0.474 weight 1.000 ! spec=13CNOESY2, no=629, id=1271, vol=4.535910e+06
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name HD13)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name HD13)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   34 and name HG21) 3.161 1.249 1.249 weight 1.000 ! spec=13CNOESY2, no=631, id=1273, vol=9.148148e+05
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   34 and name HG23)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   34 and name HG21)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   34 and name HG23)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   34 and name HG21)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HG23) 3.882 1.884 1.884 weight 1.000 ! spec=13CNOESY2, no=632, id=1274, vol=3.298079e+05
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HD11) 3.461 1.497 1.497 weight 1.000 ! spec=13CNOESY2, no=633, id=1275, vol=3.575542e+05
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD11) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid   36 and name   HG) (segid "   A" and resid   39 and name   HA) 4.117 2.119 2.119 weight 1.000 ! spec=13CNOESY2, no=636, id=1278, vol=7.522704e+05
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   36 and name   HN) 3.749 1.757 1.757 weight 1.000 ! spec=13CNOESY2, no=637, id=1279, vol=3.675259e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 3.322 1.379 1.379 weight 1.000 ! spec=13CNOESY2, no=638, id=1280, vol=3.880102e+05
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid  108 and name  HB1) 3.446 1.484 1.484 weight 1.000 ! spec=13CNOESY2, no=640, id=1282, vol=3.115448e+05
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB3) 2.128 0.566 0.566 weight 1.000 ! spec=13CNOESY2, no=641, id=1283, vol=3.909926e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   44 and name HD13) 3.256 1.325 1.325 weight 1.000 ! spec=13CNOESY2, no=642, id=1284, vol=4.451545e+05
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   44 and name HD12)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid  107 and name HG23) 2.272 0.645 0.645 weight 1.000 ! spec=13CNOESY2, no=643, id=1285, vol=2.452477e+06
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   59 and name HG12) 2.959 1.094 1.094 weight 1.000 ! spec=13CNOESY2, no=647, id=1289, vol=6.925056e+05
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB1) 2.159 0.583 0.583 weight 1.000 ! spec=13CNOESY2, no=649, id=1291, vol=4.488943e+06
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB3)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   51 and name   HB) 3.453 1.491 1.491 weight 1.000 ! spec=13CNOESY2, no=650, id=1292, vol=3.141395e+05
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   53 and name  HB1) 4.181 2.185 2.185 weight 1.000 ! spec=13CNOESY2, no=651, id=1293, vol=4.044300e+05
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   52 and name  HB2) 2.923 1.068 1.068 weight 1.000 ! spec=13CNOESY2, no=652, id=1294, vol=7.665200e+05
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   52 and name   HA) 2.322 0.674 0.674 weight 1.000 ! spec=13CNOESY2, no=654, id=1296, vol=2.281558e+06
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   51 and name   HN) 3.517 1.547 1.547 weight 1.000 ! spec=13CNOESY2, no=655, id=1297, vol=7.475149e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA) 3.010 1.132 1.132 weight 1.000 ! spec=13CNOESY2, no=656, id=1298, vol=7.382498e+05
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   55 and name   HN) 3.380 1.428 1.428 weight 1.000 ! spec=13CNOESY2, no=657, id=1299, vol=3.374674e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB2) 2.857 1.020 1.020 weight 1.000 ! spec=13CNOESY2, no=662, id=1304, vol=1.179366e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=13CNOESY2, no=665, id=1307, vol=4.276985e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  106 and name   HA) 2.930 1.073 1.073 weight 1.000 ! spec=13CNOESY2, no=666, id=1308, vol=6.158235e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   40 and name  HB1) 3.893 1.894 1.894 weight 1.000 ! spec=13CNOESY2, no=667, id=1309, vol=3.549216e+05
assign (segid "   A" and resid   39 and name  HB2) (segid "   A" and resid   40 and name  HB1) 4.275 2.285 2.285 weight 1.000 ! spec=13CNOESY2, no=668, id=1310, vol=3.580522e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  109 and name   HN) 3.605 1.625 1.625 weight 1.000 ! spec=13CNOESY2, no=671, id=1313, vol=5.586004e+05
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   43 and name  HB2) 2.885 1.040 1.040 weight 1.000 ! spec=13CNOESY2, no=673, id=1315, vol=2.831722e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  106 and name  HG2) 3.178 1.262 1.262 weight 1.000 ! spec=13CNOESY2, no=674, id=1316, vol=3.511758e+05
assign (segid "   A" and resid  106 and name  HB2) (segid "   A" and resid  106 and name  HB1) 1.961 0.481 0.481 weight 1.000 ! spec=13CNOESY2, no=675, id=1317, vol=2.764422e+06
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name HD22) 4.037 2.037 2.037 weight 1.000 ! spec=13CNOESY2, no=678, id=1320, vol=5.107314e+05
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   36 and name HD23)
assign (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   87 and name HD21) 3.603 1.622 1.622 weight 1.000 ! spec=13CNOESY2, no=681, id=1323, vol=3.063899e+05
    or (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   28 and name  HD2) (segid "   A" and resid   28 and name  HB2) 2.741 0.939 0.939 weight 1.000 ! spec=13CNOESY2, no=682, id=1324, vol=1.392978e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name   HA) 2.904 1.054 1.054 weight 1.000 ! spec=13CNOESY2, no=686, id=1327, vol=6.787472e+05
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HG1) 2.728 0.930 0.930 weight 1.000 ! spec=13CNOESY2, no=689, id=1330, vol=8.548771e+05
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HB1) 2.447 0.748 0.748 weight 1.000 ! spec=13CNOESY2, no=690, id=1331, vol=1.679854e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.918 1.064 1.064 weight 1.000 ! spec=13CNOESY2, no=693, id=1334, vol=5.952284e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   45 and name   HA) 3.481 1.515 1.515 weight 1.000 ! spec=13CNOESY2, no=695, id=1336, vol=3.054116e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   47 and name   HB) 2.614 0.854 0.854 weight 1.000 ! spec=13CNOESY2, no=696, id=1337, vol=7.917851e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   39 and name  HB2) 4.148 2.151 2.151 weight 1.000 ! spec=13CNOESY2, no=697, id=1338, vol=2.279331e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name   HB) 3.022 1.142 1.142 weight 1.000 ! spec=13CNOESY2, no=698, id=1339, vol=5.608655e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG12) 2.681 0.898 0.898 weight 1.000 ! spec=13CNOESY2, no=699, id=1340, vol=7.078694e+05
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG21) 2.363 0.698 0.698 weight 1.000 ! spec=13CNOESY2, no=700, id=1341, vol=2.445676e+06
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HD13) 2.921 1.066 1.066 weight 1.000 ! spec=13CNOESY2, no=701, id=1342, vol=5.595192e+05
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HD12)
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   47 and name HG21) 2.637 0.869 0.869 weight 1.000 ! spec=13CNOESY2, no=702, id=1343, vol=1.257165e+06
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   45 and name   HN) 3.193 1.275 1.275 weight 1.000 ! spec=13CNOESY2, no=704, id=1345, vol=5.685356e+05
assign (segid "   A" and resid   50 and name   HB) (segid "   A" and resid   71 and name  HD1) 4.241 2.248 2.248 weight 1.000 ! spec=13CNOESY2, no=705, id=1346, vol=2.293591e+05
    or (segid "   A" and resid   50 and name   HB) (segid "   A" and resid   71 and name  HD2)
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   39 and name  HB1) 3.080 1.186 1.186 weight 1.000 ! spec=13CNOESY2, no=707, id=1348, vol=1.413999e+06
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   44 and name HG21) 2.350 0.690 0.690 weight 1.000 ! spec=13CNOESY2, no=709, id=1350, vol=1.791115e+06
    or (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  104 and name  HA1) 2.787 0.971 0.971 weight 1.000 ! spec=13CNOESY2, no=711, id=1352, vol=7.257442e+05
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  104 and name  HA1)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  104 and name  HA1)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  104 and name  HA2) 3.443 1.482 1.482 weight 1.000 ! spec=13CNOESY2, no=712, id=1353, vol=6.862576e+05
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  104 and name  HA2)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  104 and name  HA2)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   43 and name  HB2) 3.773 1.780 1.780 weight 1.000 ! spec=13CNOESY2, no=713, id=1354, vol=5.780215e+05
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   43 and name  HB2)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name   HB) 2.973 1.105 1.105 weight 1.000 ! spec=13CNOESY2, no=714, id=1355, vol=9.644418e+05
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name   HB)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name   HB)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   36 and name HD11) 2.906 1.056 1.056 weight 1.000 ! spec=13CNOESY2, no=716, id=1357, vol=9.895102e+05
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   36 and name HD13)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   36 and name HD13)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name HG21) 1.933 0.467 0.467 weight 1.000 ! spec=13CNOESY2, no=717, id=1358, vol=5.731554e+06
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name HG21)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name HG21)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HG23) 2.510 0.788 0.788 weight 1.000 ! spec=13CNOESY2, no=718, id=1359, vol=1.029645e+06
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HD11) 2.461 0.757 0.757 weight 1.000 ! spec=13CNOESY2, no=719, id=1360, vol=6.485609e+05
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name HG21) 3.994 1.994 1.994 weight 1.000 ! spec=13CNOESY2, no=721, id=1362, vol=5.100408e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   64 and name   HN) 3.680 1.693 1.693 weight 1.000 ! spec=13CNOESY2, no=723, id=1364, vol=5.825185e+05
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   64 and name   HN)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   64 and name   HN)
assign (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  103 and name  HD1) 3.090 1.194 1.194 weight 1.000 ! spec=13CNOESY2, no=724, id=1365, vol=1.305884e+06
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   67 and name  HD1) 3.312 1.371 1.371 weight 1.000 ! spec=13CNOESY2, no=725, id=1366, vol=8.884119e+05
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   59 and name   HA) 4.011 2.011 2.011 weight 1.000 ! spec=13CNOESY2, no=726, id=1367, vol=4.014848e+05
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   59 and name   HA)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   51 and name HG21) 3.884 1.885 1.885 weight 1.000 ! spec=13CNOESY2, no=727, id=1368, vol=3.752502e+05
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   64 and name   HA) 2.828 0.999 0.999 weight 1.000 ! spec=13CNOESY2, no=728, id=1369, vol=1.867773e+06
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   64 and name   HA)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   64 and name   HA)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid  103 and name  HB1) 3.684 1.697 1.697 weight 1.000 ! spec=13CNOESY2, no=730, id=1371, vol=3.759570e+05
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid  103 and name  HB1)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   51 and name   HB) 2.116 0.560 0.560 weight 1.000 ! spec=13CNOESY2, no=733, id=1374, vol=2.348167e+06
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   51 and name   HB)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   51 and name   HB)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   51 and name HG12) 2.227 0.620 0.620 weight 1.000 ! spec=13CNOESY2, no=734, id=1375, vol=3.350432e+06
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   51 and name HG12)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   51 and name HG12)
assign (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HG23) 3.407 1.451 1.451 weight 1.000 ! spec=13CNOESY2, no=738, id=1379, vol=3.923518e+05
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   64 and name HD11) 2.581 0.833 0.833 weight 1.000 ! spec=13CNOESY2, no=739, id=1380, vol=9.893069e+05
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HD11) 2.907 1.056 1.056 weight 1.000 ! spec=13CNOESY2, no=740, id=1381, vol=6.504069e+05
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   45 and name   HA) 2.825 0.998 0.998 weight 1.000 ! spec=13CNOESY2, no=741, id=1382, vol=9.304969e+05
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name   HA) 2.639 0.870 0.870 weight 1.000 ! spec=13CNOESY2, no=742, id=1383, vol=1.428930e+06
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   85 and name   HN) 3.349 1.402 1.402 weight 1.000 ! spec=13CNOESY2, no=744, id=1385, vol=5.094535e+05
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=13CNOESY2, no=745, id=1386, vol=7.947744e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HE2) 2.911 1.059 1.059 weight 1.000 ! spec=13CNOESY2, no=747, id=1388, vol=8.167409e+05
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   47 and name   HB) 3.510 1.540 1.540 weight 1.000 ! spec=13CNOESY2, no=748, id=1389, vol=3.177869e+05
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   84 and name  HB2) 2.011 0.506 0.506 weight 1.000 ! spec=13CNOESY2, no=749, id=1390, vol=5.246216e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   45 and name  HD1) 1.962 0.481 0.481 weight 1.000 ! spec=13CNOESY2, no=750, id=1391, vol=3.490136e+06
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name HG21) 3.075 1.182 1.182 weight 1.000 ! spec=13CNOESY2, no=751, id=1392, vol=4.276769e+05
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   87 and name HD21) 3.696 1.708 1.708 weight 1.000 ! spec=13CNOESY2, no=752, id=1393, vol=5.375822e+05
    or (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name   HA) 2.944 1.084 1.084 weight 1.000 ! spec=13CNOESY2, no=754, id=1395, vol=4.139382e+05
assign (segid "   A" and resid   36 and name   HG) (segid "   A" and resid   36 and name   HA) 2.714 0.920 0.920 weight 1.000 ! spec=13CNOESY2, no=759, id=1398, vol=8.034595e+05
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   47 and name HG21) 2.340 0.685 0.685 weight 1.000 ! spec=13CNOESY2, no=761, id=1400, vol=2.534442e+06
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   50 and name HD12) 2.939 1.080 1.080 weight 1.000 ! spec=13CNOESY2, no=762, id=1401, vol=5.484841e+05
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   47 and name HG21) 2.056 0.528 0.528 weight 1.000 ! spec=13CNOESY2, no=763, id=1402, vol=3.787005e+06
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   46 and name  HD2) (segid "   A" and resid   47 and name   HN) 3.222 1.298 1.298 weight 1.000 ! spec=13CNOESY2, no=765, id=1404, vol=3.131024e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   65 and name  HD2) 3.324 1.381 1.381 weight 1.000 ! spec=13CNOESY2, no=768, id=1406, vol=6.030848e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name  HB1) 1.980 0.490 0.490 weight 1.000 ! spec=13CNOESY2, no=769, id=1407, vol=1.935058e+06
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   75 and name  HB1) 3.073 1.180 1.180 weight 1.000 ! spec=13CNOESY2, no=771, id=1409, vol=1.555255e+06
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD22) 2.827 0.999 0.999 weight 1.000 ! spec=13CNOESY2, no=772, id=1410, vol=9.131326e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD23)
assign (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD11) 3.212 1.290 1.290 weight 1.000 ! spec=13CNOESY2, no=773, id=1411, vol=7.286039e+05
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name HD13)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HA) 2.656 0.882 0.882 weight 1.000 ! spec=13CNOESY2, no=776, id=1414, vol=8.144929e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name   HN) 3.433 1.473 1.473 weight 1.000 ! spec=13CNOESY2, no=777, id=1415, vol=3.881894e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   71 and name  HD1) 3.863 1.866 1.866 weight 1.000 ! spec=13CNOESY2, no=778, id=1416, vol=6.131361e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   71 and name  HD2)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name   HB) 2.813 0.989 0.989 weight 1.000 ! spec=13CNOESY2, no=779, id=1417, vol=5.567092e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name   HB) 2.825 0.998 0.998 weight 1.000 ! spec=13CNOESY2, no=780, id=1418, vol=7.538665e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name HD12) 2.862 1.024 1.024 weight 1.000 ! spec=13CNOESY2, no=783, id=1421, vol=6.732376e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   50 and name HG12) 2.700 0.911 0.911 weight 1.000 ! spec=13CNOESY2, no=784, id=1422, vol=3.488081e+05
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   48 and name   HN) 3.316 1.374 1.374 weight 1.000 ! spec=13CNOESY2, no=785, id=1423, vol=2.997541e+05
assign (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   85 and name   HA) 3.855 1.858 1.858 weight 1.000 ! spec=13CNOESY2, no=788, id=1426, vol=9.534160e+05
assign (segid "   A" and resid   85 and name   HB) (segid "   A" and resid   85 and name   HA) 2.941 1.081 1.081 weight 1.000 ! spec=13CNOESY2, no=789, id=1427, vol=5.971589e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   85 and name   HA) 3.709 1.719 1.719 weight 1.000 ! spec=13CNOESY2, no=792, id=1430, vol=2.617580e+05
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   46 and name   HN) 3.991 1.991 1.991 weight 1.000 ! spec=13CNOESY2, no=795, id=1433, vol=3.432925e+05
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   47 and name   HN) 4.040 2.040 2.040 weight 1.000 ! spec=13CNOESY2, no=799, id=1437, vol=2.762462e+05
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   47 and name   HN)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   47 and name   HN)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   67 and name  HE1) 3.380 1.428 1.428 weight 1.000 ! spec=13CNOESY2, no=800, id=1438, vol=7.037352e+05
    or (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   67 and name  HE2)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   46 and name   HN) 3.876 1.878 1.878 weight 1.000 ! spec=13CNOESY2, no=801, id=1439, vol=5.918075e+05
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   46 and name   HN)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   46 and name   HN)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   71 and name  HD1) 3.750 1.758 1.758 weight 1.000 ! spec=13CNOESY2, no=802, id=1440, vol=3.901090e+05
    or (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   71 and name  HD2)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   71 and name  HD1)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   71 and name  HD2)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   71 and name  HD1)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   71 and name  HD2)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG12) 2.666 0.888 0.888 weight 1.000 ! spec=13CNOESY2, no=803, id=1441, vol=7.372555e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG13)
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG12) 2.434 0.740 0.740 weight 1.000 ! spec=13CNOESY2, no=806, id=1443, vol=1.188789e+06
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG13)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   50 and name HG12) 3.390 1.436 1.436 weight 1.000 ! spec=13CNOESY2, no=808, id=1445, vol=6.525682e+05
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   50 and name HG12)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   50 and name HG12)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   50 and name   HB) 3.081 1.187 1.187 weight 1.000 ! spec=13CNOESY2, no=809, id=1446, vol=4.308850e+05
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   50 and name   HB)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   50 and name   HB)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   45 and name   HN) 3.793 1.798 1.798 weight 1.000 ! spec=13CNOESY2, no=810, id=1447, vol=3.348146e+05
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   45 and name   HN)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   45 and name   HN)
assign (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   50 and name HD12) 3.245 1.316 1.316 weight 1.000 ! spec=13CNOESY2, no=814, id=1451, vol=3.049238e+05
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   47 and name HG21) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   47 and name HG23) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   47 and name HG22) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG12) 3.707 1.718 1.718 weight 1.000 ! spec=13CNOESY2, no=818, id=1454, vol=2.915059e+05
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name  HB1) 2.161 0.584 0.584 weight 1.000 ! spec=13CNOESY2, no=820, id=1456, vol=1.726401e+06
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name  HG2) 3.029 1.147 1.147 weight 1.000 ! spec=13CNOESY2, no=821, id=1457, vol=7.255020e+05
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   77 and name  HB2) 3.762 1.769 1.769 weight 1.000 ! spec=13CNOESY2, no=823, id=1459, vol=4.554680e+05
    or (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   83 and name HG22) 3.763 1.770 1.770 weight 1.000 ! spec=13CNOESY2, no=824, id=1460, vol=4.488810e+05
    or (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   20 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=13CNOESY2, no=825, id=1461, vol=4.003591e+05
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name   HA) 2.941 1.081 1.081 weight 1.000 ! spec=13CNOESY2, no=826, id=1462, vol=5.808359e+05
assign (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG2) 2.497 0.780 0.780 weight 1.000 ! spec=13CNOESY2, no=830, id=1465, vol=1.539180e+06
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   52 and name   HA) 4.529 2.564 2.564 weight 1.000 ! spec=13CNOESY2, no=831, id=1466, vol=2.314814e+05
assign (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   53 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=13CNOESY2, no=833, id=1468, vol=3.535956e+05
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name  HG2) 2.994 1.120 1.120 weight 1.000 ! spec=13CNOESY2, no=835, id=1470, vol=1.105958e+06
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name  HB2) 1.946 0.473 0.473 weight 1.000 ! spec=13CNOESY2, no=836, id=1471, vol=3.495250e+06
assign (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   46 and name   HA) 3.560 1.584 1.584 weight 1.000 ! spec=13CNOESY2, no=839, id=1474, vol=3.789334e+05
assign (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   49 and name   HA) 3.043 1.158 1.158 weight 1.000 ! spec=13CNOESY2, no=840, id=1475, vol=5.642621e+05
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name   HB) 3.050 1.163 1.163 weight 1.000 ! spec=13CNOESY2, no=845, id=1480, vol=6.079238e+05
assign (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   50 and name   HA) 3.031 1.148 1.148 weight 1.000 ! spec=13CNOESY2, no=846, id=1481, vol=8.610800e+05
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name HG11) 2.582 0.833 0.833 weight 1.000 ! spec=13CNOESY2, no=847, id=1482, vol=1.218269e+06
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name HG21) 2.463 0.758 0.758 weight 1.000 ! spec=13CNOESY2, no=848, id=1483, vol=2.111368e+06
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name HG22)
    or (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name HG23)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   50 and name   HB) 3.073 1.180 1.180 weight 1.000 ! spec=13CNOESY2, no=849, id=1484, vol=6.190899e+05
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   50 and name   HB)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   50 and name   HB)
assign (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   50 and name HD12) 2.563 0.821 0.821 weight 1.000 ! spec=13CNOESY2, no=850, id=1485, vol=1.061683e+06
    or (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   50 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=13CNOESY2, no=851, id=1486, vol=4.041265e+05
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   50 and name   HA)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   50 and name   HA)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   67 and name  HD1) 4.235 2.242 2.242 weight 1.000 ! spec=13CNOESY2, no=853, id=1488, vol=2.678464e+05
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   71 and name  HD1) 3.993 1.993 1.993 weight 1.000 ! spec=13CNOESY2, no=854, id=1489, vol=2.543094e+05
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   71 and name  HD2)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   71 and name  HD1)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   71 and name  HD2)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   71 and name  HD1)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   71 and name  HD2)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   50 and name HG11) 2.549 0.812 0.812 weight 1.000 ! spec=13CNOESY2, no=856, id=1491, vol=1.216870e+06
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   50 and name HG11)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   50 and name HG11)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   51 and name HD12) 3.036 1.152 1.152 weight 1.000 ! spec=13CNOESY2, no=858, id=1493, vol=1.495815e+06
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid   51 and name HD13)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   51 and name HD12)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid   51 and name HD13)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   51 and name HD12)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid   51 and name HD13)
assign (segid "   A" and resid   50 and name HG11) (segid "   A" and resid   71 and name   HA) 2.991 1.118 1.118 weight 1.000 ! spec=13CNOESY2, no=861, id=1494, vol=5.197349e+05
assign (segid "   A" and resid   50 and name HG11) (segid "   A" and resid   50 and name   HB) 3.362 1.413 1.413 weight 1.000 ! spec=13CNOESY2, no=863, id=1496, vol=4.564520e+05
assign (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   50 and name   HB) 2.419 0.731 0.731 weight 1.000 ! spec=13CNOESY2, no=868, id=1501, vol=1.457524e+06
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   50 and name   HB)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   50 and name   HB)
assign (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   50 and name HG12) 3.590 1.611 1.611 weight 1.000 ! spec=13CNOESY2, no=869, id=1502, vol=4.209562e+05
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   50 and name HG12)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   50 and name HG12)
assign (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   50 and name HG11) 2.517 0.792 0.792 weight 1.000 ! spec=13CNOESY2, no=870, id=1503, vol=1.171172e+06
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   50 and name HG11)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   50 and name HG11)
assign (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   51 and name HG21) 3.287 1.351 1.351 weight 1.000 ! spec=13CNOESY2, no=871, id=1504, vol=3.217529e+05
    or (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name   HA) 3.202 1.282 1.282 weight 1.000 ! spec=13CNOESY2, no=874, id=1506, vol=4.306398e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name   HA) 2.671 0.892 0.892 weight 1.000 ! spec=13CNOESY2, no=875, id=1507, vol=8.916600e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   67 and name  HD1) 4.037 2.038 2.038 weight 1.000 ! spec=13CNOESY2, no=876, id=1508, vol=2.925129e+05
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   52 and name  HB2) 4.105 2.106 2.106 weight 1.000 ! spec=13CNOESY2, no=878, id=1510, vol=2.683690e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   53 and name  HB1) 3.759 1.766 1.766 weight 1.000 ! spec=13CNOESY2, no=879, id=1511, vol=3.125058e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   50 and name   HB) 3.519 1.548 1.548 weight 1.000 ! spec=13CNOESY2, no=880, id=1512, vol=3.108644e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name   HB) 2.557 0.817 0.817 weight 1.000 ! spec=13CNOESY2, no=881, id=1513, vol=9.330758e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG21) 2.465 0.759 0.759 weight 1.000 ! spec=13CNOESY2, no=884, id=1515, vol=1.488405e+06
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HD12) 3.052 1.164 1.164 weight 1.000 ! spec=13CNOESY2, no=885, id=1516, vol=1.069660e+06
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HD13)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   67 and name  HD1) 4.324 2.337 2.337 weight 1.000 ! spec=13CNOESY2, no=886, id=1517, vol=2.520782e+05
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   59 and name   HB) 2.807 0.985 0.985 weight 1.000 ! spec=13CNOESY2, no=890, id=1521, vol=4.888595e+05
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   51 and name   HN) 2.702 0.912 0.912 weight 1.000 ! spec=13CNOESY2, no=895, id=1526, vol=7.863636e+05
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   51 and name   HN)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   51 and name   HN)
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   67 and name  HD1) 3.674 1.688 1.688 weight 1.000 ! spec=13CNOESY2, no=896, id=1527, vol=6.642548e+05
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   50 and name   HB) 3.079 1.185 1.185 weight 1.000 ! spec=13CNOESY2, no=898, id=1529, vol=7.627182e+05
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   50 and name   HB)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   50 and name   HB)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD12) 3.023 1.143 1.143 weight 1.000 ! spec=13CNOESY2, no=900, id=1531, vol=1.054230e+06
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD11)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HD13)
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   47 and name HG12) 2.162 0.584 0.584 weight 1.000 ! spec=13CNOESY2, no=901, id=1532, vol=1.664815e+06
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   47 and name HG12)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   47 and name HG12)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   47 and name HG13)
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   51 and name   HN) 4.269 2.278 2.278 weight 1.000 ! spec=13CNOESY2, no=903, id=1534, vol=3.009026e+05
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG11) 3.551 1.576 1.576 weight 1.000 ! spec=13CNOESY2, no=904, id=1535, vol=2.771572e+05
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   51 and name HG12) 2.996 1.122 1.122 weight 1.000 ! spec=13CNOESY2, no=906, id=1537, vol=4.181522e+05
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   51 and name HG12)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   51 and name HG12)
assign (segid "   A" and resid   52 and name   HA) (segid "   A" and resid   59 and name   HB) 3.180 1.264 1.264 weight 1.000 ! spec=13CNOESY2, no=907, id=1538, vol=3.822505e+05
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name   HA) 3.176 1.261 1.261 weight 1.000 ! spec=13CNOESY2, no=909, id=1540, vol=3.818718e+05
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   52 and name  HB2) 2.142 0.573 0.573 weight 1.000 ! spec=13CNOESY2, no=910, id=1541, vol=1.948947e+06
assign (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   59 and name HG12) 3.222 1.297 1.297 weight 1.000 ! spec=13CNOESY2, no=911, id=1542, vol=2.692051e+05
    or (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   52 and name  HB1) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   55 and name   HA) (segid "   A" and resid   57 and name   HN) 3.217 1.293 1.293 weight 1.000 ! spec=13CNOESY2, no=919, id=1550, vol=4.355148e+05
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name   HN) 3.473 1.508 1.508 weight 1.000 ! spec=13CNOESY2, no=922, id=1553, vol=2.635549e+05
assign (segid "   A" and resid   55 and name  HB2) (segid "   A" and resid   55 and name   HA) 3.186 1.269 1.269 weight 1.000 ! spec=13CNOESY2, no=923, id=1554, vol=4.123746e+05
assign (segid "   A" and resid   56 and name   HA) (segid "   A" and resid   57 and name   HN) 3.426 1.467 1.467 weight 1.000 ! spec=13CNOESY2, no=924, id=1555, vol=3.298089e+05
assign (segid "   A" and resid   40 and name  HB1) (segid "   A" and resid   41 and name   HA) 3.709 1.720 1.720 weight 1.000 ! spec=13CNOESY2, no=926, id=1557, vol=5.636964e+05
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   56 and name   HN) 4.300 2.311 2.311 weight 1.000 ! spec=13CNOESY2, no=928, id=1559, vol=3.495064e+05
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   60 and name   HN) 4.147 2.150 2.150 weight 1.000 ! spec=13CNOESY2, no=929, id=1560, vol=3.494865e+05
assign (segid "   A" and resid   63 and name   HA) (segid "   A" and resid   59 and name   HA) 4.200 2.205 2.205 weight 1.000 ! spec=13CNOESY2, no=930, id=1561, vol=5.104646e+05
assign (segid "   A" and resid   57 and name   HA) (segid "   A" and resid   57 and name  HB2) 2.938 1.079 1.079 weight 1.000 ! spec=13CNOESY2, no=931, id=1562, vol=9.241611e+05
assign (segid "   A" and resid   71 and name  HB1) (segid "   A" and resid   70 and name   HN) 4.075 2.076 2.076 weight 1.000 ! spec=13CNOESY2, no=932, id=1563, vol=5.353834e+05
assign (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid  102 and name  HB2) 3.226 1.301 1.301 weight 1.000 ! spec=13CNOESY2, no=934, id=1565, vol=4.661238e+05
assign (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   46 and name   HA) 3.366 1.417 1.417 weight 1.000 ! spec=13CNOESY2, no=935, id=1566, vol=4.635964e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name   HA) 2.353 0.692 0.692 weight 1.000 ! spec=13CNOESY2, no=936, id=1567, vol=1.829213e+06
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   60 and name   HN) 3.883 1.884 1.884 weight 1.000 ! spec=13CNOESY2, no=938, id=1569, vol=2.688500e+05
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HD1) 2.926 1.070 1.070 weight 1.000 ! spec=13CNOESY2, no=939, id=1570, vol=1.805419e+06
    or (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HB2) 3.201 1.281 1.281 weight 1.000 ! spec=13CNOESY2, no=941, id=1572, vol=6.456081e+05
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   58 and name  HB1) 2.689 0.904 0.904 weight 1.000 ! spec=13CNOESY2, no=942, id=1573, vol=9.364414e+05
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name   HB) 3.974 1.974 1.974 weight 1.000 ! spec=13CNOESY2, no=943, id=1574, vol=4.684002e+05
assign (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name HG21) 4.330 2.344 2.344 weight 1.000 ! spec=13CNOESY2, no=945, id=1576, vol=2.700759e+05
    or (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   58 and name   HA) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   58 and name  HD1) 3.561 1.585 1.585 weight 1.000 ! spec=13CNOESY2, no=948, id=1579, vol=5.055960e+05
    or (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   58 and name  HB2) 2.247 0.631 0.631 weight 1.000 ! spec=13CNOESY2, no=950, id=1581, vol=1.648914e+06
assign (segid "   A" and resid   58 and name  HB1) (segid "   A" and resid   97 and name  HG1) 4.128 2.130 2.130 weight 1.000 ! spec=13CNOESY2, no=951, id=1582, vol=3.197629e+05
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name  HD1) 3.623 1.641 1.641 weight 1.000 ! spec=13CNOESY2, no=953, id=1584, vol=4.771964e+05
    or (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  103 and name  HD1) 4.294 2.305 2.305 weight 1.000 ! spec=13CNOESY2, no=958, id=1589, vol=2.683048e+05
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   58 and name  HD1) 4.053 2.053 2.053 weight 1.000 ! spec=13CNOESY2, no=959, id=1590, vol=4.625352e+05
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   58 and name  HD2)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   58 and name  HD1)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   58 and name  HD2)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   58 and name  HD1)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name   HA) 2.876 1.034 1.034 weight 1.000 ! spec=13CNOESY2, no=960, id=1591, vol=6.720805e+05
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name   HA)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   58 and name  HB1) 4.153 2.156 2.156 weight 1.000 ! spec=13CNOESY2, no=962, id=1593, vol=2.560750e+05
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   58 and name  HB1)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   58 and name  HB1)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   59 and name HG12) 3.105 1.205 1.205 weight 1.000 ! spec=13CNOESY2, no=963, id=1594, vol=4.635624e+05
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   51 and name HG11) 2.608 0.850 0.850 weight 1.000 ! spec=13CNOESY2, no=964, id=1595, vol=9.493132e+05
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   51 and name HG11)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   51 and name HG11)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  100 and name HG21) 2.397 0.718 0.718 weight 1.000 ! spec=13CNOESY2, no=966, id=1597, vol=9.071114e+05
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   59 and name   HA) 2.851 1.016 1.016 weight 1.000 ! spec=13CNOESY2, no=971, id=1602, vol=6.750879e+05
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   59 and name   HA)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   59 and name   HA)
assign (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   53 and name  HG1) 4.893 2.992 2.992 weight 1.000 ! spec=13CNOESY2, no=974, id=1605, vol=2.812350e+05
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   53 and name  HG1)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   53 and name  HG1)
assign (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG21) 2.423 0.734 0.734 weight 1.000 ! spec=13CNOESY2, no=975, id=1606, vol=1.391834e+06
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name   HB) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   59 and name HG21) (segid "   A" and resid  100 and name HG21) 3.045 1.159 1.159 weight 1.000 ! spec=13CNOESY2, no=976, id=1607, vol=5.786105e+05
    or (segid "   A" and resid   59 and name HG21) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG21) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name HG21) 2.173 0.590 0.590 weight 1.000 ! spec=13CNOESY2, no=977, id=1608, vol=2.474345e+06
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HB1) 2.448 0.749 0.749 weight 1.000 ! spec=13CNOESY2, no=978, id=1609, vol=2.285454e+06
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  106 and name   HA) 2.713 0.920 0.920 weight 1.000 ! spec=13CNOESY2, no=984, id=1614, vol=1.327086e+06
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  109 and name   HN) 2.877 1.035 1.035 weight 1.000 ! spec=13CNOESY2, no=985, id=1615, vol=8.917031e+05
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HE1) 3.959 1.959 1.959 weight 1.000 ! spec=13CNOESY2, no=987, id=1617, vol=5.251191e+05
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  106 and name  HE3)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name   HA) 2.831 1.002 1.002 weight 1.000 ! spec=13CNOESY2, no=988, id=1618, vol=7.662594e+05
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   61 and name   HA) 3.056 1.167 1.167 weight 1.000 ! spec=13CNOESY2, no=989, id=1619, vol=5.852339e+05
assign (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   61 and name   HA) 2.192 0.601 0.601 weight 1.000 ! spec=13CNOESY2, no=990, id=1620, vol=3.305577e+06
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   64 and name  HB1) 2.525 0.797 0.797 weight 1.000 ! spec=13CNOESY2, no=991, id=1621, vol=1.168747e+06
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   83 and name HG22) 3.245 1.316 1.316 weight 1.000 ! spec=13CNOESY2, no=992, id=1622, vol=5.536588e+05
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   87 and name HD13) 3.023 1.143 1.143 weight 1.000 ! spec=13CNOESY2, no=993, id=1623, vol=5.906985e+05
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   87 and name HD12)
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   87 and name HD11)
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   64 and name HD11) 3.315 1.374 1.374 weight 1.000 ! spec=13CNOESY2, no=994, id=1624, vol=6.708979e+05
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   64 and name   HA) 3.608 1.627 1.627 weight 1.000 ! spec=13CNOESY2, no=995, id=1625, vol=5.839854e+05
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   65 and name  HE1) 4.181 2.185 2.185 weight 1.000 ! spec=13CNOESY2, no=997, id=1627, vol=2.641019e+05
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   62 and name   HN) 3.709 1.720 1.720 weight 1.000 ! spec=13CNOESY2, no=998, id=1628, vol=2.520925e+05
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   60 and name   HA) 3.756 1.763 1.763 weight 1.000 ! spec=13CNOESY2, no=999, id=1629, vol=2.535535e+05
assign (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   61 and name   HN) 4.422 2.444 2.444 weight 1.000 ! spec=13CNOESY2, no=1003, id=1633, vol=2.319964e+05
assign (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   61 and name   HA) 3.825 1.829 1.829 weight 1.000 ! spec=13CNOESY2, no=1004, id=1634, vol=2.827879e+05
assign (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   62 and name  HB2) 3.860 1.862 1.862 weight 1.000 ! spec=13CNOESY2, no=1005, id=1635, vol=2.986489e+05
assign (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   65 and name  HD2) 4.519 2.553 2.553 weight 1.000 ! spec=13CNOESY2, no=1006, id=1636, vol=2.589365e+05
assign (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   83 and name HG22) 3.753 1.761 1.761 weight 1.000 ! spec=13CNOESY2, no=1007, id=1637, vol=5.296452e+05
    or (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   61 and name  HG2) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   61 and name   HA) 3.179 1.263 1.263 weight 1.000 ! spec=13CNOESY2, no=1008, id=1638, vol=3.588356e+05
assign (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   87 and name HD21) 3.603 1.623 1.623 weight 1.000 ! spec=13CNOESY2, no=1010, id=1640, vol=2.854099e+05
    or (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HD2) 3.052 1.165 1.165 weight 1.000 ! spec=13CNOESY2, no=1012, id=1642, vol=1.519970e+06
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HD1)
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   65 and name   HN) 3.600 1.620 1.620 weight 1.000 ! spec=13CNOESY2, no=1013, id=1643, vol=4.079289e+05
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name   HA) 2.820 0.994 0.994 weight 1.000 ! spec=13CNOESY2, no=1014, id=1644, vol=9.766730e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name   HA) 2.906 1.056 1.056 weight 1.000 ! spec=13CNOESY2, no=1015, id=1645, vol=8.338345e+05
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   61 and name  HG1) 3.841 1.844 1.844 weight 1.000 ! spec=13CNOESY2, no=1019, id=1649, vol=4.421329e+05
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   65 and name  HB2) 3.450 1.488 1.488 weight 1.000 ! spec=13CNOESY2, no=1021, id=1651, vol=9.252644e+05
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HB3) 3.057 1.168 1.168 weight 1.000 ! spec=13CNOESY2, no=1022, id=1652, vol=7.611138e+05
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HB1)
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name   HA) 2.997 1.122 1.122 weight 1.000 ! spec=13CNOESY2, no=1023, id=1653, vol=6.118419e+05
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name HG22) 2.918 1.064 1.064 weight 1.000 ! spec=13CNOESY2, no=1025, id=1655, vol=1.414364e+06
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   70 and name   HN) 2.715 0.921 0.921 weight 1.000 ! spec=13CNOESY2, no=1026, id=1656, vol=1.687750e+06
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD22) 2.499 0.781 0.781 weight 1.000 ! spec=13CNOESY2, no=1027, id=1657, vol=1.544426e+06
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD23)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name HD11) 2.930 1.073 1.073 weight 1.000 ! spec=13CNOESY2, no=1028, id=1658, vol=1.779708e+06
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name HD12)
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name HD13)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   75 and name  HB1) 2.926 1.070 1.070 weight 1.000 ! spec=13CNOESY2, no=1030, id=1660, vol=1.570887e+06
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name   HA) 2.716 0.922 0.922 weight 1.000 ! spec=13CNOESY2, no=1031, id=1661, vol=7.853559e+05
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   67 and name  HD1) 3.445 1.484 1.484 weight 1.000 ! spec=13CNOESY2, no=1033, id=1663, vol=6.262228e+05
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   64 and name   HA) 3.157 1.246 1.246 weight 1.000 ! spec=13CNOESY2, no=1035, id=1665, vol=7.369714e+05
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   64 and name   HA)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   64 and name   HA)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD11) 2.568 0.824 0.824 weight 1.000 ! spec=13CNOESY2, no=1036, id=1666, vol=1.520321e+06
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name   HA) 3.234 1.307 1.307 weight 1.000 ! spec=13CNOESY2, no=1037, id=1667, vol=3.386856e+05
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   59 and name   HB) 4.112 2.114 2.114 weight 1.000 ! spec=13CNOESY2, no=1040, id=1670, vol=2.472669e+05
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   59 and name   HB)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   59 and name   HB)
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   64 and name   HG) 2.470 0.763 0.763 weight 1.000 ! spec=13CNOESY2, no=1041, id=1671, vol=9.820385e+05
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   64 and name   HG)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   64 and name   HG)
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   59 and name HG21) 3.100 1.201 1.201 weight 1.000 ! spec=13CNOESY2, no=1043, id=1673, vol=1.092459e+06
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   68 and name HD23) 3.096 1.198 1.198 weight 1.000 ! spec=13CNOESY2, no=1044, id=1674, vol=3.351095e+05
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   68 and name HD22)
assign (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   64 and name  HB1) 2.562 0.820 0.820 weight 1.000 ! spec=13CNOESY2, no=1045, id=1675, vol=8.816876e+05
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   64 and name  HB1)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   64 and name  HB1)
assign (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   64 and name   HG) 2.385 0.711 0.711 weight 1.000 ! spec=13CNOESY2, no=1046, id=1676, vol=1.125412e+06
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   64 and name   HG)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   64 and name   HG)
assign (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   83 and name HG22) 3.687 1.700 1.700 weight 1.000 ! spec=13CNOESY2, no=1047, id=1677, vol=3.151916e+05
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   83 and name HG21)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   83 and name HG22)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   83 and name HG21)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   83 and name HG22)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   59 and name HG21) 2.367 0.700 0.700 weight 1.000 ! spec=13CNOESY2, no=1048, id=1678, vol=1.374178e+06
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD11) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD12) (segid "   A" and resid   59 and name HG23)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   59 and name HG21)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name HD13) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name HD22) 2.341 0.685 0.685 weight 1.000 ! spec=13CNOESY2, no=1053, id=1683, vol=2.202507e+06
    or (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   95 and name   HA) (segid "   A" and resid   95 and name  HB2) 2.490 0.775 0.775 weight 1.000 ! spec=13CNOESY2, no=1054, id=1684, vol=2.035424e+06
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   69 and name  HG2) 2.327 0.677 0.677 weight 1.000 ! spec=13CNOESY2, no=1055, id=1685, vol=1.951174e+06
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   69 and name  HB2) 3.233 1.307 1.307 weight 1.000 ! spec=13CNOESY2, no=1056, id=1686, vol=5.315512e+05
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   77 and name  HB2) 3.343 1.397 1.397 weight 1.000 ! spec=13CNOESY2, no=1058, id=1688, vol=3.443591e+05
    or (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   69 and name   HN) 3.293 1.355 1.355 weight 1.000 ! spec=13CNOESY2, no=1061, id=1691, vol=3.358649e+05
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   95 and name   HA) 3.483 1.516 1.516 weight 1.000 ! spec=13CNOESY2, no=1063, id=1693, vol=3.357550e+05
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   67 and name   HA) 4.204 2.210 2.210 weight 1.000 ! spec=13CNOESY2, no=1064, id=1694, vol=1.398128e+05
assign (segid "   A" and resid   66 and name HD22) (segid "   A" and resid   69 and name HE21) 3.657 1.671 1.671 weight 1.000 ! spec=13CNOESY2, no=1067, id=1697, vol=2.515451e+05
    or (segid "   A" and resid   66 and name HD21) (segid "   A" and resid   69 and name HE21)
    or (segid "   A" and resid   66 and name HD23) (segid "   A" and resid   69 and name HE21)
assign (segid "   A" and resid   66 and name HD22) (segid "   A" and resid   69 and name  HB2) 3.467 1.503 1.503 weight 1.000 ! spec=13CNOESY2, no=1068, id=1698, vol=4.898174e+05
    or (segid "   A" and resid   66 and name HD21) (segid "   A" and resid   69 and name  HB2)
    or (segid "   A" and resid   66 and name HD23) (segid "   A" and resid   69 and name  HB2)
assign (segid "   A" and resid   66 and name HD22) (segid "   A" and resid   65 and name  HB2) 2.262 0.640 0.640 weight 1.000 ! spec=13CNOESY2, no=1069, id=1699, vol=2.193838e+06
    or (segid "   A" and resid   66 and name HD21) (segid "   A" and resid   65 and name  HB2)
    or (segid "   A" and resid   66 and name HD23) (segid "   A" and resid   65 and name  HB2)
assign (segid "   A" and resid   66 and name HD22) (segid "   A" and resid   65 and name  HG1) 3.318 1.376 1.376 weight 1.000 ! spec=13CNOESY2, no=1070, id=1700, vol=5.617732e+05
    or (segid "   A" and resid   66 and name HD21) (segid "   A" and resid   65 and name  HG1)
    or (segid "   A" and resid   66 and name HD23) (segid "   A" and resid   65 and name  HG1)
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   66 and name HD22) 2.068 0.535 0.535 weight 1.000 ! spec=13CNOESY2, no=1071, id=1701, vol=2.267826e+06
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   66 and name HD11) (segid "   A" and resid   62 and name  HB1) 3.469 1.504 1.504 weight 1.000 ! spec=13CNOESY2, no=1072, id=1702, vol=2.811408e+05
    or (segid "   A" and resid   66 and name HD13) (segid "   A" and resid   62 and name  HB1)
    or (segid "   A" and resid   66 and name HD12) (segid "   A" and resid   62 and name  HB1)
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   54 and name   HN) 3.928 1.929 1.929 weight 1.000 ! spec=13CNOESY2, no=1073, id=1703, vol=7.625664e+05
assign (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   67 and name  HD1) 3.304 1.365 1.365 weight 1.000 ! spec=13CNOESY2, no=1076, id=1706, vol=1.147903e+06
    or (segid "   A" and resid   67 and name   HA) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name  HD1) 3.471 1.506 1.506 weight 1.000 ! spec=13CNOESY2, no=1079, id=1709, vol=4.761190e+05
    or (segid "   A" and resid   67 and name  HB2) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   67 and name  HB1) 2.778 0.965 0.965 weight 1.000 ! spec=13CNOESY2, no=1080, id=1710, vol=3.428158e+05
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   71 and name  HB2) 3.224 1.299 1.299 weight 1.000 ! spec=13CNOESY2, no=1081, id=1711, vol=3.031449e+05
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   67 and name  HE1) 4.046 2.046 2.046 weight 1.000 ! spec=13CNOESY2, no=1087, id=1717, vol=3.089035e+05
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   67 and name  HE2)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   67 and name  HE1) 4.157 2.160 2.160 weight 1.000 ! spec=13CNOESY2, no=1088, id=1718, vol=2.770150e+05
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   67 and name  HE2)
assign (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   67 and name  HD1) 3.308 1.368 1.368 weight 1.000 ! spec=13CNOESY2, no=1089, id=1719, vol=9.834795e+05
    or (segid "   A" and resid   68 and name HD11) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   68 and name HD12) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   68 and name HD13) (segid "   A" and resid   67 and name  HD2)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   75 and name  HB1) 3.043 1.158 1.158 weight 1.000 ! spec=13CNOESY2, no=1090, id=1720, vol=9.912321e+05
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   69 and name   HA) 3.255 1.325 1.325 weight 1.000 ! spec=13CNOESY2, no=1092, id=1722, vol=3.951852e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HG2) 2.997 1.123 1.123 weight 1.000 ! spec=13CNOESY2, no=1095, id=1725, vol=3.328228e+05
assign (segid "   A" and resid   69 and name  HG1) (segid "   A" and resid   68 and name  HB2) 3.408 1.452 1.452 weight 1.000 ! spec=13CNOESY2, no=1102, id=1732, vol=6.310556e+05
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   51 and name HG21) 2.891 1.045 1.045 weight 1.000 ! spec=13CNOESY2, no=1104, id=1734, vol=6.274739e+05
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG21) 2.478 0.768 0.768 weight 1.000 ! spec=13CNOESY2, no=1105, id=1735, vol=1.031838e+06
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   67 and name   HA) 3.750 1.758 1.758 weight 1.000 ! spec=13CNOESY2, no=1108, id=1738, vol=2.869520e+05
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   72 and name   HN) 3.648 1.664 1.664 weight 1.000 ! spec=13CNOESY2, no=1109, id=1739, vol=6.576136e+05
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   59 and name   HN) 3.698 1.710 1.710 weight 1.000 ! spec=13CNOESY2, no=1112, id=1742, vol=3.683439e+05
assign (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   73 and name  HB2) 2.239 0.627 0.627 weight 1.000 ! spec=13CNOESY2, no=1113, id=1743, vol=3.728739e+06
    or (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   73 and name  HB1)
    or (segid "   A" and resid   73 and name   HA) (segid "   A" and resid   73 and name  HB3)
assign (segid "   A" and resid   74 and name  HA2) (segid "   A" and resid   74 and name  HA1) 2.141 0.573 0.573 weight 1.000 ! spec=13CNOESY2, no=1115, id=1745, vol=2.487480e+06
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   75 and name   HA) 2.399 0.719 0.719 weight 1.000 ! spec=13CNOESY2, no=1120, id=1750, vol=1.793341e+06
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   75 and name   HA)
    or (segid "   A" and resid   75 and name  HB3) (segid "   A" and resid   75 and name   HA)
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   74 and name  HA2) 4.152 2.155 2.155 weight 1.000 ! spec=13CNOESY2, no=1121, id=1751, vol=3.663249e+05
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   74 and name  HA2)
    or (segid "   A" and resid   75 and name  HB3) (segid "   A" and resid   74 and name  HA2)
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   72 and name  HB2) 3.173 1.259 1.259 weight 1.000 ! spec=13CNOESY2, no=1122, id=1752, vol=6.647332e+05
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   72 and name  HB2)
    or (segid "   A" and resid   75 and name  HB3) (segid "   A" and resid   72 and name  HB2)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=13CNOESY2, no=1124, id=1754, vol=3.910781e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name   HA) 2.183 0.596 0.596 weight 1.000 ! spec=13CNOESY2, no=1125, id=1755, vol=3.759148e+06
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   82 and name  HG2) 3.725 1.735 1.735 weight 1.000 ! spec=13CNOESY2, no=1126, id=1756, vol=2.779345e+05
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HB1) 2.768 0.958 0.958 weight 1.000 ! spec=13CNOESY2, no=1128, id=1758, vol=1.951038e+06
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB1) 2.771 0.960 0.960 weight 1.000 ! spec=13CNOESY2, no=1129, id=1759, vol=1.384662e+06
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name  HB2) 3.673 1.687 1.687 weight 1.000 ! spec=13CNOESY2, no=1130, id=1760, vol=8.972416e+05
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   75 and name  HB1) (segid "   A" and resid   69 and name  HG1) 3.670 1.684 1.684 weight 1.000 ! spec=13CNOESY2, no=1131, id=1761, vol=4.010425e+05
    or (segid "   A" and resid   75 and name  HB2) (segid "   A" and resid   69 and name  HG1)
    or (segid "   A" and resid   75 and name  HB3) (segid "   A" and resid   69 and name  HG1)
assign (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HD2) 3.484 1.517 1.517 weight 1.000 ! spec=13CNOESY2, no=1133, id=1763, vol=2.674705e+05
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD21) 3.905 1.906 1.906 weight 1.000 ! spec=13CNOESY2, no=1134, id=1764, vol=3.980464e+05
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD23)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD22)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD12) 2.467 0.761 0.761 weight 1.000 ! spec=13CNOESY2, no=1135, id=1765, vol=1.780438e+06
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD11)
    or (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name HD13)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   13 and name HG22) 3.860 1.863 1.863 weight 1.000 ! spec=13CNOESY2, no=1138, id=1768, vol=4.578409e+05
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name  HB1) 2.989 1.117 1.117 weight 1.000 ! spec=13CNOESY2, no=1139, id=1769, vol=8.675834e+05
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   77 and name   HA) 1.936 0.469 0.469 weight 1.000 ! spec=13CNOESY2, no=1142, id=1771, vol=5.871736e+06
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   77 and name   HA)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   77 and name   HA)
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   69 and name HE21) 3.255 1.324 1.324 weight 1.000 ! spec=13CNOESY2, no=1145, id=1774, vol=3.476029e+05
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   69 and name HE21)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   69 and name HE21)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   78 and name HD21) 2.179 0.594 0.594 weight 1.000 ! spec=13CNOESY2, no=1146, id=1775, vol=2.231509e+06
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   78 and name HD23)
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   78 and name HD22)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   78 and name HD21)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   78 and name HD23)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   78 and name HD22)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   78 and name HD21)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   78 and name HD23)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   78 and name HD22)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   78 and name  HB2) 2.975 1.106 1.106 weight 1.000 ! spec=13CNOESY2, no=1148, id=1777, vol=5.830064e+05
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   78 and name  HB2)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   76 and name  HB1) 2.671 0.892 0.892 weight 1.000 ! spec=13CNOESY2, no=1149, id=1778, vol=8.738678e+05
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   76 and name  HB1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   76 and name  HB1)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   78 and name  HB1) 3.003 1.127 1.127 weight 1.000 ! spec=13CNOESY2, no=1150, id=1779, vol=8.107758e+05
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   78 and name  HB1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   78 and name  HB1)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   82 and name  HG2) 4.254 2.262 2.262 weight 1.000 ! spec=13CNOESY2, no=1154, id=1783, vol=2.901290e+05
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   82 and name  HG2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   82 and name  HG2)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   86 and name  HD2) 3.567 1.590 1.590 weight 1.000 ! spec=13CNOESY2, no=1155, id=1784, vol=4.617195e+05
    or (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   86 and name  HD1)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   65 and name   HA) 3.564 1.588 1.588 weight 1.000 ! spec=13CNOESY2, no=1157, id=1786, vol=3.808361e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   65 and name   HA)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   82 and name   HA) 4.044 2.044 2.044 weight 1.000 ! spec=13CNOESY2, no=1159, id=1788, vol=3.943936e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   82 and name   HA)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name HD21) 2.619 0.857 0.857 weight 1.000 ! spec=13CNOESY2, no=1160, id=1789, vol=9.703750e+05
    or (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name HD23)
    or (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name HD22)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   78 and name  HB1) 2.847 1.013 1.013 weight 1.000 ! spec=13CNOESY2, no=1162, id=1791, vol=6.952092e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   78 and name  HB1)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   78 and name  HB1)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   78 and name   HG) 2.806 0.984 0.984 weight 1.000 ! spec=13CNOESY2, no=1163, id=1792, vol=4.649662e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   78 and name   HG)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   78 and name   HG)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   82 and name  HG2) 3.746 1.754 1.754 weight 1.000 ! spec=13CNOESY2, no=1166, id=1795, vol=2.675464e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   82 and name  HG2)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   82 and name  HG2)
assign (segid "   A" and resid   78 and name   HG) (segid "   A" and resid   78 and name  HB2) 3.107 1.207 1.207 weight 1.000 ! spec=13CNOESY2, no=1167, id=1796, vol=3.974166e+05
assign (segid "   A" and resid   79 and name  HB1) (segid "   A" and resid   79 and name  HB2) 2.226 0.620 0.620 weight 1.000 ! spec=13CNOESY2, no=1169, id=1798, vol=1.778902e+06
assign (segid "   A" and resid   82 and name  HG2) (segid "   A" and resid   82 and name   HN) 4.670 2.726 2.726 weight 1.000 ! spec=13CNOESY2, no=1171, id=1800, vol=3.059864e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HG1) 3.013 1.134 1.134 weight 1.000 ! spec=13CNOESY2, no=1172, id=1801, vol=3.325171e+05
assign (segid "   A" and resid   82 and name  HG1) (segid "   A" and resid   82 and name   HA) 3.349 1.402 1.402 weight 1.000 ! spec=13CNOESY2, no=1173, id=1802, vol=6.248212e+05
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   82 and name  HG2) 3.788 1.794 1.794 weight 1.000 ! spec=13CNOESY2, no=1174, id=1803, vol=7.690548e+05
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   83 and name HG22) 3.014 1.136 1.136 weight 1.000 ! spec=13CNOESY2, no=1176, id=1805, vol=5.865461e+05
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   83 and name HG21)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   83 and name HG22)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   83 and name HG21)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   83 and name HG22)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD21) 2.521 0.794 0.794 weight 1.000 ! spec=13CNOESY2, no=1178, id=1807, vol=1.875078e+06
    or (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD23)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD21)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD23)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD21)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   78 and name  HB2) 2.545 0.809 0.809 weight 1.000 ! spec=13CNOESY2, no=1179, id=1808, vol=1.787122e+06
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   78 and name  HB2)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   78 and name  HB2)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name   HG) 2.276 0.648 0.648 weight 1.000 ! spec=13CNOESY2, no=1180, id=1809, vol=2.266738e+06
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name   HG)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name   HG)
assign (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   83 and name HG22) 2.319 0.672 0.672 weight 1.000 ! spec=13CNOESY2, no=1182, id=1811, vol=1.894074e+06
    or (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   61 and name  HG1) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   83 and name   HA) 2.478 0.768 0.768 weight 1.000 ! spec=13CNOESY2, no=1183, id=1812, vol=1.486490e+06
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   83 and name   HA)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   83 and name   HA)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   65 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=13CNOESY2, no=1184, id=1813, vol=9.221474e+05
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   65 and name   HA)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   65 and name   HA)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   83 and name   HB) 2.923 1.068 1.068 weight 1.000 ! spec=13CNOESY2, no=1185, id=1814, vol=5.113994e+05
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   83 and name   HB)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   83 and name   HB)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG11) 2.640 0.871 0.871 weight 1.000 ! spec=13CNOESY2, no=1186, id=1815, vol=1.325081e+06
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG12)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG13)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG22) 2.332 0.680 0.680 weight 1.000 ! spec=13CNOESY2, no=1187, id=1816, vol=2.520736e+06
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG21)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG23)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   83 and name HG22) 3.340 1.394 1.394 weight 1.000 ! spec=13CNOESY2, no=1188, id=1817, vol=5.153981e+05
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   84 and name  HB1) 3.261 1.329 1.329 weight 1.000 ! spec=13CNOESY2, no=1191, id=1819, vol=5.474114e+05
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   84 and name  HB1)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   84 and name  HB1)
assign (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   85 and name   HB) 2.385 0.711 0.711 weight 1.000 ! spec=13CNOESY2, no=1194, id=1822, vol=1.820327e+06
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   85 and name   HB)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   85 and name   HB)
assign (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   86 and name  HB1) 4.052 2.052 2.052 weight 1.000 ! spec=13CNOESY2, no=1195, id=1823, vol=2.755058e+05
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   86 and name  HB1)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   86 and name  HB1)
assign (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   86 and name   HN) 3.032 1.149 1.149 weight 1.000 ! spec=13CNOESY2, no=1196, id=1824, vol=6.363109e+05
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   86 and name   HN)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   86 and name   HN)
assign (segid "   A" and resid   85 and name HG22) (segid "   A" and resid   85 and name   HN) 3.190 1.272 1.272 weight 1.000 ! spec=13CNOESY2, no=1197, id=1825, vol=1.211921e+06
    or (segid "   A" and resid   85 and name HG21) (segid "   A" and resid   85 and name   HN)
    or (segid "   A" and resid   85 and name HG23) (segid "   A" and resid   85 and name   HN)
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   83 and name   HN) 3.586 1.607 1.607 weight 1.000 ! spec=13CNOESY2, no=1200, id=1827, vol=6.160386e+05
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   82 and name   HN) 4.159 2.162 2.162 weight 1.000 ! spec=13CNOESY2, no=1201, id=1828, vol=3.269846e+05
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB2) 3.133 1.227 1.227 weight 1.000 ! spec=13CNOESY2, no=1204, id=1830, vol=4.782491e+05
assign (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   27 and name  HB1) 3.304 1.364 1.364 weight 1.000 ! spec=13CNOESY2, no=1207, id=1832, vol=1.172065e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name   HA) 3.337 1.392 1.392 weight 1.000 ! spec=13CNOESY2, no=1210, id=1835, vol=3.858682e+05
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid  106 and name  HE1) 2.747 0.943 0.943 weight 1.000 ! spec=13CNOESY2, no=1211, id=1836, vol=9.488144e+05
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid  106 and name  HE3)
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   87 and name   HG) 2.981 1.111 1.111 weight 1.000 ! spec=13CNOESY2, no=1212, id=1837, vol=5.299685e+05
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   98 and name HG12) 2.762 0.954 0.954 weight 1.000 ! spec=13CNOESY2, no=1213, id=1838, vol=1.245986e+06
assign (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   98 and name HD11) 2.332 0.680 0.680 weight 1.000 ! spec=13CNOESY2, no=1214, id=1839, vol=2.238283e+06
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   87 and name   HA) 3.187 1.269 1.269 weight 1.000 ! spec=13CNOESY2, no=1222, id=1841, vol=1.457390e+06
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   97 and name   HA) 3.131 1.225 1.225 weight 1.000 ! spec=13CNOESY2, no=1223, id=1842, vol=4.875898e+05
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   97 and name   HA)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   97 and name   HA)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   61 and name  HG1) 2.658 0.883 0.883 weight 1.000 ! spec=13CNOESY2, no=1225, id=1844, vol=8.139164e+05
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   61 and name  HG1)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   61 and name  HG1)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   84 and name  HB2) 3.440 1.479 1.479 weight 1.000 ! spec=13CNOESY2, no=1226, id=1845, vol=6.153422e+05
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   84 and name  HB2)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   84 and name  HB2)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   87 and name   HG) 2.287 0.654 0.654 weight 1.000 ! spec=13CNOESY2, no=1227, id=1846, vol=1.931283e+06
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   87 and name   HG)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   87 and name   HG)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD13) 2.569 0.825 0.825 weight 1.000 ! spec=13CNOESY2, no=1228, id=1847, vol=1.014501e+06
    or (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD12)
    or (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   87 and name HD11)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD13)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD12)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   87 and name HD11)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD13)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD12)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   87 and name HD11)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   64 and name HD11) 3.071 1.179 1.179 weight 1.000 ! spec=13CNOESY2, no=1230, id=1849, vol=1.182843e+06
    or (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   87 and name   HN) 4.558 2.596 2.596 weight 1.000 ! spec=13CNOESY2, no=1231, id=1850, vol=2.126562e+05
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   87 and name   HN)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   87 and name   HN)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   83 and name   HB) 3.510 1.540 1.540 weight 1.000 ! spec=13CNOESY2, no=1232, id=1851, vol=4.753848e+05
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   83 and name   HB)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   83 and name   HB)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   87 and name   HA) 3.176 1.261 1.261 weight 1.000 ! spec=13CNOESY2, no=1233, id=1852, vol=4.870114e+05
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   96 and name  HA2) 3.690 1.702 1.702 weight 1.000 ! spec=13CNOESY2, no=1234, id=1853, vol=4.029761e+05
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   96 and name  HA2)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   96 and name  HA2)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   87 and name   HG) 2.222 0.617 0.617 weight 1.000 ! spec=13CNOESY2, no=1236, id=1855, vol=2.253376e+06
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   87 and name   HG)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   87 and name   HG)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   98 and name HG11) 2.197 0.603 0.603 weight 1.000 ! spec=13CNOESY2, no=1237, id=1856, vol=2.194884e+06
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   98 and name HG11)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   98 and name HG11)
assign (segid "   A" and resid   97 and name  HE1) (segid "   A" and resid   97 and name   HA) 3.629 1.646 1.646 weight 1.000 ! spec=13CNOESY2, no=1246, id=1864, vol=1.176782e+06
assign (segid "   A" and resid   90 and name  HA2) (segid "   A" and resid  102 and name  HB1) 3.244 1.315 1.315 weight 1.000 ! spec=13CNOESY2, no=1249, id=1867, vol=2.721691e+05
assign (segid "   A" and resid   90 and name  HA2) (segid "   A" and resid   98 and name HD11) 3.099 1.201 1.201 weight 1.000 ! spec=13CNOESY2, no=1251, id=1869, vol=3.451324e+05
    or (segid "   A" and resid   90 and name  HA2) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   90 and name  HA2) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   93 and name  HB1) 4.341 2.355 2.355 weight 1.000 ! spec=13CNOESY2, no=1252, id=1870, vol=2.811104e+05
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   91 and name   HA) 3.805 1.810 1.810 weight 1.000 ! spec=13CNOESY2, no=1254, id=1872, vol=4.711849e+05
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   93 and name   HA) 2.874 1.033 1.033 weight 1.000 ! spec=13CNOESY2, no=1259, id=1877, vol=1.083158e+06
assign (segid "   A" and resid   93 and name  HB1) (segid "   A" and resid   93 and name   HA) 2.999 1.125 1.125 weight 1.000 ! spec=13CNOESY2, no=1260, id=1878, vol=9.115414e+05
assign (segid "   A" and resid   94 and name  HA2) (segid "   A" and resid   94 and name  HA1) 1.923 0.462 0.462 weight 1.000 ! spec=13CNOESY2, no=1261, id=1879, vol=4.487539e+06
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB1) 2.708 0.917 0.917 weight 1.000 ! spec=13CNOESY2, no=1265, id=1883, vol=8.599786e+05
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   43 and name  HB2) 1.893 0.448 0.448 weight 1.000 ! spec=13CNOESY2, no=1266, id=1884, vol=3.040256e+06
assign (segid "   A" and resid   43 and name  HB1) (segid "   A" and resid   39 and name  HB1) 3.213 1.290 1.290 weight 1.000 ! spec=13CNOESY2, no=1267, id=1885, vol=2.948520e+05
assign (segid "   A" and resid   95 and name  HB2) (segid "   A" and resid   95 and name  HB1) 2.135 0.570 0.570 weight 1.000 ! spec=13CNOESY2, no=1269, id=1887, vol=2.055963e+06
assign (segid "   A" and resid   96 and name  HA2) (segid "   A" and resid   96 and name  HA1) 2.126 0.565 0.565 weight 1.000 ! spec=13CNOESY2, no=1271, id=1888, vol=2.740931e+06
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   97 and name   HA) 4.077 2.078 2.078 weight 1.000 ! spec=13CNOESY2, no=1276, id=1893, vol=4.174411e+05
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   98 and name   HN) 4.369 2.386 2.386 weight 1.000 ! spec=13CNOESY2, no=1279, id=1894, vol=2.418062e+05
assign (segid "   A" and resid   97 and name  HG2) (segid "   A" and resid   95 and name  HB1) 3.975 1.975 1.975 weight 1.000 ! spec=13CNOESY2, no=1283, id=1895, vol=3.002809e+05
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   87 and name HD21) 3.331 1.387 1.387 weight 1.000 ! spec=13CNOESY2, no=1291, id=1896, vol=9.332978e+05
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name HD22) 2.790 0.973 0.973 weight 1.000 ! spec=13CNOESY2, no=1294, id=1898, vol=6.245991e+05
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   64 and name HD23)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB2) 3.004 1.128 1.128 weight 1.000 ! spec=13CNOESY2, no=1296, id=1900, vol=4.739234e+05
assign (segid "   A" and resid   64 and name  HB2) (segid "   A" and resid   61 and name   HA) 3.945 1.945 1.945 weight 1.000 ! spec=13CNOESY2, no=1298, id=1902, vol=2.640658e+05
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HG23) 2.572 0.827 0.827 weight 1.000 ! spec=13CNOESY2, no=1299, id=1903, vol=1.348750e+06
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   87 and name HD21) 3.417 1.460 1.460 weight 1.000 ! spec=13CNOESY2, no=1300, id=1904, vol=6.690518e+05
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HD11) 2.816 0.991 0.991 weight 1.000 ! spec=13CNOESY2, no=1301, id=1905, vol=6.868441e+05
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   98 and name   HA) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   98 and name   HA) (segid "   A" and resid  102 and name  HB2) 3.402 1.447 1.447 weight 1.000 ! spec=13CNOESY2, no=1302, id=1906, vol=6.191341e+05
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name   HA) 2.803 0.982 0.982 weight 1.000 ! spec=13CNOESY2, no=1303, id=1907, vol=6.724904e+05
assign (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   90 and name   HN) 3.193 1.274 1.274 weight 1.000 ! spec=13CNOESY2, no=1308, id=1912, vol=3.510159e+05
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   90 and name   HN)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   90 and name   HN)
assign (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   98 and name HD11) 4.325 2.338 2.338 weight 1.000 ! spec=13CNOESY2, no=1310, id=1914, vol=3.520305e+05
    or (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   90 and name  HA1) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   98 and name HD11) (segid "   A" and resid  106 and name  HB2) 3.658 1.673 1.673 weight 1.000 ! spec=13CNOESY2, no=1312, id=1916, vol=4.513370e+05
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid  106 and name  HB2)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid  106 and name  HB2)
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   98 and name   HA) 3.900 1.901 1.901 weight 1.000 ! spec=13CNOESY2, no=1315, id=1919, vol=2.449629e+05
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   91 and name   HA) 4.532 2.567 2.567 weight 1.000 ! spec=13CNOESY2, no=1316, id=1920, vol=1.572108e+05
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   97 and name   HA) 4.759 2.831 2.831 weight 1.000 ! spec=13CNOESY2, no=1317, id=1921, vol=1.485129e+05
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG12) 2.614 0.854 0.854 weight 1.000 ! spec=13CNOESY2, no=1320, id=1924, vol=6.957088e+05
assign (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   51 and name HG21) 2.169 0.588 0.588 weight 1.000 ! spec=13CNOESY2, no=1321, id=1925, vol=2.454443e+06
    or (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   98 and name HG12) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   98 and name HG12) 2.367 0.700 0.700 weight 1.000 ! spec=13CNOESY2, no=1322, id=1926, vol=1.521045e+06
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   98 and name HG12)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   98 and name HG12)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   97 and name   HA) 4.314 2.327 2.327 weight 1.000 ! spec=13CNOESY2, no=1324, id=1928, vol=2.822564e+05
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   97 and name   HA)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   97 and name   HA)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   90 and name  HA1) 4.358 2.374 2.374 weight 1.000 ! spec=13CNOESY2, no=1325, id=1929, vol=2.827954e+05
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   90 and name  HA1)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   90 and name  HA1)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  103 and name  HD1) 3.661 1.676 1.676 weight 1.000 ! spec=13CNOESY2, no=1327, id=1931, vol=4.936194e+05
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  103 and name  HB2) 2.451 0.751 0.751 weight 1.000 ! spec=13CNOESY2, no=1332, id=1935, vol=9.029600e+05
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  106 and name  HG2) 4.300 2.311 2.311 weight 1.000 ! spec=13CNOESY2, no=1333, id=1936, vol=3.001730e+05
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  106 and name  HG2)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  106 and name  HG2)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  102 and name  HB2) 2.598 0.844 0.844 weight 1.000 ! spec=13CNOESY2, no=1334, id=1937, vol=1.345790e+06
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  102 and name  HB2)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  102 and name  HB2)
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG23) 2.313 0.669 0.669 weight 1.000 ! spec=13CNOESY2, no=1335, id=1938, vol=1.310867e+06
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   98 and name HG23) 2.176 0.592 0.592 weight 1.000 ! spec=13CNOESY2, no=1337, id=1940, vol=2.142194e+06
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid   51 and name HG12) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  100 and name HG21) 3.323 1.380 1.380 weight 1.000 ! spec=13CNOESY2, no=1339, id=1942, vol=4.524359e+05
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   98 and name HD11) 2.235 0.625 0.625 weight 1.000 ! spec=13CNOESY2, no=1340, id=1943, vol=1.952460e+06
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   98 and name HD13)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   98 and name HD11)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   98 and name HD13)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   98 and name HD11)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   59 and name HG12) 3.170 1.256 1.256 weight 1.000 ! spec=13CNOESY2, no=1341, id=1944, vol=5.605708e+05
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   64 and name HD22) 3.728 1.737 1.737 weight 1.000 ! spec=13CNOESY2, no=1342, id=1945, vol=2.631692e+05
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HG23) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid   64 and name HD23)
assign (segid "   A" and resid   99 and name  HA2) (segid "   A" and resid   98 and name   HA) 4.338 2.352 2.352 weight 1.000 ! spec=13CNOESY2, no=1343, id=1946, vol=2.400580e+05
assign (segid "   A" and resid  100 and name   HB) (segid "   A" and resid  101 and name  HB1) 3.136 1.229 1.229 weight 1.000 ! spec=13CNOESY2, no=1351, id=1954, vol=1.021459e+06
assign (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   51 and name HG12) 3.984 1.984 1.984 weight 1.000 ! spec=13CNOESY2, no=1352, id=1955, vol=2.140944e+05
assign (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   98 and name HG23) 3.988 1.988 1.988 weight 1.000 ! spec=13CNOESY2, no=1353, id=1956, vol=2.886981e+05
    or (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid  100 and name HG21) (segid "   A" and resid  101 and name   HN) 4.187 2.192 2.192 weight 1.000 ! spec=13CNOESY2, no=1358, id=1960, vol=2.670501e+05
    or (segid "   A" and resid  100 and name HG23) (segid "   A" and resid  101 and name   HN)
    or (segid "   A" and resid  100 and name HG22) (segid "   A" and resid  101 and name   HN)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG12) 2.978 1.109 1.109 weight 1.000 ! spec=13CNOESY2, no=1359, id=1961, vol=8.320794e+05
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG11)
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG13)
assign (segid "   A" and resid  100 and name HG12) (segid "   A" and resid   45 and name  HE2) 3.396 1.441 1.441 weight 1.000 ! spec=13CNOESY2, no=1362, id=1964, vol=2.857155e+05
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid   45 and name  HE2)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid   45 and name  HE2)
assign (segid "   A" and resid  100 and name HG12) (segid "   A" and resid  101 and name  HB1) 3.360 1.411 1.411 weight 1.000 ! spec=13CNOESY2, no=1363, id=1965, vol=5.214531e+05
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid  101 and name  HB1)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid  101 and name  HB1)
assign (segid "   A" and resid  100 and name HG12) (segid "   A" and resid   45 and name  HD1) 3.547 1.572 1.572 weight 1.000 ! spec=13CNOESY2, no=1364, id=1966, vol=3.044808e+05
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid   45 and name  HD1)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid   45 and name  HD1)
assign (segid "   A" and resid  100 and name   HB) (segid "   A" and resid  100 and name HG12) 2.351 0.691 0.691 weight 1.000 ! spec=13CNOESY2, no=1365, id=1967, vol=1.829604e+06
    or (segid "   A" and resid  100 and name   HB) (segid "   A" and resid  100 and name HG11)
    or (segid "   A" and resid  100 and name   HB) (segid "   A" and resid  100 and name HG13)
assign (segid "   A" and resid  100 and name HG12) (segid "   A" and resid  101 and name   HA) 3.399 1.444 1.444 weight 1.000 ! spec=13CNOESY2, no=1366, id=1968, vol=4.610675e+05
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid  101 and name   HA)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid  101 and name   HA)
assign (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  100 and name HG21) 4.039 2.039 2.039 weight 1.000 ! spec=13CNOESY2, no=1367, id=1969, vol=3.224139e+05
    or (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid  101 and name   HA) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid  101 and name  HB2) (segid "   A" and resid  101 and name   HA) 2.440 0.744 0.744 weight 1.000 ! spec=13CNOESY2, no=1368, id=1970, vol=3.721305e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  101 and name   HA) 2.791 0.974 0.974 weight 1.000 ! spec=13CNOESY2, no=1369, id=1971, vol=1.207400e+06
assign (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name  HB2) 3.156 1.245 1.245 weight 1.000 ! spec=13CNOESY2, no=1372, id=1974, vol=7.250116e+05
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid  102 and name   HN) 2.903 1.053 1.053 weight 1.000 ! spec=13CNOESY2, no=1374, id=1976, vol=5.521732e+05
assign (segid "   A" and resid   49 and name  HG2) (segid "   A" and resid   49 and name  HG1) 2.018 0.509 0.509 weight 1.000 ! spec=13CNOESY2, no=1375, id=1977, vol=2.988401e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name   HA) 2.863 1.024 1.024 weight 1.000 ! spec=13CNOESY2, no=1376, id=1978, vol=7.302502e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HG2) 3.449 1.487 1.487 weight 1.000 ! spec=13CNOESY2, no=1378, id=1980, vol=8.209109e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HG1) 2.664 0.887 0.887 weight 1.000 ! spec=13CNOESY2, no=1379, id=1981, vol=6.046451e+05
assign (segid "   A" and resid   98 and name HG23) (segid "   A" and resid  103 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=13CNOESY2, no=1380, id=1982, vol=1.576592e+06
    or (segid "   A" and resid   98 and name HG21) (segid "   A" and resid  103 and name   HA)
    or (segid "   A" and resid   98 and name HG22) (segid "   A" and resid  103 and name   HA)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid   90 and name  HA1) 3.899 1.901 1.901 weight 1.000 ! spec=13CNOESY2, no=1382, id=1984, vol=5.928571e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HB2) 3.357 1.409 1.409 weight 1.000 ! spec=13CNOESY2, no=1383, id=1985, vol=2.720554e+05
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  104 and name  HA2) 4.055 2.055 2.055 weight 1.000 ! spec=13CNOESY2, no=1384, id=1986, vol=2.894799e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB2) 3.073 1.180 1.180 weight 1.000 ! spec=13CNOESY2, no=1385, id=1987, vol=3.839369e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB1) 3.336 1.391 1.391 weight 1.000 ! spec=13CNOESY2, no=1386, id=1988, vol=4.057835e+05
assign (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid  103 and name  HD1) 3.603 1.623 1.623 weight 1.000 ! spec=13CNOESY2, no=1387, id=1989, vol=4.204472e+05
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid  103 and name  HD1) 3.390 1.436 1.436 weight 1.000 ! spec=13CNOESY2, no=1388, id=1990, vol=5.902900e+05
    or (segid "   A" and resid  103 and name  HB2) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid   98 and name HG23) 4.405 2.425 2.425 weight 1.000 ! spec=13CNOESY2, no=1389, id=1991, vol=3.962341e+05
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid  103 and name  HB1) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid  104 and name  HA2) (segid "   A" and resid  104 and name  HA1) 2.078 0.540 0.540 weight 1.000 ! spec=13CNOESY2, no=1392, id=1994, vol=2.689279e+06
assign (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  104 and name  HA2) 3.167 1.254 1.254 weight 1.000 ! spec=13CNOESY2, no=1394, id=1996, vol=4.930976e+05
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  104 and name  HA2)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  104 and name  HA2)
assign (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid  107 and name   HB) 3.438 1.477 1.477 weight 1.000 ! spec=13CNOESY2, no=1399, id=2001, vol=1.938484e+05
assign (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid   44 and name HG21) 3.569 1.592 1.592 weight 1.000 ! spec=13CNOESY2, no=1400, id=2002, vol=2.509424e+05
    or (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid  106 and name  HB1) (segid "   A" and resid  106 and name  HG2) 3.823 1.827 1.827 weight 1.000 ! spec=13CNOESY2, no=1406, id=2008, vol=2.264189e+05
assign (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name  HE1) 3.153 1.242 1.242 weight 1.000 ! spec=13CNOESY2, no=1409, id=2011, vol=3.198275e+05
    or (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name  HE3)
assign (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   53 and name   HN) 3.234 1.307 1.307 weight 1.000 ! spec=13CNOESY2, no=1413, id=2015, vol=2.421482e+05
assign (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  109 and name   HN) 4.429 2.452 2.452 weight 1.000 ! spec=13CNOESY2, no=1414, id=2016, vol=2.021228e+05
assign (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name  HG2) 2.017 0.509 0.509 weight 1.000 ! spec=13CNOESY2, no=1415, id=2017, vol=2.270567e+06
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  106 and name   HA) 3.828 1.832 1.832 weight 1.000 ! spec=13CNOESY2, no=1417, id=2019, vol=2.186638e+05
assign (segid "   A" and resid  106 and name  HG2) (segid "   A" and resid  109 and name   HN) 3.986 1.986 1.986 weight 1.000 ! spec=13CNOESY2, no=1420, id=2022, vol=2.398788e+05
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HD11) 4.302 2.313 2.313 weight 1.000 ! spec=13CNOESY2, no=1422, id=2024, vol=3.336116e+05
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG23) 2.756 0.949 0.949 weight 1.000 ! spec=13CNOESY2, no=1423, id=2025, vol=1.151683e+06
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name   HB) 2.896 1.048 1.048 weight 1.000 ! spec=13CNOESY2, no=1425, id=2027, vol=8.913362e+05
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  106 and name  HG1) 4.232 2.239 2.239 weight 1.000 ! spec=13CNOESY2, no=1426, id=2028, vol=2.307050e+05
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  109 and name   HN) 3.188 1.271 1.271 weight 1.000 ! spec=13CNOESY2, no=1427, id=2029, vol=5.981856e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name   HA) 2.897 1.049 1.049 weight 1.000 ! spec=13CNOESY2, no=1428, id=2030, vol=7.923648e+05
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid   36 and name HD22) 3.765 1.772 1.772 weight 1.000 ! spec=13CNOESY2, no=1431, id=2033, vol=2.672348e+05
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid   36 and name HD23)
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid   44 and name HG11) 3.322 1.379 1.379 weight 1.000 ! spec=13CNOESY2, no=1433, id=2035, vol=2.927442e+05
assign (segid "   A" and resid  104 and name  HA2) (segid "   A" and resid  107 and name   HB) 4.304 2.316 2.316 weight 1.000 ! spec=13CNOESY2, no=1434, id=2036, vol=3.442328e+05
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid   31 and name  HB1) 3.980 1.980 1.980 weight 1.000 ! spec=13CNOESY2, no=1436, id=2038, vol=2.237558e+05
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HD11) 2.738 0.937 0.937 weight 1.000 ! spec=13CNOESY2, no=1438, id=2040, vol=9.956576e+05
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HD11) 2.126 0.565 0.565 weight 1.000 ! spec=13CNOESY2, no=1439, id=2041, vol=1.607478e+06
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid  107 and name HD12)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HD11)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG23) 2.463 0.758 0.758 weight 1.000 ! spec=13CNOESY2, no=1441, id=2043, vol=1.240102e+06
    or (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid   44 and name HG11) 2.998 1.124 1.124 weight 1.000 ! spec=13CNOESY2, no=1443, id=2044, vol=5.013590e+05
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid   44 and name HG11)
assign (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid  107 and name HD11) 3.387 1.434 1.434 weight 1.000 ! spec=13CNOESY2, no=1444, id=2045, vol=2.589595e+05
    or (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid  104 and name  HA1) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  104 and name  HA2) 4.088 2.089 2.089 weight 1.000 ! spec=13CNOESY2, no=1445, id=2046, vol=4.431228e+05
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  104 and name  HA2)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  104 and name  HA2)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  103 and name  HD1) 3.672 1.685 1.685 weight 1.000 ! spec=13CNOESY2, no=1447, id=2048, vol=5.368449e+05
    or (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  103 and name  HD2)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  103 and name  HD1)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG12) 2.897 1.049 1.049 weight 1.000 ! spec=13CNOESY2, no=1448, id=2049, vol=5.488800e+05
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG12)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG12)
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG12) 3.495 1.527 1.527 weight 1.000 ! spec=13CNOESY2, no=1449, id=2050, vol=3.577694e+05
assign (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD22) 3.642 1.658 1.658 weight 1.000 ! spec=13CNOESY2, no=1451, id=2052, vol=1.873560e+05
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD23)
assign (segid "   A" and resid  107 and name HG12) (segid "   A" and resid  107 and name HG23) 3.325 1.382 1.382 weight 1.000 ! spec=13CNOESY2, no=1452, id=2053, vol=2.364340e+05
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG12) 3.140 1.233 1.233 weight 1.000 ! spec=13CNOESY2, no=1453, id=2054, vol=3.675068e+05
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG23) 2.359 0.696 0.696 weight 1.000 ! spec=13CNOESY2, no=1458, id=2058, vol=1.699029e+06
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  107 and name HG23) (segid "   A" and resid   31 and name  HB2) 4.236 2.243 2.243 weight 1.000 ! spec=13CNOESY2, no=1461, id=2061, vol=1.903412e+05
    or (segid "   A" and resid  107 and name HG21) (segid "   A" and resid   31 and name  HB2)
    or (segid "   A" and resid  107 and name HG22) (segid "   A" and resid   31 and name  HB2)
assign (segid "   A" and resid  107 and name HG23) (segid "   A" and resid   31 and name  HB1) 3.289 1.352 1.352 weight 1.000 ! spec=13CNOESY2, no=1463, id=2063, vol=2.258985e+05
    or (segid "   A" and resid  107 and name HG21) (segid "   A" and resid   31 and name  HB1)
    or (segid "   A" and resid  107 and name HG22) (segid "   A" and resid   31 and name  HB1)
assign (segid "   A" and resid  107 and name HG23) (segid "   A" and resid  108 and name   HA) 3.374 1.423 1.423 weight 1.000 ! spec=13CNOESY2, no=1467, id=2067, vol=3.707522e+05
    or (segid "   A" and resid  107 and name HG21) (segid "   A" and resid  108 and name   HA)
    or (segid "   A" and resid  107 and name HG22) (segid "   A" and resid  108 and name   HA)
assign (segid "   A" and resid  108 and name   HA) (segid "   A" and resid  108 and name  HB1) 2.407 0.724 0.724 weight 1.000 ! spec=13CNOESY2, no=1468, id=2068, vol=1.949178e+06
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  108 and name   HA) 2.755 0.949 0.949 weight 1.000 ! spec=13CNOESY2, no=1472, id=2072, vol=1.183187e+06
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   98 and name HG11) 3.393 1.439 1.439 weight 1.000 ! spec=13CNOESY2, no=1478, id=2076, vol=5.373642e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   98 and name HG11)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   98 and name HG11)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   64 and name HD22) 3.001 1.126 1.126 weight 1.000 ! spec=13CNOESY2, no=1479, id=2077, vol=3.977729e+05
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   64 and name HD23)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HE1) 3.530 1.557 1.557 weight 1.000 ! spec=13CNOESY2, no=1480, id=2078, vol=5.395476e+05
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HE2)
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  106 and name  HE3)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid  103 and name  HB2) 3.647 1.662 1.662 weight 1.000 ! spec=13CNOESY2, no=1482, id=2080, vol=2.932214e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid  103 and name  HB2)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid  106 and name  HG2) 3.253 1.322 1.322 weight 1.000 ! spec=13CNOESY2, no=1483, id=2081, vol=3.483630e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid  106 and name  HG2)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid  106 and name  HG2)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid  106 and name  HB1) 3.040 1.155 1.155 weight 1.000 ! spec=13CNOESY2, no=1484, id=2082, vol=1.140897e+06
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid  106 and name  HB1)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid  106 and name  HB1)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid  106 and name  HB2) 2.728 0.931 0.931 weight 1.000 ! spec=13CNOESY2, no=1485, id=2083, vol=1.248189e+06
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid  106 and name  HB2)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid  106 and name  HB2)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   90 and name  HA1) 3.763 1.770 1.770 weight 1.000 ! spec=13CNOESY2, no=1486, id=2084, vol=5.148421e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   90 and name  HA1)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   90 and name  HA1)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   90 and name   HN) 3.060 1.171 1.171 weight 1.000 ! spec=13CNOESY2, no=1487, id=2085, vol=4.568591e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   90 and name   HN)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   90 and name   HN)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   86 and name  HD2) 3.492 1.525 1.525 weight 1.000 ! spec=13CNOESY2, no=1489, id=2087, vol=5.339045e+05
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   86 and name  HD1)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   98 and name HD11) 2.479 0.768 0.768 weight 1.000 ! spec=13CNOESY2, no=1491, id=2089, vol=6.811760e+05
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   98 and name HD13)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   98 and name HD11)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   98 and name HD13)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   98 and name HD11)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   51 and name HG21) 2.891 1.044 1.044 weight 1.000 ! spec=13CNOESY2, no=1492, id=2090, vol=4.874485e+05
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   88 and name   HA) 3.677 1.690 1.690 weight 1.000 ! spec=13CNOESY2, no=1493, id=2091, vol=3.396684e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   88 and name   HA)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   88 and name   HA)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   98 and name   HA) 4.169 2.173 2.173 weight 1.000 ! spec=13CNOESY2, no=1494, id=2092, vol=1.769546e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   98 and name   HA)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   98 and name   HA)
assign (segid "   A" and resid  106 and name  HE1) (segid "   A" and resid   91 and name   HA) 4.304 2.316 2.316 weight 1.000 ! spec=13CNOESY2, no=1495, id=2093, vol=1.861045e+05
    or (segid "   A" and resid  106 and name  HE2) (segid "   A" and resid   91 and name   HA)
    or (segid "   A" and resid  106 and name  HE3) (segid "   A" and resid   91 and name   HA)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid    6 and name   HB) 2.164 0.585 0.585 weight 1.000 ! spec=13CNOESY2, no=1496, id=2094, vol=2.687421e+06
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid    6 and name   HB)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid    6 and name   HB)
assign (segid "   A" and resid   31 and name  HB1) (segid "   A" and resid   36 and name   HG) 3.451 1.489 1.489 weight 1.000 ! spec=13CNOESY2, no=1498, id=2096, vol=4.243390e+05
assign (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name   HN) 3.871 1.873 1.873 weight 1.000 ! spec=13CNOESY2, no=1501, id=2099, vol=5.072740e+05
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name   HN)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   67 and name   HN) 4.782 2.859 2.859 weight 1.000 ! spec=13CNOESY2, no=1502, id=2100, vol=2.587440e+05
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   67 and name   HN)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   67 and name   HN)
assign (segid "   A" and resid  100 and name HG12) (segid "   A" and resid   59 and name HG12) 3.356 1.408 1.408 weight 1.000 ! spec=13CNOESY2, no=1504, id=2102, vol=4.026055e+05
    or (segid "   A" and resid  100 and name HG12) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid  100 and name HG12) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid  100 and name HG11) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid  100 and name HG13) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   99 and name  HA2) (segid "   A" and resid   58 and name  HD1) 4.301 2.313 2.313 weight 1.000 ! spec=13CNOESY2, no=1505, id=2103, vol=2.877516e+05
    or (segid "   A" and resid   99 and name  HA2) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HG2) 2.383 0.710 0.710 weight 1.000 ! spec=13CNOESY2, no=1506, id=2104, vol=2.147928e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   33 and name   HA) 4.644 2.695 2.695 weight 1.000 ! spec=15NNOESY, no=4, id=2, vol=3.884736e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.297 0.660 0.660 weight 1.000 ! spec=15NNOESY, no=6, id=4, vol=1.367479e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB3) 2.474 0.765 0.765 weight 1.000 ! spec=15NNOESY, no=7, id=5, vol=1.027407e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB1)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name  HB2)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 3.328 1.384 1.384 weight 1.000 ! spec=15NNOESY, no=10, id=8, vol=2.378099e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HA2) 3.300 1.361 1.361 weight 1.000 ! spec=15NNOESY, no=11, id=9, vol=2.447369e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD13) 3.705 1.716 1.716 weight 1.000 ! spec=15NNOESY, no=14, id=11, vol=5.949299e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD11)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HB) 2.536 0.804 0.804 weight 1.000 ! spec=15NNOESY, no=16, id=13, vol=9.398198e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG11) 2.329 0.678 0.678 weight 1.000 ! spec=15NNOESY, no=17, id=14, vol=8.272700e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.981 1.111 1.111 weight 1.000 ! spec=15NNOESY, no=21, id=18, vol=4.399623e+05
assign (segid "   A" and resid    8 and name HD21) (segid "   A" and resid   12 and name HD12) 4.197 2.202 2.202 weight 1.000 ! spec=15NNOESY, no=22, id=19, vol=2.721865e+05
    or (segid "   A" and resid    8 and name HD21) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid    8 and name HD21) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HD11) 2.713 0.920 0.920 weight 1.000 ! spec=15NNOESY, no=23, id=20, vol=7.068816e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HD13)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HD12)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=15NNOESY, no=25, id=22, vol=1.152822e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HB) 2.551 0.813 0.813 weight 1.000 ! spec=15NNOESY, no=28, id=25, vol=9.809822e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=15NNOESY, no=30, id=27, vol=1.184991e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.863 1.024 1.024 weight 1.000 ! spec=15NNOESY, no=32, id=29, vol=6.981147e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.522 0.795 0.795 weight 1.000 ! spec=15NNOESY, no=33, id=30, vol=7.385404e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB2) 3.868 1.871 1.871 weight 1.000 ! spec=15NNOESY, no=34, id=31, vol=4.296664e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD22) 3.507 1.537 1.537 weight 1.000 ! spec=15NNOESY, no=35, id=32, vol=3.340931e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD21)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD23)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD11) 4.035 2.035 2.035 weight 1.000 ! spec=15NNOESY, no=36, id=33, vol=3.817274e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD13)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HD12)
assign (segid "   A" and resid    8 and name HD22) (segid "   A" and resid    8 and name   HA) 4.410 2.431 2.431 weight 1.000 ! spec=15NNOESY, no=38, id=35, vol=3.425161e+05
assign (segid "   A" and resid    8 and name HD22) (segid "   A" and resid    8 and name HD21) 1.897 0.450 0.450 weight 1.000 ! spec=15NNOESY, no=39, id=36, vol=2.801177e+06
assign (segid "   A" and resid    8 and name HD21) (segid "   A" and resid    8 and name   HA) 2.524 0.796 0.796 weight 1.000 ! spec=15NNOESY, no=40, id=37, vol=6.726349e+05
assign (segid "   A" and resid    8 and name HD21) (segid "   A" and resid    8 and name  HB1) 3.478 1.512 1.512 weight 1.000 ! spec=15NNOESY, no=41, id=38, vol=2.117694e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.782 0.968 0.968 weight 1.000 ! spec=15NNOESY, no=44, id=41, vol=5.026788e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HB1) 3.364 1.415 1.415 weight 1.000 ! spec=15NNOESY, no=45, id=42, vol=2.440578e+05
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   96 and name   HN) 2.534 0.803 0.803 weight 1.000 ! spec=15NNOESY, no=46, id=43, vol=1.075864e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   79 and name   HN) 4.516 2.549 2.549 weight 1.000 ! spec=15NNOESY, no=47, id=44, vol=1.440768e+05
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name   HN) 4.371 2.388 2.388 weight 1.000 ! spec=15NNOESY, no=48, id=45, vol=2.427026e+05
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   94 and name   HN) 2.873 1.032 1.032 weight 1.000 ! spec=15NNOESY, no=50, id=47, vol=5.632845e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name   HA) 2.658 0.883 0.883 weight 1.000 ! spec=15NNOESY, no=51, id=48, vol=1.338979e+06
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name   HA) 2.654 0.880 0.880 weight 1.000 ! spec=15NNOESY, no=52, id=49, vol=1.200065e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid   99 and name  HA2) 2.321 0.673 0.673 weight 1.000 ! spec=15NNOESY, no=53, id=50, vol=1.168419e+06
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   80 and name  HB1) 2.347 0.689 0.689 weight 1.000 ! spec=15NNOESY, no=57, id=54, vol=1.103662e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name  HB2) 2.699 0.910 0.910 weight 1.000 ! spec=15NNOESY, no=58, id=55, vol=8.757851e+05
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB1) 2.782 0.968 0.968 weight 1.000 ! spec=15NNOESY, no=59, id=56, vol=6.920106e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HB1) 2.214 0.612 0.612 weight 1.000 ! spec=15NNOESY, no=60, id=57, vol=1.647851e+06
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HB2)
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name  HB3)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name   HB) 2.410 0.726 0.726 weight 1.000 ! spec=15NNOESY, no=61, id=58, vol=1.064661e+06
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG21) 3.147 1.238 1.238 weight 1.000 ! spec=15NNOESY, no=63, id=60, vol=2.918514e+05
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   12 and name   HN) 2.447 0.748 0.748 weight 1.000 ! spec=15NNOESY, no=64, id=61, vol=1.278335e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.939 1.079 1.079 weight 1.000 ! spec=15NNOESY, no=65, id=62, vol=5.376127e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB1) 2.690 0.905 0.905 weight 1.000 ! spec=15NNOESY, no=68, id=65, vol=7.289137e+05
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB3)
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN) 2.844 1.011 1.011 weight 1.000 ! spec=15NNOESY, no=69, id=66, vol=5.550685e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name   HA) 3.123 1.219 1.219 weight 1.000 ! spec=15NNOESY, no=71, id=68, vol=4.819399e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HB) 2.439 0.744 0.744 weight 1.000 ! spec=15NNOESY, no=74, id=71, vol=9.004796e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD12) 2.786 0.970 0.970 weight 1.000 ! spec=15NNOESY, no=76, id=73, vol=3.843422e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   34 and name HG13) 3.232 1.306 1.306 weight 1.000 ! spec=15NNOESY, no=77, id=74, vol=4.539850e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.381 0.709 0.709 weight 1.000 ! spec=15NNOESY, no=79, id=76, vol=1.564135e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HB) 2.698 0.910 0.910 weight 1.000 ! spec=15NNOESY, no=80, id=77, vol=7.311132e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HB) 2.709 0.917 0.917 weight 1.000 ! spec=15NNOESY, no=81, id=78, vol=6.130678e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name  HB1) 3.935 1.936 1.936 weight 1.000 ! spec=15NNOESY, no=82, id=79, vol=2.230187e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name  HB3)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22) 3.915 1.916 1.916 weight 1.000 ! spec=15NNOESY, no=83, id=80, vol=3.345433e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HG21) 3.248 1.319 1.319 weight 1.000 ! spec=15NNOESY, no=84, id=81, vol=4.003244e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HG23)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HG22)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD22) 3.612 1.631 1.631 weight 1.000 ! spec=15NNOESY, no=85, id=82, vol=2.652151e+05
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   16 and name HD23)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   11 and name   HA) 4.768 2.841 2.841 weight 1.000 ! spec=15NNOESY, no=86, id=83, vol=4.792289e+04
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HN) 3.819 1.823 1.823 weight 1.000 ! spec=15NNOESY, no=88, id=85, vol=1.386042e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HB) 3.238 1.310 1.310 weight 1.000 ! spec=15NNOESY, no=89, id=86, vol=2.856185e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=15NNOESY, no=90, id=87, vol=1.736806e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG22) 3.170 1.256 1.256 weight 1.000 ! spec=15NNOESY, no=92, id=89, vol=6.017045e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.482 0.770 0.770 weight 1.000 ! spec=15NNOESY, no=95, id=92, vol=1.106236e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.556 0.817 0.817 weight 1.000 ! spec=15NNOESY, no=97, id=94, vol=8.646407e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB3)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD11) 4.191 2.195 2.195 weight 1.000 ! spec=15NNOESY, no=98, id=95, vol=2.236104e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HD13)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  101 and name   HN) 2.817 0.992 0.992 weight 1.000 ! spec=15NNOESY, no=99, id=96, vol=5.760823e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.540 0.807 0.807 weight 1.000 ! spec=15NNOESY, no=102, id=99, vol=1.145626e+06
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  101 and name  HB1) 2.440 0.744 0.744 weight 1.000 ! spec=15NNOESY, no=103, id=100, vol=1.493403e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB2) 2.906 1.056 1.056 weight 1.000 ! spec=15NNOESY, no=104, id=101, vol=4.571303e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB3) 2.151 0.579 0.579 weight 1.000 ! spec=15NNOESY, no=105, id=102, vol=2.477387e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name  HB2)
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name   HB) 2.971 1.103 1.103 weight 1.000 ! spec=15NNOESY, no=106, id=103, vol=3.323104e+05
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name HG12) 2.477 0.767 0.767 weight 1.000 ! spec=15NNOESY, no=107, id=104, vol=1.030215e+06
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name HG11)
    or (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  100 and name HG13)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.640 0.871 0.871 weight 1.000 ! spec=15NNOESY, no=108, id=105, vol=8.417406e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 1.936 0.468 0.468 weight 1.000 ! spec=15NNOESY, no=109, id=106, vol=5.910929e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.761 0.953 0.953 weight 1.000 ! spec=15NNOESY, no=110, id=107, vol=8.112365e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HA) 3.330 1.386 1.386 weight 1.000 ! spec=15NNOESY, no=111, id=108, vol=3.064857e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name   HB) 2.915 1.062 1.062 weight 1.000 ! spec=15NNOESY, no=113, id=110, vol=7.354960e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB1) 2.135 0.570 0.570 weight 1.000 ! spec=15NNOESY, no=114, id=111, vol=2.929528e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG11) 2.204 0.607 0.607 weight 1.000 ! spec=15NNOESY, no=115, id=112, vol=1.114181e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 2.489 0.774 0.774 weight 1.000 ! spec=15NNOESY, no=116, id=113, vol=1.247929e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 3.087 1.191 1.191 weight 1.000 ! spec=15NNOESY, no=118, id=115, vol=4.606130e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.607 1.626 1.626 weight 1.000 ! spec=15NNOESY, no=119, id=116, vol=2.070840e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB1) 3.002 1.127 1.127 weight 1.000 ! spec=15NNOESY, no=121, id=118, vol=6.415789e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB3)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB2)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.735 0.935 0.935 weight 1.000 ! spec=15NNOESY, no=122, id=119, vol=6.290710e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.911 1.059 1.059 weight 1.000 ! spec=15NNOESY, no=124, id=121, vol=4.908600e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA) 2.784 0.969 0.969 weight 1.000 ! spec=15NNOESY, no=125, id=122, vol=8.356925e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.533 0.802 0.802 weight 1.000 ! spec=15NNOESY, no=126, id=123, vol=1.215578e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.509 0.787 0.787 weight 1.000 ! spec=15NNOESY, no=127, id=124, vol=1.024514e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 5.520 3.809 3.809 weight 1.000 ! spec=15NNOESY, no=128, id=125, vol=7.890656e+04
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 3.473 1.508 1.508 weight 1.000 ! spec=15NNOESY, no=133, id=130, vol=3.130824e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB1) 3.172 1.258 1.258 weight 1.000 ! spec=15NNOESY, no=134, id=131, vol=4.521045e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB2) 2.168 0.588 0.588 weight 1.000 ! spec=15NNOESY, no=135, id=132, vol=2.234100e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB1)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB3)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB2) 3.936 1.937 1.937 weight 1.000 ! spec=15NNOESY, no=136, id=133, vol=2.665068e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HA1) 2.985 1.114 1.114 weight 1.000 ! spec=15NNOESY, no=138, id=135, vol=4.204317e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 2.294 0.658 0.658 weight 1.000 ! spec=15NNOESY, no=139, id=136, vol=1.668117e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HA2) 2.732 0.933 0.933 weight 1.000 ! spec=15NNOESY, no=140, id=137, vol=8.567947e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG2) 3.466 1.501 1.501 weight 1.000 ! spec=15NNOESY, no=141, id=138, vol=3.257657e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB2) 3.721 1.730 1.730 weight 1.000 ! spec=15NNOESY, no=142, id=139, vol=2.397973e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name   HN) 2.620 0.858 0.858 weight 1.000 ! spec=15NNOESY, no=144, id=141, vol=8.799257e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HA) 3.559 1.583 1.583 weight 1.000 ! spec=15NNOESY, no=146, id=143, vol=2.977612e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HA) 3.405 1.449 1.449 weight 1.000 ! spec=15NNOESY, no=147, id=144, vol=4.030913e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB2) 2.662 0.886 0.886 weight 1.000 ! spec=15NNOESY, no=148, id=145, vol=8.860128e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.760 0.952 0.952 weight 1.000 ! spec=15NNOESY, no=150, id=146, vol=8.106260e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 3.038 1.153 1.153 weight 1.000 ! spec=15NNOESY, no=152, id=148, vol=3.956096e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB2) 3.893 1.894 1.894 weight 1.000 ! spec=15NNOESY, no=153, id=149, vol=2.551783e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB2) 3.030 1.148 1.148 weight 1.000 ! spec=15NNOESY, no=154, id=150, vol=9.781919e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB1) 2.539 0.806 0.806 weight 1.000 ! spec=15NNOESY, no=155, id=151, vol=8.857306e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 3.372 1.421 1.421 weight 1.000 ! spec=15NNOESY, no=156, id=152, vol=2.217849e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name   HA) 2.409 0.725 0.725 weight 1.000 ! spec=15NNOESY, no=157, id=153, vol=1.135615e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   19 and name  HB1) 3.283 1.348 1.348 weight 1.000 ! spec=15NNOESY, no=158, id=154, vol=3.050673e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 2.602 0.846 0.846 weight 1.000 ! spec=15NNOESY, no=161, id=156, vol=8.794375e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB1) 3.326 1.383 1.383 weight 1.000 ! spec=15NNOESY, no=162, id=157, vol=2.151363e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HN) 3.139 1.232 1.232 weight 1.000 ! spec=15NNOESY, no=163, id=158, vol=2.608028e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.614 0.854 0.854 weight 1.000 ! spec=15NNOESY, no=164, id=159, vol=9.857136e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB2) 2.455 0.754 0.754 weight 1.000 ! spec=15NNOESY, no=166, id=161, vol=9.417724e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.665 0.888 0.888 weight 1.000 ! spec=15NNOESY, no=167, id=162, vol=1.020615e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HB2) 4.115 2.117 2.117 weight 1.000 ! spec=15NNOESY, no=168, id=163, vol=2.329646e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG2) 3.612 1.631 1.631 weight 1.000 ! spec=15NNOESY, no=169, id=164, vol=4.552147e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.546 0.810 0.810 weight 1.000 ! spec=15NNOESY, no=173, id=168, vol=7.839070e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   26 and name  HB2) 3.407 1.451 1.451 weight 1.000 ! spec=15NNOESY, no=174, id=169, vol=2.387779e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB2) 3.940 1.940 1.940 weight 1.000 ! spec=15NNOESY, no=175, id=170, vol=4.333222e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB1) 2.566 0.823 0.823 weight 1.000 ! spec=15NNOESY, no=176, id=171, vol=5.170201e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.240 0.627 0.627 weight 1.000 ! spec=15NNOESY, no=177, id=172, vol=1.718287e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HN) 2.926 1.070 1.070 weight 1.000 ! spec=15NNOESY, no=178, id=173, vol=5.523693e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HN) 2.426 0.736 0.736 weight 1.000 ! spec=15NNOESY, no=179, id=174, vol=1.269226e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HD2) 5.001 3.126 3.126 weight 1.000 ! spec=15NNOESY, no=181, id=176, vol=1.372082e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.642 0.872 0.872 weight 1.000 ! spec=15NNOESY, no=182, id=177, vol=8.290363e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB2) 2.805 0.984 0.984 weight 1.000 ! spec=15NNOESY, no=184, id=179, vol=6.352076e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name   HN) 2.839 1.008 1.008 weight 1.000 ! spec=15NNOESY, no=185, id=180, vol=5.567308e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   29 and name   HN) 3.636 1.653 1.653 weight 1.000 ! spec=15NNOESY, no=187, id=182, vol=2.677968e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD2) 4.266 2.275 2.275 weight 1.000 ! spec=15NNOESY, no=188, id=183, vol=2.065599e+05
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HD1)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.947 1.086 1.086 weight 1.000 ! spec=15NNOESY, no=189, id=184, vol=4.759438e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   28 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=15NNOESY, no=190, id=185, vol=6.173272e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.758 0.951 0.951 weight 1.000 ! spec=15NNOESY, no=191, id=186, vol=5.672382e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name  HB1) 3.874 1.876 1.876 weight 1.000 ! spec=15NNOESY, no=192, id=187, vol=2.980955e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB1) 2.598 0.843 0.843 weight 1.000 ! spec=15NNOESY, no=193, id=188, vol=6.977674e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name   HB) 2.703 0.913 0.913 weight 1.000 ! spec=15NNOESY, no=196, id=191, vol=7.324009e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB2) 2.866 1.027 1.027 weight 1.000 ! spec=15NNOESY, no=197, id=192, vol=3.735191e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   31 and name  HB1) 4.183 2.187 2.187 weight 1.000 ! spec=15NNOESY, no=198, id=193, vol=2.293397e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG22) 2.813 0.989 0.989 weight 1.000 ! spec=15NNOESY, no=199, id=194, vol=4.296759e+05
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.826 0.998 0.998 weight 1.000 ! spec=15NNOESY, no=200, id=195, vol=7.320843e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.668 0.890 0.890 weight 1.000 ! spec=15NNOESY, no=201, id=196, vol=1.048509e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.678 0.896 0.896 weight 1.000 ! spec=15NNOESY, no=202, id=197, vol=1.011618e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB2) 2.416 0.730 0.730 weight 1.000 ! spec=15NNOESY, no=203, id=198, vol=9.902390e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG22) 2.814 0.990 0.990 weight 1.000 ! spec=15NNOESY, no=204, id=199, vol=4.493588e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   35 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=15NNOESY, no=205, id=200, vol=6.376680e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name   HA) 3.469 1.504 1.504 weight 1.000 ! spec=15NNOESY, no=207, id=202, vol=2.858410e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1) 3.091 1.194 1.194 weight 1.000 ! spec=15NNOESY, no=208, id=203, vol=3.042500e+05
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name   HB) 2.478 0.768 0.768 weight 1.000 ! spec=15NNOESY, no=209, id=204, vol=1.015172e+06
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG13) 2.614 0.854 0.854 weight 1.000 ! spec=15NNOESY, no=210, id=205, vol=8.191413e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG21) 2.607 0.850 0.850 weight 1.000 ! spec=15NNOESY, no=211, id=206, vol=7.974515e+05
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HN) 2.204 0.607 0.607 weight 1.000 ! spec=15NNOESY, no=213, id=208, vol=1.998980e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HA1) 2.815 0.990 0.990 weight 1.000 ! spec=15NNOESY, no=214, id=209, vol=7.322435e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HA) 3.679 1.692 1.692 weight 1.000 ! spec=15NNOESY, no=215, id=210, vol=4.110728e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HA2) 2.450 0.750 0.750 weight 1.000 ! spec=15NNOESY, no=216, id=211, vol=1.488065e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG13) 3.969 1.969 1.969 weight 1.000 ! spec=15NNOESY, no=217, id=212, vol=2.491297e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG21) 3.274 1.340 1.340 weight 1.000 ! spec=15NNOESY, no=218, id=213, vol=3.044379e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HA2) 3.357 1.408 1.408 weight 1.000 ! spec=15NNOESY, no=222, id=217, vol=3.075912e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HG) 3.289 1.352 1.352 weight 1.000 ! spec=15NNOESY, no=223, id=218, vol=3.278776e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name  HB2) 2.302 0.662 0.662 weight 1.000 ! spec=15NNOESY, no=224, id=219, vol=1.278458e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG13) 3.225 1.300 1.300 weight 1.000 ! spec=15NNOESY, no=225, id=220, vol=7.217858e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG12)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG11)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG21) 2.607 0.850 0.850 weight 1.000 ! spec=15NNOESY, no=226, id=221, vol=6.522281e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG22)
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name HG23)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HN) 2.749 0.944 0.944 weight 1.000 ! spec=15NNOESY, no=227, id=222, vol=5.772104e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HN) 2.497 0.779 0.779 weight 1.000 ! spec=15NNOESY, no=228, id=223, vol=1.162230e+06
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   54 and name   HA) 3.207 1.285 1.285 weight 1.000 ! spec=15NNOESY, no=229, id=224, vol=4.264988e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=15NNOESY, no=230, id=225, vol=7.185035e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name  HB1) 3.216 1.292 1.292 weight 1.000 ! spec=15NNOESY, no=231, id=226, vol=3.724029e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid  107 and name HG23) 3.871 1.873 1.873 weight 1.000 ! spec=15NNOESY, no=232, id=227, vol=1.759485e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name   HN) 2.569 0.825 0.825 weight 1.000 ! spec=15NNOESY, no=233, id=228, vol=8.066246e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name   HN) 2.188 0.598 0.598 weight 1.000 ! spec=15NNOESY, no=235, id=230, vol=2.143838e+06
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   59 and name   HA) 4.493 2.524 2.524 weight 1.000 ! spec=15NNOESY, no=236, id=231, vol=2.467034e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HA) 2.770 0.959 0.959 weight 1.000 ! spec=15NNOESY, no=239, id=234, vol=6.892588e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name  HB1) 3.349 1.402 1.402 weight 1.000 ! spec=15NNOESY, no=240, id=235, vol=2.173251e+05
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name   HB) 2.286 0.653 0.653 weight 1.000 ! spec=15NNOESY, no=241, id=236, vol=1.693807e+06
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HG12) 2.428 0.737 0.737 weight 1.000 ! spec=15NNOESY, no=242, id=237, vol=6.503385e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB1) 2.243 0.629 0.629 weight 1.000 ! spec=15NNOESY, no=243, id=238, vol=2.147792e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB2)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB3)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HG11) 3.700 1.711 1.711 weight 1.000 ! spec=15NNOESY, no=244, id=239, vol=4.491792e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HA) 2.755 0.948 0.948 weight 1.000 ! spec=15NNOESY, no=247, id=242, vol=6.664846e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA) 2.760 0.952 0.952 weight 1.000 ! spec=15NNOESY, no=248, id=243, vol=6.045640e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name   HA) 3.804 1.809 1.809 weight 1.000 ! spec=15NNOESY, no=249, id=244, vol=1.745197e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB2) 2.835 1.005 1.005 weight 1.000 ! spec=15NNOESY, no=251, id=246, vol=5.743110e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 2.232 0.623 0.623 weight 1.000 ! spec=15NNOESY, no=252, id=247, vol=1.718818e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB1) 2.774 0.962 0.962 weight 1.000 ! spec=15NNOESY, no=253, id=248, vol=6.875737e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=15NNOESY, no=254, id=249, vol=3.532181e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB1) 2.503 0.783 0.783 weight 1.000 ! spec=15NNOESY, no=255, id=250, vol=7.167544e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   45 and name   HN) 3.053 1.165 1.165 weight 1.000 ! spec=15NNOESY, no=256, id=251, vol=5.649386e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name   HB) 3.174 1.259 1.259 weight 1.000 ! spec=15NNOESY, no=258, id=253, vol=1.382919e+06
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HB1) 2.643 0.873 0.873 weight 1.000 ! spec=15NNOESY, no=261, id=256, vol=8.653414e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HB2)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HB3)
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name   HA) 2.234 0.624 0.624 weight 1.000 ! spec=15NNOESY, no=265, id=260, vol=2.226182e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB2) 2.714 0.921 0.921 weight 1.000 ! spec=15NNOESY, no=269, id=264, vol=4.380405e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB1) 3.263 1.331 1.331 weight 1.000 ! spec=15NNOESY, no=270, id=265, vol=3.063264e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   39 and name  HB2) 3.892 1.893 1.893 weight 1.000 ! spec=15NNOESY, no=271, id=266, vol=2.087556e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HB) 2.227 0.620 0.620 weight 1.000 ! spec=15NNOESY, no=272, id=267, vol=1.587875e+06
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG12) 2.561 0.820 0.820 weight 1.000 ! spec=15NNOESY, no=273, id=268, vol=8.739196e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG21) 3.583 1.605 1.605 weight 1.000 ! spec=15NNOESY, no=274, id=269, vol=5.414873e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HD13) 3.729 1.738 1.738 weight 1.000 ! spec=15NNOESY, no=275, id=270, vol=4.293305e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HD11)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HD12)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HN) 2.539 0.806 0.806 weight 1.000 ! spec=15NNOESY, no=276, id=271, vol=9.368945e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name   HN) 2.528 0.799 0.799 weight 1.000 ! spec=15NNOESY, no=277, id=272, vol=1.057614e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   46 and name   HA) 3.664 1.678 1.678 weight 1.000 ! spec=15NNOESY, no=278, id=273, vol=5.044370e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=15NNOESY, no=279, id=274, vol=6.402777e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB1) 2.097 0.550 0.550 weight 1.000 ! spec=15NNOESY, no=280, id=275, vol=2.548011e+06
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG21) 3.165 1.252 1.252 weight 1.000 ! spec=15NNOESY, no=282, id=277, vol=3.687755e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name   HA) 3.462 1.498 1.498 weight 1.000 ! spec=15NNOESY, no=284, id=279, vol=3.677804e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB1) 2.520 0.794 0.794 weight 1.000 ! spec=15NNOESY, no=288, id=283, vol=9.767859e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HD1) 3.406 1.450 1.450 weight 1.000 ! spec=15NNOESY, no=289, id=284, vol=8.246572e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name HG21) 3.701 1.712 1.712 weight 1.000 ! spec=15NNOESY, no=290, id=285, vol=4.742652e+05
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HG1) 2.202 0.606 0.606 weight 1.000 ! spec=15NNOESY, no=291, id=286, vol=9.635784e+05
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name   HN) 2.623 0.860 0.860 weight 1.000 ! spec=15NNOESY, no=293, id=288, vol=7.527690e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name   HA) 2.862 1.024 1.024 weight 1.000 ! spec=15NNOESY, no=296, id=291, vol=6.413076e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HA) 3.276 1.342 1.342 weight 1.000 ! spec=15NNOESY, no=297, id=292, vol=3.126763e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   44 and name   HA) 3.276 1.342 1.342 weight 1.000 ! spec=15NNOESY, no=300, id=295, vol=3.107568e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HB) 2.357 0.695 0.695 weight 1.000 ! spec=15NNOESY, no=301, id=296, vol=1.015253e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG21) 2.341 0.685 0.685 weight 1.000 ! spec=15NNOESY, no=304, id=299, vol=1.444177e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   48 and name   HN) 2.856 1.020 1.020 weight 1.000 ! spec=15NNOESY, no=306, id=301, vol=4.146863e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   51 and name   HN) 3.613 1.632 1.632 weight 1.000 ! spec=15NNOESY, no=307, id=302, vol=2.626819e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB2) 3.497 1.529 1.529 weight 1.000 ! spec=15NNOESY, no=309, id=304, vol=6.996260e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB1) 2.805 0.983 0.983 weight 1.000 ! spec=15NNOESY, no=310, id=305, vol=3.570372e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name   HB) 2.614 0.854 0.854 weight 1.000 ! spec=15NNOESY, no=312, id=307, vol=6.422998e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   49 and name   HN) 2.971 1.104 1.104 weight 1.000 ! spec=15NNOESY, no=314, id=309, vol=3.766741e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   46 and name   HA) 3.528 1.556 1.556 weight 1.000 ! spec=15NNOESY, no=316, id=311, vol=1.839579e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HB2) 3.417 1.459 1.459 weight 1.000 ! spec=15NNOESY, no=318, id=313, vol=4.257247e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name  HB1) 3.274 1.340 1.340 weight 1.000 ! spec=15NNOESY, no=319, id=314, vol=2.069215e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HG1) 2.767 0.957 0.957 weight 1.000 ! spec=15NNOESY, no=320, id=315, vol=7.055208e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HG2) 3.595 1.616 1.616 weight 1.000 ! spec=15NNOESY, no=321, id=316, vol=2.177935e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB1) 2.497 0.779 0.779 weight 1.000 ! spec=15NNOESY, no=322, id=317, vol=8.453703e+05
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name  HB2) 3.663 1.677 1.677 weight 1.000 ! spec=15NNOESY, no=323, id=318, vol=3.772344e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name   HN) 2.467 0.761 0.761 weight 1.000 ! spec=15NNOESY, no=326, id=321, vol=9.947777e+05
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG21) 2.990 1.117 1.117 weight 1.000 ! spec=15NNOESY, no=328, id=323, vol=3.994341e+05
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG21) 3.252 1.322 1.322 weight 1.000 ! spec=15NNOESY, no=329, id=324, vol=3.481438e+05
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG22)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG23)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   52 and name   HN) 2.553 0.815 0.815 weight 1.000 ! spec=15NNOESY, no=330, id=325, vol=9.289732e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=15NNOESY, no=331, id=326, vol=4.952270e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HB2) 2.502 0.782 0.782 weight 1.000 ! spec=15NNOESY, no=334, id=329, vol=1.276534e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name   HB) 3.092 1.195 1.195 weight 1.000 ! spec=15NNOESY, no=335, id=330, vol=5.126523e+05
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   52 and name  HB1) 2.387 0.712 0.712 weight 1.000 ! spec=15NNOESY, no=336, id=331, vol=1.249194e+06
assign (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG21) 3.960 1.960 1.960 weight 1.000 ! spec=15NNOESY, no=337, id=332, vol=2.742476e+05
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   52 and name   HN) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   54 and name   HN) 3.111 1.210 1.210 weight 1.000 ! spec=15NNOESY, no=338, id=333, vol=2.721722e+05
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   63 and name  HG2) 2.684 0.900 0.900 weight 1.000 ! spec=15NNOESY, no=341, id=336, vol=7.808967e+05
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HG2) 4.163 2.167 2.167 weight 1.000 ! spec=15NNOESY, no=342, id=337, vol=2.207045e+05
assign (segid "   A" and resid   53 and name   HN) (segid "   A" and resid   53 and name  HB1) 2.951 1.089 1.089 weight 1.000 ! spec=15NNOESY, no=344, id=339, vol=3.167097e+05
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   54 and name   HA) 3.086 1.191 1.191 weight 1.000 ! spec=15NNOESY, no=347, id=342, vol=3.259838e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   57 and name   HN) 4.049 2.049 2.049 weight 1.000 ! spec=15NNOESY, no=348, id=343, vol=2.818607e+05
assign (segid "   A" and resid   54 and name   HN) (segid "   A" and resid   55 and name   HN) 2.586 0.836 0.836 weight 1.000 ! spec=15NNOESY, no=350, id=345, vol=5.591278e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name   HA) 2.273 0.646 0.646 weight 1.000 ! spec=15NNOESY, no=352, id=347, vol=1.567135e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 2.608 0.850 0.850 weight 1.000 ! spec=15NNOESY, no=354, id=349, vol=8.577624e+05
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  106 and name  HB1) 2.592 0.840 0.840 weight 1.000 ! spec=15NNOESY, no=355, id=350, vol=6.606548e+05
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  106 and name  HB2) 3.104 1.204 1.204 weight 1.000 ! spec=15NNOESY, no=356, id=351, vol=6.815258e+05
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  106 and name  HG2) 3.454 1.491 1.491 weight 1.000 ! spec=15NNOESY, no=357, id=352, vol=3.202881e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   55 and name  HD2) 3.928 1.928 1.928 weight 1.000 ! spec=15NNOESY, no=358, id=353, vol=3.625615e+05
assign (segid "   A" and resid   55 and name   HN) (segid "   A" and resid   56 and name   HN) 2.938 1.079 1.079 weight 1.000 ! spec=15NNOESY, no=360, id=355, vol=6.201653e+05
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   55 and name   HA) 2.555 0.816 0.816 weight 1.000 ! spec=15NNOESY, no=363, id=358, vol=8.994974e+05
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   57 and name   HN) 2.727 0.930 0.930 weight 1.000 ! spec=15NNOESY, no=364, id=359, vol=8.544753e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=15NNOESY, no=366, id=361, vol=1.722166e+06
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   57 and name  HB2) 3.912 1.913 1.913 weight 1.000 ! spec=15NNOESY, no=367, id=362, vol=1.581192e+05
assign (segid "   A" and resid   57 and name   HN) (segid "   A" and resid   58 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=15NNOESY, no=368, id=363, vol=7.822586e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   56 and name   HN) 2.802 0.981 0.981 weight 1.000 ! spec=15NNOESY, no=369, id=364, vol=7.749383e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HD1) 3.676 1.689 1.689 weight 1.000 ! spec=15NNOESY, no=370, id=365, vol=4.232899e+05
    or (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name   HA) 3.200 1.280 1.280 weight 1.000 ! spec=15NNOESY, no=371, id=366, vol=3.026088e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   56 and name   HA) 4.191 2.195 2.195 weight 1.000 ! spec=15NNOESY, no=372, id=367, vol=1.438478e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   57 and name   HA) 3.127 1.222 1.222 weight 1.000 ! spec=15NNOESY, no=373, id=368, vol=5.687031e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB2) 3.059 1.170 1.170 weight 1.000 ! spec=15NNOESY, no=374, id=369, vol=3.675074e+05
assign (segid "   A" and resid   58 and name   HN) (segid "   A" and resid   58 and name  HB1) 4.110 2.112 2.112 weight 1.000 ! spec=15NNOESY, no=375, id=370, vol=2.284576e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HD1) 4.044 2.044 2.044 weight 1.000 ! spec=15NNOESY, no=377, id=372, vol=3.703819e+05
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HD2)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name   HA) 2.867 1.028 1.028 weight 1.000 ! spec=15NNOESY, no=380, id=375, vol=3.352783e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HB2) 4.125 2.127 2.127 weight 1.000 ! spec=15NNOESY, no=381, id=376, vol=2.599040e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   58 and name  HB1) 3.116 1.214 1.214 weight 1.000 ! spec=15NNOESY, no=382, id=377, vol=3.414548e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name   HB) 2.737 0.936 0.936 weight 1.000 ! spec=15NNOESY, no=383, id=378, vol=4.252021e+05
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG21) 3.098 1.200 1.200 weight 1.000 ! spec=15NNOESY, no=384, id=379, vol=2.796083e+05
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG12) 2.690 0.904 0.904 weight 1.000 ! spec=15NNOESY, no=385, id=380, vol=4.119864e+05
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name   HA) 2.254 0.635 0.635 weight 1.000 ! spec=15NNOESY, no=386, id=381, vol=1.547701e+06
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name   HA) 3.082 1.187 1.187 weight 1.000 ! spec=15NNOESY, no=387, id=382, vol=3.213341e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   63 and name  HB2) 2.727 0.930 0.930 weight 1.000 ! spec=15NNOESY, no=388, id=383, vol=4.609808e+05
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG21) 3.431 1.471 1.471 weight 1.000 ! spec=15NNOESY, no=390, id=385, vol=4.079121e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG12) 4.094 2.095 2.095 weight 1.000 ! spec=15NNOESY, no=391, id=386, vol=1.959792e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   59 and name HG13)
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   60 and name   HA) 2.651 0.879 0.879 weight 1.000 ! spec=15NNOESY, no=393, id=388, vol=6.488102e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name  HG1) 3.437 1.476 1.476 weight 1.000 ! spec=15NNOESY, no=395, id=390, vol=8.017593e+05
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   61 and name  HB2) 2.321 0.673 0.673 weight 1.000 ! spec=15NNOESY, no=396, id=391, vol=1.491884e+06
assign (segid "   A" and resid   61 and name   HN) (segid "   A" and resid   62 and name   HN) 3.246 1.317 1.317 weight 1.000 ! spec=15NNOESY, no=397, id=392, vol=2.352464e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   63 and name   HN) 2.951 1.088 1.088 weight 1.000 ! spec=15NNOESY, no=398, id=393, vol=4.205356e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB2) 2.706 0.915 0.915 weight 1.000 ! spec=15NNOESY, no=400, id=395, vol=6.992489e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   62 and name  HB1) 3.357 1.409 1.409 weight 1.000 ! spec=15NNOESY, no=401, id=396, vol=9.091796e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name  HG1) 3.827 1.831 1.831 weight 1.000 ! spec=15NNOESY, no=402, id=397, vol=4.005293e+05
assign (segid "   A" and resid   62 and name   HN) (segid "   A" and resid   61 and name  HB2) 2.520 0.794 0.794 weight 1.000 ! spec=15NNOESY, no=403, id=398, vol=9.117697e+05
assign (segid "   A" and resid   63 and name   HN) (segid "   A" and resid   63 and name  HB2) 2.390 0.714 0.714 weight 1.000 ! spec=15NNOESY, no=406, id=401, vol=8.892518e+05
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name   HN) 2.500 0.781 0.781 weight 1.000 ! spec=15NNOESY, no=407, id=402, vol=9.516381e+05
assign (segid "   A" and resid  101 and name   HN) (segid "   A" and resid  102 and name   HN) 2.441 0.745 0.745 weight 1.000 ! spec=15NNOESY, no=408, id=403, vol=1.107900e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name   HG) 3.607 1.627 1.627 weight 1.000 ! spec=15NNOESY, no=412, id=407, vol=4.139363e+05
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   64 and name  HB1) 2.039 0.520 0.520 weight 1.000 ! spec=15NNOESY, no=413, id=408, vol=1.858537e+06
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   59 and name HG21) 3.109 1.208 1.208 weight 1.000 ! spec=15NNOESY, no=414, id=409, vol=4.704757e+05
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   59 and name HG22)
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   59 and name HG23)
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   62 and name   HN) 3.991 1.991 1.991 weight 1.000 ! spec=15NNOESY, no=415, id=410, vol=1.667195e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name   HN) 2.762 0.954 0.954 weight 1.000 ! spec=15NNOESY, no=416, id=411, vol=4.914963e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HB1) 2.083 0.542 0.542 weight 1.000 ! spec=15NNOESY, no=419, id=414, vol=1.819648e+06
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   65 and name  HD2) 3.612 1.631 1.631 weight 1.000 ! spec=15NNOESY, no=420, id=415, vol=4.865290e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   64 and name  HB1) 3.167 1.253 1.253 weight 1.000 ! spec=15NNOESY, no=421, id=416, vol=4.871072e+05
assign (segid "   A" and resid   65 and name   HN) (segid "   A" and resid   66 and name   HN) 2.852 1.017 1.017 weight 1.000 ! spec=15NNOESY, no=423, id=418, vol=4.939163e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name   HA) 2.892 1.045 1.045 weight 1.000 ! spec=15NNOESY, no=425, id=420, vol=4.906810e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=15NNOESY, no=426, id=421, vol=2.306491e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   64 and name   HA) 4.074 2.075 2.075 weight 1.000 ! spec=15NNOESY, no=427, id=422, vol=1.722979e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   65 and name  HB2) 2.624 0.860 0.860 weight 1.000 ! spec=15NNOESY, no=428, id=423, vol=6.648394e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HB1) 2.171 0.589 0.589 weight 1.000 ! spec=15NNOESY, no=429, id=424, vol=1.533926e+06
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name  HB2) 3.444 1.483 1.483 weight 1.000 ! spec=15NNOESY, no=430, id=425, vol=6.303366e+05
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD11) 3.381 1.429 1.429 weight 1.000 ! spec=15NNOESY, no=431, id=426, vol=1.733546e+05
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD13)
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD12)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD22) 3.344 1.398 1.398 weight 1.000 ! spec=15NNOESY, no=432, id=427, vol=3.412968e+05
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   66 and name   HN) (segid "   A" and resid   67 and name   HN) 2.502 0.782 0.782 weight 1.000 ! spec=15NNOESY, no=433, id=428, vol=8.745139e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name   HA) 3.283 1.347 1.347 weight 1.000 ! spec=15NNOESY, no=434, id=429, vol=2.380279e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   86 and name   HA) 3.419 1.461 1.461 weight 1.000 ! spec=15NNOESY, no=435, id=430, vol=2.088236e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name   HA) 2.582 0.833 0.833 weight 1.000 ! spec=15NNOESY, no=436, id=431, vol=1.041925e+06
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   65 and name   HA) 3.017 1.138 1.138 weight 1.000 ! spec=15NNOESY, no=437, id=432, vol=4.464729e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   67 and name  HB1) 2.352 0.691 0.691 weight 1.000 ! spec=15NNOESY, no=439, id=434, vol=8.211670e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB1) 3.131 1.225 1.225 weight 1.000 ! spec=15NNOESY, no=440, id=435, vol=4.178641e+05
assign (segid "   A" and resid   67 and name   HN) (segid "   A" and resid   66 and name  HB2) 3.519 1.548 1.548 weight 1.000 ! spec=15NNOESY, no=441, id=436, vol=3.902596e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HB3) 2.203 0.606 0.606 weight 1.000 ! spec=15NNOESY, no=442, id=437, vol=2.198691e+06
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HB1)
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name  HB2) 2.834 1.004 1.004 weight 1.000 ! spec=15NNOESY, no=445, id=440, vol=4.381965e+05
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   66 and name HD22) 3.931 1.932 1.932 weight 1.000 ! spec=15NNOESY, no=448, id=443, vol=2.288802e+05
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD23) 3.863 1.865 1.865 weight 1.000 ! spec=15NNOESY, no=449, id=444, vol=1.746361e+05
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name HD22)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   69 and name   HN) 2.820 0.994 0.994 weight 1.000 ! spec=15NNOESY, no=450, id=445, vol=3.876887e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   70 and name   HN) 2.584 0.834 0.834 weight 1.000 ! spec=15NNOESY, no=451, id=446, vol=7.188520e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name   HA) 3.813 1.818 1.818 weight 1.000 ! spec=15NNOESY, no=453, id=448, vol=1.462877e+05
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name  HB2) 2.338 0.683 0.683 weight 1.000 ! spec=15NNOESY, no=455, id=450, vol=1.436891e+06
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   75 and name  HB1) 3.994 1.994 1.994 weight 1.000 ! spec=15NNOESY, no=456, id=451, vol=2.384110e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   72 and name   HN) 3.267 1.334 1.334 weight 1.000 ! spec=15NNOESY, no=459, id=453, vol=7.615939e+05
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   67 and name   HA) 3.372 1.421 1.421 weight 1.000 ! spec=15NNOESY, no=461, id=455, vol=2.681232e+05
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB1) 2.561 0.820 0.820 weight 1.000 ! spec=15NNOESY, no=462, id=456, vol=1.235922e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   70 and name  HB2) 2.450 0.750 0.750 weight 1.000 ! spec=15NNOESY, no=463, id=457, vol=1.129058e+06
assign (segid "   A" and resid   70 and name   HN) (segid "   A" and resid   71 and name   HN) 2.298 0.660 0.660 weight 1.000 ! spec=15NNOESY, no=465, id=459, vol=1.486779e+06
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   68 and name   HA) 3.420 1.462 1.462 weight 1.000 ! spec=15NNOESY, no=467, id=461, vol=2.151270e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name  HB2) 2.690 0.904 0.904 weight 1.000 ! spec=15NNOESY, no=468, id=462, vol=6.332848e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name  HB1) 2.887 1.042 1.042 weight 1.000 ! spec=15NNOESY, no=469, id=463, vol=5.288327e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name  HB1) 4.010 2.010 2.010 weight 1.000 ! spec=15NNOESY, no=470, id=464, vol=3.059107e+05
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   72 and name   HN) 2.450 0.750 0.750 weight 1.000 ! spec=15NNOESY, no=471, id=465, vol=1.302112e+06
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name   HA) 3.051 1.164 1.164 weight 1.000 ! spec=15NNOESY, no=474, id=468, vol=4.839556e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HB1) 3.420 1.462 1.462 weight 1.000 ! spec=15NNOESY, no=475, id=469, vol=2.348144e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   72 and name  HB2) 3.026 1.144 1.144 weight 1.000 ! spec=15NNOESY, no=476, id=470, vol=5.212145e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name  HB2) 3.286 1.350 1.350 weight 1.000 ! spec=15NNOESY, no=477, id=471, vol=3.415278e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   71 and name  HB1) 3.333 1.389 1.389 weight 1.000 ! spec=15NNOESY, no=478, id=472, vol=2.481917e+05
assign (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   75 and name  HB1) 3.236 1.309 1.309 weight 1.000 ! spec=15NNOESY, no=479, id=473, vol=3.460868e+05
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   72 and name   HN) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   74 and name   HN) (segid "   A" and resid   74 and name  HA1) 3.572 1.595 1.595 weight 1.000 ! spec=15NNOESY, no=480, id=474, vol=1.989831e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name   HN) 3.467 1.503 1.503 weight 1.000 ! spec=15NNOESY, no=481, id=475, vol=2.865760e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   69 and name   HA) 3.169 1.255 1.255 weight 1.000 ! spec=15NNOESY, no=482, id=476, vol=2.490908e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name   HA) 2.561 0.820 0.820 weight 1.000 ! spec=15NNOESY, no=483, id=477, vol=9.154595e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name  HA1) 3.904 1.905 1.905 weight 1.000 ! spec=15NNOESY, no=484, id=478, vol=1.487049e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   74 and name  HA2) 2.930 1.073 1.073 weight 1.000 ! spec=15NNOESY, no=485, id=479, vol=3.971827e+05
assign (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB1) 2.231 0.622 0.622 weight 1.000 ! spec=15NNOESY, no=486, id=480, vol=1.736977e+06
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HB2) 3.632 1.649 1.649 weight 1.000 ! spec=15NNOESY, no=488, id=482, vol=5.905377e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HB1) 2.875 1.033 1.033 weight 1.000 ! spec=15NNOESY, no=489, id=483, vol=4.532819e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name  HG2) 2.425 0.735 0.735 weight 1.000 ! spec=15NNOESY, no=490, id=484, vol=8.201974e+05
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HB1) 2.320 0.673 0.673 weight 1.000 ! spec=15NNOESY, no=491, id=485, vol=9.389824e+05
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HB2)
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name  HB3)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   81 and name   HA) 3.473 1.508 1.508 weight 1.000 ! spec=15NNOESY, no=492, id=486, vol=2.423513e+05
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name   HB) 3.283 1.347 1.347 weight 1.000 ! spec=15NNOESY, no=494, id=488, vol=2.153353e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HB2) 2.744 0.941 0.941 weight 1.000 ! spec=15NNOESY, no=495, id=489, vol=9.192103e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   76 and name  HB1) 3.668 1.682 1.682 weight 1.000 ! spec=15NNOESY, no=496, id=490, vol=4.168833e+05
assign (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name  HB2) 2.288 0.654 0.654 weight 1.000 ! spec=15NNOESY, no=497, id=491, vol=1.800527e+06
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   77 and name   HN) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name   HA) 2.287 0.654 0.654 weight 1.000 ! spec=15NNOESY, no=499, id=493, vol=1.281644e+06
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   65 and name   HA) 3.189 1.271 1.271 weight 1.000 ! spec=15NNOESY, no=500, id=494, vol=2.319847e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name  HB1) 2.723 0.927 0.927 weight 1.000 ! spec=15NNOESY, no=503, id=497, vol=4.742616e+05
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name  HB2) 3.185 1.268 1.268 weight 1.000 ! spec=15NNOESY, no=504, id=498, vol=6.471382e+05
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name  HB1)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   77 and name  HB3)
assign (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name HD12) 2.988 1.116 1.116 weight 1.000 ! spec=15NNOESY, no=505, id=499, vol=2.743939e+05
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name HD11)
    or (segid "   A" and resid   78 and name   HN) (segid "   A" and resid   78 and name HD13)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name   HA) 2.397 0.718 0.718 weight 1.000 ! spec=15NNOESY, no=506, id=500, vol=1.254506e+06
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name   HA) 2.749 0.945 0.945 weight 1.000 ! spec=15NNOESY, no=507, id=501, vol=6.692437e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   79 and name  HB1) 3.084 1.189 1.189 weight 1.000 ! spec=15NNOESY, no=508, id=502, vol=4.261396e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HB2) 3.220 1.296 1.296 weight 1.000 ! spec=15NNOESY, no=510, id=504, vol=4.148265e+05
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   78 and name  HB1) 3.086 1.190 1.190 weight 1.000 ! spec=15NNOESY, no=511, id=505, vol=4.635534e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=15NNOESY, no=513, id=507, vol=7.356014e+05
assign (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   82 and name   HN) 2.941 1.081 1.081 weight 1.000 ! spec=15NNOESY, no=514, id=508, vol=3.798071e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   80 and name   HA) 3.803 1.808 1.808 weight 1.000 ! spec=15NNOESY, no=515, id=509, vol=2.173851e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   79 and name   HA) 3.635 1.652 1.652 weight 1.000 ! spec=15NNOESY, no=516, id=510, vol=4.342341e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name   HA) 2.864 1.025 1.025 weight 1.000 ! spec=15NNOESY, no=517, id=511, vol=6.235316e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name   HA) 2.862 1.024 1.024 weight 1.000 ! spec=15NNOESY, no=518, id=512, vol=5.114138e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   82 and name  HB1) 2.620 0.858 0.858 weight 1.000 ! spec=15NNOESY, no=520, id=514, vol=6.367156e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HB1) 2.624 0.861 0.861 weight 1.000 ! spec=15NNOESY, no=521, id=515, vol=9.544343e+05
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HB2)
    or (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name  HB3)
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   84 and name   HN) 2.478 0.768 0.768 weight 1.000 ! spec=15NNOESY, no=522, id=516, vol=9.680306e+05
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   83 and name   HN) 2.543 0.808 0.808 weight 1.000 ! spec=15NNOESY, no=523, id=517, vol=1.035460e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   80 and name   HA) 3.569 1.592 1.592 weight 1.000 ! spec=15NNOESY, no=524, id=518, vol=2.094844e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   79 and name   HA) 3.031 1.148 1.148 weight 1.000 ! spec=15NNOESY, no=525, id=519, vol=1.164780e+06
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name   HB) 2.746 0.942 0.942 weight 1.000 ! spec=15NNOESY, no=526, id=520, vol=7.625369e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name  HG1) 2.530 0.800 0.800 weight 1.000 ! spec=15NNOESY, no=527, id=521, vol=7.374294e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   82 and name  HB1) 2.866 1.027 1.027 weight 1.000 ! spec=15NNOESY, no=528, id=522, vol=3.941919e+05
assign (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name HG22) 3.716 1.726 1.726 weight 1.000 ! spec=15NNOESY, no=529, id=523, vol=3.270288e+05
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   83 and name   HN) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   85 and name   HN) 2.842 1.010 1.010 weight 1.000 ! spec=15NNOESY, no=531, id=525, vol=6.708960e+05
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name  HB1) 2.350 0.690 0.690 weight 1.000 ! spec=15NNOESY, no=532, id=526, vol=1.427330e+06
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name  HB2) 2.619 0.857 0.857 weight 1.000 ! spec=15NNOESY, no=533, id=527, vol=8.372006e+05
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name HG22) 3.973 1.973 1.973 weight 1.000 ! spec=15NNOESY, no=534, id=528, vol=2.254498e+05
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name HG23)
    or (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   83 and name HG21)
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   86 and name   HN) 2.560 0.819 0.819 weight 1.000 ! spec=15NNOESY, no=536, id=530, vol=8.928171e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name   HA) 2.662 0.886 0.886 weight 1.000 ! spec=15NNOESY, no=537, id=531, vol=7.316981e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name   HB) 2.345 0.687 0.687 weight 1.000 ! spec=15NNOESY, no=538, id=532, vol=1.446155e+06
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name  HB1) 2.612 0.853 0.853 weight 1.000 ! spec=15NNOESY, no=539, id=533, vol=4.454562e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   84 and name  HB2) 3.807 1.812 1.812 weight 1.000 ! spec=15NNOESY, no=540, id=534, vol=4.430164e+05
assign (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name HG11) 2.333 0.680 0.680 weight 1.000 ! spec=15NNOESY, no=541, id=535, vol=1.388127e+06
    or (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name HG12)
    or (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name HG13)
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   86 and name   HN) 2.732 0.933 0.933 weight 1.000 ! spec=15NNOESY, no=544, id=537, vol=6.539380e+05
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   87 and name   HA) 2.556 0.817 0.817 weight 1.000 ! spec=15NNOESY, no=546, id=538, vol=1.071242e+06
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   88 and name  HB1) 3.436 1.475 1.475 weight 1.000 ! spec=15NNOESY, no=549, id=541, vol=9.356156e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HD1) 3.823 1.827 1.827 weight 1.000 ! spec=15NNOESY, no=559, id=546, vol=7.897083e+05
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   98 and name HD11) 3.688 1.700 1.700 weight 1.000 ! spec=15NNOESY, no=560, id=547, vol=2.381942e+05
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   89 and name   HN) 2.628 0.864 0.864 weight 1.000 ! spec=15NNOESY, no=561, id=548, vol=8.054871e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name   HA) 2.751 0.946 0.946 weight 1.000 ! spec=15NNOESY, no=563, id=550, vol=7.330031e+05
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   90 and name   HN) 2.436 0.742 0.742 weight 1.000 ! spec=15NNOESY, no=565, id=552, vol=1.159754e+06
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name   HA) 3.391 1.438 1.438 weight 1.000 ! spec=15NNOESY, no=566, id=553, vol=2.151711e+05
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name  HA1) 3.033 1.150 1.150 weight 1.000 ! spec=15NNOESY, no=567, id=554, vol=5.735221e+05
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   88 and name   HA) 3.933 1.934 1.934 weight 1.000 ! spec=15NNOESY, no=568, id=555, vol=1.479771e+05
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   90 and name  HA2) 2.451 0.751 0.751 weight 1.000 ! spec=15NNOESY, no=569, id=556, vol=9.950052e+05
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   88 and name  HB2) 3.646 1.662 1.662 weight 1.000 ! spec=15NNOESY, no=570, id=557, vol=2.995441e+05
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HB3) 2.802 0.982 0.982 weight 1.000 ! spec=15NNOESY, no=571, id=558, vol=5.233265e+05
    or (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HB1)
    or (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   90 and name   HN) (segid "   A" and resid   91 and name   HN) 2.228 0.621 0.621 weight 1.000 ! spec=15NNOESY, no=572, id=559, vol=1.119415e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name   HA) 3.048 1.161 1.161 weight 1.000 ! spec=15NNOESY, no=573, id=560, vol=3.393841e+05
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   90 and name  HA1) 2.955 1.092 1.092 weight 1.000 ! spec=15NNOESY, no=574, id=561, vol=1.162708e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   88 and name   HA) 3.395 1.440 1.440 weight 1.000 ! spec=15NNOESY, no=575, id=562, vol=1.816424e+05
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   90 and name  HA2) 3.208 1.287 1.287 weight 1.000 ! spec=15NNOESY, no=576, id=563, vol=3.493400e+05
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   91 and name  HB2) 2.449 0.750 0.750 weight 1.000 ! spec=15NNOESY, no=577, id=564, vol=1.032378e+06
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   89 and name  HB3) 4.092 2.093 2.093 weight 1.000 ! spec=15NNOESY, no=579, id=566, vol=3.313300e+05
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   89 and name  HB1)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   89 and name  HB2)
assign (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   98 and name HD11) 3.205 1.284 1.284 weight 1.000 ! spec=15NNOESY, no=580, id=567, vol=2.797554e+05
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   91 and name   HN) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   91 and name   HA) 2.379 0.708 0.708 weight 1.000 ! spec=15NNOESY, no=581, id=568, vol=1.338984e+06
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name   HA) 2.836 1.006 1.006 weight 1.000 ! spec=15NNOESY, no=582, id=569, vol=7.717005e+05
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HB1) 2.808 0.986 0.986 weight 1.000 ! spec=15NNOESY, no=584, id=570, vol=7.514971e+05
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name  HB2) 3.096 1.198 1.198 weight 1.000 ! spec=15NNOESY, no=585, id=571, vol=4.204916e+05
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   93 and name  HB2) 4.041 2.041 2.041 weight 1.000 ! spec=15NNOESY, no=587, id=573, vol=5.034932e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   92 and name   HN) 1.679 0.352 0.352 weight 1.000 ! spec=15NNOESY, no=588, id=574, vol=9.785600e+06
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   91 and name   HA) 4.065 2.065 2.065 weight 1.000 ! spec=15NNOESY, no=590, id=576, vol=2.094994e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name   HA) 3.441 1.480 1.480 weight 1.000 ! spec=15NNOESY, no=591, id=577, vol=2.400763e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   92 and name  HB1) 3.754 1.761 1.761 weight 1.000 ! spec=15NNOESY, no=592, id=578, vol=3.171774e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   94 and name  HA2) 4.167 2.170 2.170 weight 1.000 ! spec=15NNOESY, no=593, id=579, vol=3.929891e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   93 and name  HB2) 3.089 1.192 1.192 weight 1.000 ! spec=15NNOESY, no=594, id=580, vol=4.553881e+05
assign (segid "   A" and resid   93 and name   HN) (segid "   A" and resid   94 and name   HN) 2.551 0.813 0.813 weight 1.000 ! spec=15NNOESY, no=596, id=582, vol=9.640786e+05
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   93 and name   HA) 3.668 1.682 1.682 weight 1.000 ! spec=15NNOESY, no=597, id=583, vol=1.980200e+05
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HA2) 2.586 0.836 0.836 weight 1.000 ! spec=15NNOESY, no=598, id=584, vol=1.045856e+06
assign (segid "   A" and resid   94 and name   HN) (segid "   A" and resid   94 and name  HA1) 2.652 0.879 0.879 weight 1.000 ! spec=15NNOESY, no=599, id=585, vol=1.020837e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HA1) 2.743 0.940 0.940 weight 1.000 ! spec=15NNOESY, no=603, id=589, vol=6.392197e+05
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   96 and name  HA2) 2.792 0.974 0.974 weight 1.000 ! spec=15NNOESY, no=604, id=590, vol=1.069106e+06
assign (segid "   A" and resid   96 and name   HN) (segid "   A" and resid   97 and name   HN) 2.566 0.823 0.823 weight 1.000 ! spec=15NNOESY, no=605, id=591, vol=1.028124e+06
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   95 and name   HN) 3.637 1.654 1.654 weight 1.000 ! spec=15NNOESY, no=606, id=592, vol=2.513712e+05
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   97 and name   HA) 2.835 1.005 1.005 weight 1.000 ! spec=15NNOESY, no=607, id=593, vol=5.672699e+05
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   95 and name   HA) 4.146 2.149 2.149 weight 1.000 ! spec=15NNOESY, no=608, id=594, vol=2.104792e+05
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   96 and name  HA1) 3.299 1.361 1.361 weight 1.000 ! spec=15NNOESY, no=609, id=595, vol=3.139682e+05
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   96 and name  HA2) 3.581 1.603 1.603 weight 1.000 ! spec=15NNOESY, no=610, id=596, vol=2.887237e+05
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD21) 3.030 1.148 1.148 weight 1.000 ! spec=15NNOESY, no=614, id=598, vol=5.961341e+05
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD22)
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD23)
assign (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD13) 3.233 1.306 1.306 weight 1.000 ! spec=15NNOESY, no=615, id=599, vol=3.123177e+05
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD12)
    or (segid "   A" and resid   97 and name   HN) (segid "   A" and resid   87 and name HD11)
assign (segid "   A" and resid   59 and name   HN) (segid "   A" and resid   98 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=15NNOESY, no=616, id=600, vol=3.773325e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=15NNOESY, no=617, id=601, vol=3.547931e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name   HA) 2.571 0.826 0.826 weight 1.000 ! spec=15NNOESY, no=618, id=602, vol=6.005291e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name   HB) 2.317 0.671 0.671 weight 1.000 ! spec=15NNOESY, no=619, id=603, vol=7.427517e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   59 and name   HB) 2.781 0.967 0.967 weight 1.000 ! spec=15NNOESY, no=620, id=604, vol=2.759055e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HG12) 3.816 1.820 1.820 weight 1.000 ! spec=15NNOESY, no=622, id=606, vol=2.643716e+05
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HG23) 3.688 1.700 1.700 weight 1.000 ! spec=15NNOESY, no=624, id=608, vol=2.293679e+05
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HD11) 3.531 1.558 1.558 weight 1.000 ! spec=15NNOESY, no=625, id=609, vol=3.568786e+05
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HD12)
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   98 and name HD13)
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name   HA) 2.330 0.679 0.679 weight 1.000 ! spec=15NNOESY, no=626, id=610, vol=1.371143e+06
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   99 and name  HA2) 3.155 1.244 1.244 weight 1.000 ! spec=15NNOESY, no=627, id=611, vol=4.318725e+05
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid  102 and name  HB2) 2.533 0.802 0.802 weight 1.000 ! spec=15NNOESY, no=628, id=612, vol=9.088170e+05
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name HG12) 4.122 2.124 2.124 weight 1.000 ! spec=15NNOESY, no=629, id=613, vol=3.079041e+05
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name HG23) 3.106 1.206 1.206 weight 1.000 ! spec=15NNOESY, no=630, id=614, vol=4.386901e+05
    or (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name   HA) 2.967 1.101 1.101 weight 1.000 ! spec=15NNOESY, no=633, id=617, vol=5.002610e+05
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  101 and name   HA) 3.718 1.728 1.728 weight 1.000 ! spec=15NNOESY, no=634, id=618, vol=1.722729e+05
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name  HG2) 2.011 0.505 0.505 weight 1.000 ! spec=15NNOESY, no=635, id=619, vol=2.444932e+06
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  104 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=15NNOESY, no=636, id=620, vol=5.622385e+05
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  103 and name   HN) 2.658 0.883 0.883 weight 1.000 ! spec=15NNOESY, no=637, id=621, vol=6.632431e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HD1) 4.524 2.559 2.559 weight 1.000 ! spec=15NNOESY, no=638, id=622, vol=2.214070e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name  HB2) 2.470 0.763 0.763 weight 1.000 ! spec=15NNOESY, no=641, id=625, vol=9.786202e+05
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   98 and name HG23) 3.318 1.376 1.376 weight 1.000 ! spec=15NNOESY, no=642, id=626, vol=5.446460e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   98 and name HG21)
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid   98 and name HG22)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  100 and name HG21) 3.963 1.963 1.963 weight 1.000 ! spec=15NNOESY, no=643, id=627, vol=2.328020e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  103 and name  HD1) 4.968 3.085 3.085 weight 1.000 ! spec=15NNOESY, no=646, id=630, vol=1.046698e+05
    or (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  103 and name  HD2)
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  101 and name   HA) 3.747 1.755 1.755 weight 1.000 ! spec=15NNOESY, no=647, id=631, vol=1.279903e+05
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HA1) 2.816 0.992 0.992 weight 1.000 ! spec=15NNOESY, no=648, id=632, vol=1.083660e+06
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  104 and name  HA2) 2.636 0.869 0.869 weight 1.000 ! spec=15NNOESY, no=649, id=633, vol=6.839257e+05
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  103 and name  HB1) 2.653 0.880 0.880 weight 1.000 ! spec=15NNOESY, no=650, id=634, vol=6.263276e+05
assign (segid "   A" and resid  104 and name   HN) (segid "   A" and resid  105 and name   HN) 2.816 0.991 0.991 weight 1.000 ! spec=15NNOESY, no=651, id=635, vol=6.259163e+05
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=15NNOESY, no=652, id=636, vol=1.283384e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name  HA2) 3.251 1.321 1.321 weight 1.000 ! spec=15NNOESY, no=653, id=637, vol=2.425839e+05
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name  HB3) 2.270 0.644 0.644 weight 1.000 ! spec=15NNOESY, no=654, id=638, vol=1.918516e+06
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name  HB2)
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name  HB1)
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  105 and name   HA) 2.954 1.091 1.091 weight 1.000 ! spec=15NNOESY, no=655, id=639, vol=5.898803e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name   HN) 2.593 0.841 0.841 weight 1.000 ! spec=15NNOESY, no=656, id=640, vol=7.762524e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  108 and name   HN) 1.816 0.412 0.412 weight 1.000 ! spec=15NNOESY, no=657, id=641, vol=5.922166e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name   HA) 3.461 1.497 1.497 weight 1.000 ! spec=15NNOESY, no=658, id=642, vol=2.447925e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  108 and name   HA) 4.521 2.555 2.555 weight 1.000 ! spec=15NNOESY, no=659, id=643, vol=1.749747e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  104 and name  HA2) 4.089 2.090 2.090 weight 1.000 ! spec=15NNOESY, no=661, id=645, vol=2.041715e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name  HG2) 3.207 1.286 1.286 weight 1.000 ! spec=15NNOESY, no=662, id=646, vol=2.057728e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name  HB2) 3.615 1.634 1.634 weight 1.000 ! spec=15NNOESY, no=663, id=647, vol=1.450508e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name   HB) 2.348 0.689 0.689 weight 1.000 ! spec=15NNOESY, no=664, id=648, vol=1.250180e+06
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG11) 2.566 0.823 0.823 weight 1.000 ! spec=15NNOESY, no=665, id=649, vol=7.006043e+05
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG23) 3.724 1.733 1.733 weight 1.000 ! spec=15NNOESY, no=666, id=650, vol=3.942623e+05
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HD11) 4.703 2.764 2.764 weight 1.000 ! spec=15NNOESY, no=667, id=651, vol=1.061550e+05
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HD13)
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HD12)
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  108 and name  HD2) 3.110 1.209 1.209 weight 1.000 ! spec=15NNOESY, no=669, id=653, vol=1.156788e+06
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name   HB) 2.373 0.704 0.704 weight 1.000 ! spec=15NNOESY, no=670, id=654, vol=1.561164e+06
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  108 and name  HB2) 2.510 0.788 0.788 weight 1.000 ! spec=15NNOESY, no=671, id=655, vol=6.993442e+05
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG23) 3.463 1.499 1.499 weight 1.000 ! spec=15NNOESY, no=672, id=656, vol=2.669598e+05
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  109 and name   HN) 2.307 0.665 0.665 weight 1.000 ! spec=15NNOESY, no=673, id=657, vol=1.799825e+06
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  108 and name   HA) 3.087 1.191 1.191 weight 1.000 ! spec=15NNOESY, no=674, id=658, vol=5.385821e+05
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name   HA) 2.721 0.925 0.925 weight 1.000 ! spec=15NNOESY, no=675, id=659, vol=9.121666e+05
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  108 and name  HD2) 3.143 1.235 1.235 weight 1.000 ! spec=15NNOESY, no=676, id=660, vol=3.507826e+05
assign (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name  HB1) 2.300 0.661 0.661 weight 1.000 ! spec=15NNOESY, no=677, id=661, vol=1.910107e+06
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name  HB3)
    or (segid "   A" and resid  109 and name   HN) (segid "   A" and resid  109 and name  HB2)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB1) 3.115 1.213 1.213 weight 1.000 ! spec=15NNOESY, no=678, id=662, vol=1.217030e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name   HG) 3.563 1.587 1.587 weight 1.000 ! spec=15NNOESY, no=679, id=663, vol=4.669272e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HG1) 2.398 0.719 0.719 weight 1.000 ! spec=15NNOESY, no=680, id=664, vol=7.886806e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=15NNOESY, no=681, id=665, vol=6.838023e+05
assign (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   29 and name   HA) 2.856 1.020 1.020 weight 1.000 ! spec=15NNOESY, no=682, id=666, vol=6.989956e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.266 0.642 0.642 weight 1.000 ! spec=15NNOESY, no=683, id=667, vol=1.158741e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.570 0.826 0.826 weight 1.000 ! spec=15NNOESY, no=684, id=668, vol=1.067808e+06
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   85 and name   HA) 2.666 0.889 0.889 weight 1.000 ! spec=15NNOESY, no=687, id=671, vol=1.096533e+06
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   86 and name  HB1) 2.557 0.817 0.817 weight 1.000 ! spec=15NNOESY, no=688, id=672, vol=1.026137e+06
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HB1) 2.167 0.587 0.587 weight 1.000 ! spec=15NNOESY, no=690, id=674, vol=2.374694e+06
assign (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  104 and name  HA1) 2.999 1.124 1.124 weight 1.000 ! spec=15NNOESY, no=693, id=675, vol=1.027847e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.757 0.950 0.950 weight 1.000 ! spec=15NNOESY, no=694, id=676, vol=7.516725e+05
assign (segid "   A" and resid    8 and name HD21) (segid "   A" and resid    7 and name   HA) 3.124 1.220 1.220 weight 1.000 ! spec=15NNOESY, no=695, id=677, vol=4.951833e+05
assign (segid "   A" and resid   99 and name   HN) (segid "   A" and resid   91 and name   HA) 3.046 1.159 1.159 weight 1.000 ! spec=15NNOESY, no=696, id=678, vol=3.863210e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name  HB3) 2.249 0.632 0.632 weight 1.000 ! spec=15NNOESY, no=697, id=679, vol=1.872015e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name  HB1)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name  HB2)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.630 0.865 0.865 weight 1.000 ! spec=13CNOESY2, no=1, id=680, vol=1.600278e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   63 and name  HG1) 5.282 3.488 3.488 weight 1.000 ! spec=13CNOESY2, no=12, id=691, vol=1.792361e+05
    or (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   63 and name  HB1)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   39 and name  HB2) 3.861 1.863 1.863 weight 1.000 ! spec=13CNOESY2, no=19, id=698, vol=6.327899e+05
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   39 and name  HB2)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   39 and name  HB1)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name HG11) 2.319 0.672 0.672 weight 1.000 ! spec=13CNOESY2, no=20, id=699, vol=2.081663e+06
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name HG11)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid    6 and name HG12)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid    6 and name HG12)
assign (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   46 and name  HE1) 3.456 1.493 1.493 weight 1.000 ! spec=13CNOESY2, no=29, id=708, vol=3.856920e+05
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   46 and name  HE1)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   46 and name  HE1)
    or (segid "   A" and resid    6 and name HG21) (segid "   A" and resid   46 and name  HE2)
    or (segid "   A" and resid    6 and name HG23) (segid "   A" and resid   46 and name  HE2)
    or (segid "   A" and resid    6 and name HG22) (segid "   A" and resid   46 and name  HE2)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD22) 2.862 1.024 1.024 weight 1.000 ! spec=13CNOESY2, no=37, id=715, vol=2.412846e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD21)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD23)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD11)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD13)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HD12)
assign (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   11 and name  HB2) 3.634 1.651 1.651 weight 1.000 ! spec=13CNOESY2, no=43, id=721, vol=2.635794e+05
    or (segid "   A" and resid    7 and name  HB1) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid    7 and name HD22) (segid "   A" and resid    3 and name  HB1) 3.130 1.225 1.225 weight 1.000 ! spec=13CNOESY2, no=49, id=727, vol=5.617554e+05
    or (segid "   A" and resid    7 and name HD21) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    7 and name HD23) (segid "   A" and resid    3 and name  HB1)
    or (segid "   A" and resid    7 and name HD22) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    7 and name HD21) (segid "   A" and resid    3 and name  HB2)
    or (segid "   A" and resid    7 and name HD23) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    8 and name   HN) 3.922 1.923 1.923 weight 1.000 ! spec=13CNOESY2, no=58, id=736, vol=3.516284e+05
    or (segid "   A" and resid    8 and name  HB2) (segid "   A" and resid    9 and name   HN)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   85 and name   HN) 3.226 1.301 1.301 weight 1.000 ! spec=13CNOESY2, no=63, id=741, vol=4.383826e+05
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   86 and name   HN)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   25 and name  HB1) 3.437 1.477 1.477 weight 1.000 ! spec=13CNOESY2, no=66, id=744, vol=3.623194e+05
    or (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   25 and name  HB2)
assign (segid "   A" and resid   93 and name  HB2) (segid "   A" and resid   93 and name  HB1) 2.035 0.518 0.518 weight 1.000 ! spec=13CNOESY2, no=71, id=749, vol=3.465556e+06
    or (segid "   A" and resid   54 and name  HB1) (segid "   A" and resid   54 and name  HB2)
assign (segid "   A" and resid   39 and name  HE2) (segid "   A" and resid   39 and name  HD2) 2.903 1.054 1.054 weight 1.000 ! spec=13CNOESY2, no=73, id=751, vol=5.560638e+05
    or (segid "   A" and resid   39 and name  HE2) (segid "   A" and resid   39 and name  HD1)
assign (segid "   A" and resid   82 and name   HN) (segid "   A" and resid   81 and name   HA) 2.994 1.121 1.121 weight 1.000 ! spec=13CNOESY2, no=76, id=754, vol=6.302480e+05
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HN)
assign (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  108 and name  HE2) 3.373 1.422 1.422 weight 1.000 ! spec=13CNOESY2, no=87, id=764, vol=4.009629e+05
    or (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  108 and name  HE1)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid    8 and name  HB2) 3.822 1.826 1.826 weight 1.000 ! spec=13CNOESY2, no=89, id=766, vol=4.952499e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB1) 1.776 0.394 0.394 weight 1.000 ! spec=13CNOESY2, no=91, id=768, vol=1.225322e+07
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB3)
    or (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   14 and name  HB2)
    or (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   81 and name  HB1)
    or (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   81 and name  HB2)
    or (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   81 and name  HB3)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid   10 and name   HA) 2.240 0.627 0.627 weight 1.000 ! spec=13CNOESY2, no=105, id=779, vol=3.419231e+06
    or (segid "   A" and resid   10 and name  HB3) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid   10 and name   HA)
    or (segid "   A" and resid    4 and name  HB3) (segid "   A" and resid    4 and name   HA)
    or (segid "   A" and resid    4 and name  HB1) (segid "   A" and resid    4 and name   HA)
    or (segid "   A" and resid    4 and name  HB2) (segid "   A" and resid    4 and name   HA)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   18 and name   HN) 3.556 1.580 1.580 weight 1.000 ! spec=13CNOESY2, no=112, id=782, vol=4.701982e+05
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   18 and name   HN)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   18 and name   HN)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   19 and name   HN)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   19 and name   HN)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name   HA) 3.148 1.239 1.239 weight 1.000 ! spec=13CNOESY2, no=119, id=789, vol=4.974975e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   13 and name   HN) 3.285 1.349 1.349 weight 1.000 ! spec=13CNOESY2, no=125, id=795, vol=3.658892e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name   HN)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD12) 2.720 0.925 0.925 weight 1.000 ! spec=13CNOESY2, no=131, id=801, vol=1.276352e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HD13)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HG21)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HG23)
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name HG22)
assign (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HG11) 2.994 1.120 1.120 weight 1.000 ! spec=13CNOESY2, no=138, id=808, vol=4.542914e+05
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HG12)
assign (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD12) 2.387 0.712 0.712 weight 1.000 ! spec=13CNOESY2, no=140, id=810, vol=1.825225e+06
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HD13)
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HG21)
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HG23)
    or (segid "   A" and resid   12 and name   HB) (segid "   A" and resid   12 and name HG22)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   31 and name  HD2) 3.755 1.763 1.763 weight 1.000 ! spec=13CNOESY2, no=143, id=813, vol=4.928241e+05
    or (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   31 and name  HD1)
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   31 and name  HD2)
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   31 and name  HD1)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   31 and name  HD2)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   31 and name  HD1)
    or (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   35 and name   HN)
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   35 and name   HN)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   35 and name   HN)
assign (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   12 and name HG12) 2.463 0.759 0.759 weight 1.000 ! spec=13CNOESY2, no=149, id=819, vol=1.328458e+06
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   12 and name HG12)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   12 and name HG12)
    or (segid "   A" and resid   12 and name HD12) (segid "   A" and resid   12 and name HG11)
    or (segid "   A" and resid   12 and name HD11) (segid "   A" and resid   12 and name HG11)
    or (segid "   A" and resid   12 and name HD13) (segid "   A" and resid   12 and name HG11)
assign (segid "   A" and resid   81 and name   HA) (segid "   A" and resid   84 and name  HB1) 2.323 0.675 0.675 weight 1.000 ! spec=13CNOESY2, no=154, id=824, vol=1.746532e+06
    or (segid "   A" and resid  105 and name   HA) (segid "   A" and resid  108 and name  HB2)
assign (segid "   A" and resid   88 and name  HB1) (segid "   A" and resid   88 and name   HA) 2.419 0.732 0.732 weight 1.000 ! spec=13CNOESY2, no=155, id=825, vol=1.855883e+06
    or (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   34 and name   HN) (segid "   A" and resid   33 and name  HB1) 2.597 0.843 0.843 weight 1.000 ! spec=13CNOESY2, no=162, id=832, vol=1.597310e+06
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB1)
assign (segid "   A" and resid   84 and name   HN) (segid "   A" and resid   84 and name  HB2) 2.433 0.740 0.740 weight 1.000 ! spec=13CNOESY2, no=163, id=833, vol=1.490210e+06
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HB1)
assign (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   82 and name  HG2) 2.415 0.729 0.729 weight 1.000 ! spec=13CNOESY2, no=167, id=837, vol=1.657178e+06
    or (segid "   A" and resid   82 and name  HB1) (segid "   A" and resid   82 and name  HG1)
assign (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   88 and name  HG1) 2.367 0.700 0.700 weight 1.000 ! spec=13CNOESY2, no=168, id=838, vol=3.099837e+06
    or (segid "   A" and resid   88 and name  HB2) (segid "   A" and resid   88 and name  HG2)
assign (segid "   A" and resid  106 and name   HN) (segid "   A" and resid  105 and name   HA) 2.710 0.918 0.918 weight 1.000 ! spec=13CNOESY2, no=214, id=883, vol=1.278081e+06
    or (segid "   A" and resid  105 and name   HN) (segid "   A" and resid  105 and name   HA)
assign (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   71 and name  HB2) 3.271 1.338 1.338 weight 1.000 ! spec=13CNOESY2, no=234, id=900, vol=4.459691e+05
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   71 and name  HB2)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   71 and name  HB2)
    or (segid "   A" and resid   16 and name HD22) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   16 and name HD21) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   16 and name HD23) (segid "   A" and resid   71 and name  HB1)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   71 and name  HB1) 3.931 1.932 1.932 weight 1.000 ! spec=13CNOESY2, no=243, id=909, vol=2.211412e+05
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   71 and name  HB1)
    or (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   71 and name  HB2)
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   71 and name  HB2)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   71 and name  HB2)
assign (segid "   A" and resid   16 and name HD11) (segid "   A" and resid   16 and name   HG) 2.087 0.544 0.544 weight 1.000 ! spec=13CNOESY2, no=250, id=915, vol=3.383454e+06
    or (segid "   A" and resid   16 and name HD12) (segid "   A" and resid   16 and name   HG)
    or (segid "   A" and resid   16 and name HD13) (segid "   A" and resid   16 and name   HG)
    or (segid "   A" and resid   16 and name   HG) (segid "   A" and resid   16 and name HD22)
    or (segid "   A" and resid   16 and name   HG) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   16 and name   HG) (segid "   A" and resid   16 and name HD23)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=13CNOESY2, no=258, id=923, vol=1.240115e+06
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   19 and name   HN)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name  HB1) 4.393 2.412 2.412 weight 1.000 ! spec=13CNOESY2, no=268, id=932, vol=2.689656e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   20 and name  HB2)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HB2) 2.121 0.563 0.563 weight 1.000 ! spec=13CNOESY2, no=281, id=945, vol=4.308621e+06
    or (segid "   A" and resid   82 and name  HB2) (segid "   A" and resid   82 and name   HA)
assign (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   64 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=13CNOESY2, no=286, id=949, vol=6.311744e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   13 and name   HB)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   83 and name   HA) 3.790 1.796 1.796 weight 1.000 ! spec=13CNOESY2, no=287, id=950, vol=2.202861e+05
    or (segid "   A" and resid   65 and name   HA) (segid "   A" and resid   66 and name   HA)
assign (segid "   A" and resid   88 and name  HD2) (segid "   A" and resid   91 and name   HN) 4.256 2.264 2.264 weight 1.000 ! spec=13CNOESY2, no=312, id=972, vol=2.955042e+05
    or (segid "   A" and resid   88 and name  HD1) (segid "   A" and resid   91 and name   HN)
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   88 and name  HD1) 3.976 1.976 1.976 weight 1.000 ! spec=13CNOESY2, no=314, id=974, vol=4.674515e+05
    or (segid "   A" and resid   88 and name  HD2) (segid "   A" and resid   88 and name   HN)
assign (segid "   A" and resid   33 and name  HD1) (segid "   A" and resid   11 and name   HA) 4.081 2.082 2.082 weight 1.000 ! spec=13CNOESY2, no=315, id=975, vol=2.610418e+05
    or (segid "   A" and resid   65 and name  HD1) (segid "   A" and resid   79 and name   HA)
assign (segid "   A" and resid   97 and name  HD1) (segid "   A" and resid   95 and name  HB1) 3.810 1.815 1.815 weight 1.000 ! spec=13CNOESY2, no=324, id=983, vol=3.898230e+05
    or (segid "   A" and resid   97 and name  HD2) (segid "   A" and resid   95 and name  HB1)
assign (segid "   A" and resid  108 and name  HG2) (segid "   A" and resid  108 and name  HE2) 2.905 1.055 1.055 weight 1.000 ! spec=13CNOESY2, no=331, id=990, vol=6.938835e+05
    or (segid "   A" and resid  108 and name  HG1) (segid "   A" and resid  108 and name  HE2)
    or (segid "   A" and resid   33 and name  HG1) (segid "   A" and resid   33 and name  HE1)
assign (segid "   A" and resid   45 and name  HG1) (segid "   A" and resid   45 and name   HA) 3.165 1.252 1.252 weight 1.000 ! spec=13CNOESY2, no=333, id=992, vol=4.900966e+05
    or (segid "   A" and resid   33 and name  HG2) (segid "   A" and resid   33 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB2) 2.469 0.762 0.762 weight 1.000 ! spec=13CNOESY2, no=342, id=1000, vol=2.197769e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1)
assign (segid "   A" and resid   39 and name  HD2) (segid "   A" and resid   43 and name  HB2) 3.601 1.621 1.621 weight 1.000 ! spec=13CNOESY2, no=349, id=1007, vol=3.310426e+05
    or (segid "   A" and resid   39 and name  HD1) (segid "   A" and resid   43 and name  HB2)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB2) 2.615 0.855 0.855 weight 1.000 ! spec=13CNOESY2, no=371, id=1025, vol=1.750568e+06
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB1)
assign (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name  HB1) 4.120 2.122 2.122 weight 1.000 ! spec=13CNOESY2, no=383, id=1037, vol=3.459834e+05
    or (segid "   A" and resid   25 and name   HA) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   27 and name  HB2) 3.069 1.177 1.177 weight 1.000 ! spec=13CNOESY2, no=388, id=1041, vol=1.499728e+06
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   27 and name  HB2)
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   26 and name  HB2)
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB2) 2.625 0.861 0.861 weight 1.000 ! spec=13CNOESY2, no=398, id=1049, vol=1.570270e+06
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   82 and name   HA) (segid "   A" and resid   85 and name   HN) 3.070 1.178 1.178 weight 1.000 ! spec=13CNOESY2, no=410, id=1060, vol=5.700868e+05
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name   HA)
assign (segid "   A" and resid   88 and name  HB1) (segid "   A" and resid   88 and name   HA) 2.126 0.565 0.565 weight 1.000 ! spec=13CNOESY2, no=417, id=1067, vol=4.197002e+06
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   88 and name  HB2)
assign (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name  HG2) 2.946 1.085 1.085 weight 1.000 ! spec=13CNOESY2, no=427, id=1077, vol=6.901644e+05
    or (segid "   A" and resid   28 and name  HB1) (segid "   A" and resid   28 and name  HG1)
assign (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HD2) 2.595 0.842 0.842 weight 1.000 ! spec=13CNOESY2, no=441, id=1091, vol=1.480805e+06
    or (segid "   A" and resid   28 and name  HG1) (segid "   A" and resid   28 and name  HD1)
assign (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   65 and name  HD2) 2.966 1.100 1.100 weight 1.000 ! spec=13CNOESY2, no=457, id=1107, vol=1.238359e+06
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   65 and name  HD2)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   65 and name  HD2)
    or (segid "   A" and resid   77 and name  HB2) (segid "   A" and resid   76 and name  HB1)
    or (segid "   A" and resid   77 and name  HB1) (segid "   A" and resid   76 and name  HB1)
    or (segid "   A" and resid   77 and name  HB3) (segid "   A" and resid   76 and name  HB1)
assign (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   29 and name  HB2) 3.961 1.961 1.961 weight 1.000 ! spec=13CNOESY2, no=485, id=1133, vol=3.394055e+05
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   30 and name  HB2) (segid "   A" and resid   29 and name  HB3)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HB2)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HB1)
    or (segid "   A" and resid   30 and name  HB1) (segid "   A" and resid   29 and name  HB3)
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   36 and name  HB1) 3.112 1.211 1.211 weight 1.000 ! spec=13CNOESY2, no=493, id=1141, vol=4.998028e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   39 and name  HG2) 4.215 2.221 2.221 weight 1.000 ! spec=13CNOESY2, no=507, id=1155, vol=2.518381e+05
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid   39 and name  HG1)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid  108 and name  HB2)
    or (segid "   A" and resid   31 and name  HB2) (segid "   A" and resid  108 and name  HB1)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG22) 3.001 1.126 1.126 weight 1.000 ! spec=13CNOESY2, no=519, id=1167, vol=5.131392e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name HG23)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG22)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG21)
    or (segid "   A" and resid   32 and name   HN) (segid "   A" and resid   32 and name HG23)
assign (segid "   A" and resid  102 and name   HN) (segid "   A" and resid  102 and name   HA) 2.696 0.909 0.909 weight 1.000 ! spec=13CNOESY2, no=534, id=1182, vol=1.299886e+06
    or (segid "   A" and resid  102 and name   HA) (segid "   A" and resid  105 and name   HN)
assign (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   87 and name   HA) 3.515 1.545 1.545 weight 1.000 ! spec=13CNOESY2, no=535, id=1183, vol=7.439204e+05
    or (segid "   A" and resid   88 and name   HA) (segid "   A" and resid   85 and name   HA)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    9 and name  HB1) 2.234 0.624 0.624 weight 1.000 ! spec=13CNOESY2, no=539, id=1187, vol=4.394574e+06
    or (segid "   A" and resid    9 and name  HB2) (segid "   A" and resid    9 and name   HA)
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   55 and name  HE2) 2.365 0.699 0.699 weight 1.000 ! spec=13CNOESY2, no=548, id=1196, vol=1.915591e+06
    or (segid "   A" and resid   55 and name  HD1) (segid "   A" and resid   55 and name  HE2)
    or (segid "   A" and resid   65 and name  HD2) (segid "   A" and resid   65 and name  HE2)
assign (segid "   A" and resid   50 and name HG12) (segid "   A" and resid   49 and name  HG1) 3.654 1.669 1.669 weight 1.000 ! spec=13CNOESY2, no=549, id=1197, vol=3.698822e+05
    or (segid "   A" and resid   97 and name  HD2) (segid "   A" and resid   60 and name  HG1)
    or (segid "   A" and resid   97 and name  HD1) (segid "   A" and resid   60 and name  HG1)
assign (segid "   A" and resid   55 and name  HD2) (segid "   A" and resid   49 and name  HG1) 3.313 1.372 1.372 weight 1.000 ! spec=13CNOESY2, no=559, id=1204, vol=3.719186e+05
    or (segid "   A" and resid   55 and name  HD1) (segid "   A" and resid   49 and name  HG1)
assign (segid "   A" and resid  108 and name  HG1) (segid "   A" and resid  108 and name   HN) 4.292 2.303 2.303 weight 1.000 ! spec=13CNOESY2, no=564, id=1208, vol=3.470744e+05
    or (segid "   A" and resid  108 and name  HG2) (segid "   A" and resid  108 and name   HN)
assign (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   35 and name  HA1) 4.063 2.064 2.064 weight 1.000 ! spec=13CNOESY2, no=595, id=1238, vol=3.345844e+05
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   35 and name  HA1)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   35 and name  HA1)
    or (segid "   A" and resid   34 and name HG13) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   34 and name HG12) (segid "   A" and resid   32 and name   HA)
    or (segid "   A" and resid   34 and name HG11) (segid "   A" and resid   32 and name   HA)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB1) 2.271 0.645 0.645 weight 1.000 ! spec=13CNOESY2, no=607, id=1250, vol=2.338518e+06
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   36 and name  HB2)
assign (segid "   A" and resid   44 and name HG11) (segid "   A" and resid   48 and name   HN) 4.015 2.015 2.015 weight 1.000 ! spec=13CNOESY2, no=634, id=1276, vol=2.868754e+05
    or (segid "   A" and resid   44 and name HG12) (segid "   A" and resid   48 and name   HN)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   16 and name   HG) 2.996 1.122 1.122 weight 1.000 ! spec=13CNOESY2, no=646, id=1288, vol=1.161826e+06
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   16 and name   HG)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   16 and name   HG)
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   15 and name  HB3) (segid "   A" and resid   16 and name  HB2)
    or (segid "   A" and resid   15 and name  HB2) (segid "   A" and resid   16 and name  HB2)
assign (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HG2) 2.315 0.670 0.670 weight 1.000 ! spec=13CNOESY2, no=676, id=1318, vol=1.998822e+06
    or (segid "   A" and resid   39 and name  HB1) (segid "   A" and resid   39 and name  HG1)
assign (segid "   A" and resid   69 and name   HA) (segid "   A" and resid   69 and name  HG1) 2.455 0.753 0.753 weight 1.000 ! spec=13CNOESY2, no=688, id=1329, vol=1.578046e+06
    or (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HB1)
assign (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   44 and name HG11) 2.637 0.869 0.869 weight 1.000 ! spec=13CNOESY2, no=708, id=1349, vol=9.507985e+05
    or (segid "   A" and resid   44 and name   HB) (segid "   A" and resid   44 and name HG12)
assign (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name HG11) 2.314 0.669 0.669 weight 1.000 ! spec=13CNOESY2, no=715, id=1356, vol=1.967676e+06
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid   44 and name HD13) (segid "   A" and resid   44 and name HG12)
    or (segid "   A" and resid   44 and name HD11) (segid "   A" and resid   44 and name HG12)
    or (segid "   A" and resid   44 and name HD12) (segid "   A" and resid   44 and name HG12)
assign (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HE2) 2.767 0.957 0.957 weight 1.000 ! spec=13CNOESY2, no=720, id=1361, vol=7.664602e+05
    or (segid "   A" and resid   46 and name  HD1) (segid "   A" and resid   46 and name  HE1)
assign (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG21) 2.596 0.843 0.843 weight 1.000 ! spec=13CNOESY2, no=729, id=1370, vol=1.470999e+06
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name HG23)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  104 and name  HA2)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  104 and name  HA2)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  104 and name  HA2)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   67 and name  HB2) 3.838 1.841 1.841 weight 1.000 ! spec=13CNOESY2, no=731, id=1372, vol=4.138870e+05
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   67 and name  HB2)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   67 and name  HB2)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   67 and name  HB1)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   67 and name  HB1)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   67 and name  HB1)
assign (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   68 and name HD23) 3.569 1.593 1.593 weight 1.000 ! spec=13CNOESY2, no=737, id=1378, vol=2.975715e+05
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   68 and name HD23)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   68 and name HD21)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid   68 and name HD22)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   51 and name HG21) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   51 and name HG23) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   51 and name HG22) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   44 and name HG21) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   44 and name HG22) (segid "   A" and resid  100 and name HG22)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  100 and name HG21)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  100 and name HG23)
    or (segid "   A" and resid   44 and name HG23) (segid "   A" and resid  100 and name HG22)
assign (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   47 and name   HN) 3.346 1.400 1.400 weight 1.000 ! spec=13CNOESY2, no=743, id=1384, vol=4.670681e+05
    or (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   85 and name   HN)
assign (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   66 and name HD22) 3.465 1.500 1.500 weight 1.000 ! spec=13CNOESY2, no=766, id=1405, vol=6.379352e+05
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name  HB2) (segid "   A" and resid   66 and name HD23)
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   66 and name HD22)
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   66 and name HD21)
    or (segid "   A" and resid   68 and name  HB1) (segid "   A" and resid   66 and name HD23)
assign (segid "   A" and resid   78 and name  HB2) (segid "   A" and resid   78 and name  HB1) 1.842 0.424 0.424 weight 1.000 ! spec=13CNOESY2, no=770, id=1408, vol=3.405864e+06
    or (segid "   A" and resid   16 and name  HB2) (segid "   A" and resid   16 and name  HB1)
assign (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG12) 2.110 0.557 0.557 weight 1.000 ! spec=13CNOESY2, no=781, id=1419, vol=2.967919e+06
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG21)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   47 and name   HA) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG11) 2.309 0.666 0.666 weight 1.000 ! spec=13CNOESY2, no=786, id=1424, vol=2.794400e+06
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG12)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG13)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG22)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG21)
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   85 and name HG23)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   88 and name  HG2) 3.677 1.690 1.690 weight 1.000 ! spec=13CNOESY2, no=787, id=1425, vol=3.280610e+05
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   88 and name  HG1)
assign (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   89 and name   HA) 4.172 2.176 2.176 weight 1.000 ! spec=13CNOESY2, no=790, id=1428, vol=1.476214e+05
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   86 and name   HA)
assign (segid "   A" and resid   86 and name   HN) (segid "   A" and resid   85 and name   HA) 2.872 1.031 1.031 weight 1.000 ! spec=13CNOESY2, no=791, id=1429, vol=7.646514e+05
    or (segid "   A" and resid   85 and name   HN) (segid "   A" and resid   85 and name   HA)
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   44 and name HG12) 3.917 1.918 1.918 weight 1.000 ! spec=13CNOESY2, no=797, id=1435, vol=3.102201e+05
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   44 and name HG11)
assign (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG12) 2.155 0.581 0.581 weight 1.000 ! spec=13CNOESY2, no=798, id=1436, vol=2.560172e+06
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG21)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   47 and name   HB) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   46 and name  HD1) 3.656 1.671 1.671 weight 1.000 ! spec=13CNOESY2, no=807, id=1444, vol=4.027438e+05
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   46 and name  HD1)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   46 and name  HD1)
    or (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   44 and name HG11)
    or (segid "   A" and resid   47 and name HG12) (segid "   A" and resid   46 and name  HD2)
    or (segid "   A" and resid   47 and name HG11) (segid "   A" and resid   46 and name  HD2)
    or (segid "   A" and resid   47 and name HG13) (segid "   A" and resid   46 and name  HD2)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   31 and name  HB1) 3.611 1.630 1.630 weight 1.000 ! spec=13CNOESY2, no=819, id=1455, vol=5.201908e+05
    or (segid "   A" and resid   49 and name   HA) (segid "   A" and resid   48 and name  HB1)
assign (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name  HG1) 2.952 1.089 1.089 weight 1.000 ! spec=13CNOESY2, no=822, id=1458, vol=6.146019e+05
    or (segid "   A" and resid   76 and name  HB2) (segid "   A" and resid   76 and name  HG2)
assign (segid "   A" and resid   61 and name  HB2) (segid "   A" and resid   65 and name  HE1) 4.171 2.175 2.175 weight 1.000 ! spec=13CNOESY2, no=828, id=1464, vol=3.283815e+05
    or (segid "   A" and resid   61 and name  HB1) (segid "   A" and resid   65 and name  HE1)
assign (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HG2) 2.965 1.099 1.099 weight 1.000 ! spec=13CNOESY2, no=834, id=1469, vol=7.347360e+05
    or (segid "   A" and resid   60 and name  HB1) (segid "   A" and resid   60 and name  HG2)
    or (segid "   A" and resid   60 and name  HB2) (segid "   A" and resid   60 and name  HG1)
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   51 and name HG21) 4.097 2.098 2.098 weight 1.000 ! spec=13CNOESY2, no=837, id=1472, vol=2.495441e+05
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   51 and name HG22)
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   47 and name HG21)
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   47 and name HG22)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   51 and name HG21)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   51 and name HG23)
    or (segid "   A" and resid   53 and name  HB2) (segid "   A" and resid   51 and name HG22)
assign (segid "   A" and resid   49 and name  HB1) (segid "   A" and resid   49 and name  HG2) 2.490 0.775 0.775 weight 1.000 ! spec=13CNOESY2, no=842, id=1477, vol=2.092293e+06
    or (segid "   A" and resid   49 and name  HB2) (segid "   A" and resid   49 and name  HG2)
assign (segid "   A" and resid   50 and name HD12) (segid "   A" and resid    6 and name HG21) 3.571 1.594 1.594 weight 1.000 ! spec=13CNOESY2, no=857, id=1492, vol=5.414176e+05
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   50 and name HD12) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   50 and name HD11) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid    6 and name HG21)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid   50 and name HD13) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD13) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD11) (segid "   A" and resid   50 and name HD13)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid    6 and name HD12) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG21) 3.737 1.745 1.745 weight 1.000 ! spec=13CNOESY2, no=866, id=1499, vol=2.744531e+05
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG22)
    or (segid "   A" and resid   51 and name   HN) (segid "   A" and resid   50 and name HG23)
    or (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   50 and name HG21) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   50 and name HG22) (segid "   A" and resid   67 and name  HE2)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   67 and name  HE1)
    or (segid "   A" and resid   50 and name HG23) (segid "   A" and resid   67 and name  HE2)
assign (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG12) 3.099 1.200 1.200 weight 1.000 ! spec=13CNOESY2, no=882, id=1514, vol=8.113098e+05
    or (segid "   A" and resid   51 and name   HA) (segid "   A" and resid   51 and name HG11)
assign (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG11) 2.211 0.611 0.611 weight 1.000 ! spec=13CNOESY2, no=891, id=1522, vol=2.040823e+06
    or (segid "   A" and resid   51 and name   HB) (segid "   A" and resid   51 and name HG12)
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   51 and name HG12) 2.401 0.720 0.720 weight 1.000 ! spec=13CNOESY2, no=899, id=1530, vol=1.568055e+06
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   51 and name HG12)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   51 and name HG12)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   51 and name HG11)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   51 and name HG11)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   51 and name HG11)
assign (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   59 and name HG12) 3.668 1.682 1.682 weight 1.000 ! spec=13CNOESY2, no=902, id=1533, vol=5.340775e+05
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   59 and name HG12)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   59 and name HG11)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   59 and name HG13)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HD12) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HD11) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   51 and name HD13) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   80 and name  HB1) (segid "   A" and resid   80 and name   HA) 3.017 1.137 1.137 weight 1.000 ! spec=13CNOESY2, no=917, id=1548, vol=7.131200e+05
    or (segid "   A" and resid   80 and name  HB2) (segid "   A" and resid   80 and name   HA)
assign (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   47 and name HG12) 3.256 1.325 1.325 weight 1.000 ! spec=13CNOESY2, no=933, id=1564, vol=6.345924e+05
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   44 and name HG21)
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   44 and name HG22)
    or (segid "   A" and resid   48 and name  HB1) (segid "   A" and resid   44 and name HG23)
assign (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   97 and name  HD2) 5.005 3.131 3.131 weight 1.000 ! spec=13CNOESY2, no=956, id=1587, vol=2.315475e+05
    or (segid "   A" and resid   58 and name  HB2) (segid "   A" and resid   97 and name  HD1)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  103 and name  HB2) 4.014 2.014 2.014 weight 1.000 ! spec=13CNOESY2, no=967, id=1598, vol=1.910768e+05
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  103 and name  HB2)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid  103 and name  HB1)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid  103 and name  HB1)
assign (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   63 and name  HB1) 2.926 1.070 1.070 weight 1.000 ! spec=13CNOESY2, no=973, id=1604, vol=6.580814e+05
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   59 and name HG21) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   59 and name HG22) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   59 and name HG23) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB1) 2.300 0.661 0.661 weight 1.000 ! spec=13CNOESY2, no=979, id=1610, vol=2.827134e+06
    or (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HB2)
assign (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HG2) 2.182 0.595 0.595 weight 1.000 ! spec=13CNOESY2, no=981, id=1612, vol=3.964172e+06
    or (segid "   A" and resid   60 and name   HA) (segid "   A" and resid   60 and name  HG1)
assign (segid "   A" and resid  106 and name   HA) (segid "   A" and resid  108 and name   HN) 3.088 1.192 1.192 weight 1.000 ! spec=13CNOESY2, no=986, id=1616, vol=7.472442e+05
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  106 and name   HA)
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   60 and name  HG1) 5.033 3.167 3.167 weight 1.000 ! spec=13CNOESY2, no=1000, id=1630, vol=2.367539e+05
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   60 and name  HG2)
assign (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   63 and name  HB1) 4.268 2.277 2.277 weight 1.000 ! spec=13CNOESY2, no=1001, id=1631, vol=1.573902e+05
    or (segid "   A" and resid   61 and name   HA) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB1) 2.690 0.904 0.904 weight 1.000 ! spec=13CNOESY2, no=1017, id=1647, vol=1.219005e+06
    or (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   86 and name  HB2)
assign (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HB1) 2.547 0.811 0.811 weight 1.000 ! spec=13CNOESY2, no=1018, id=1648, vol=1.980884e+06
    or (segid "   A" and resid   62 and name   HA) (segid "   A" and resid   62 and name  HB2)
assign (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB1) 2.410 0.726 0.726 weight 1.000 ! spec=13CNOESY2, no=1029, id=1659, vol=1.764374e+06
    or (segid "   A" and resid   64 and name   HA) (segid "   A" and resid   64 and name  HB2)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   68 and name   HA) 3.075 1.182 1.182 weight 1.000 ! spec=13CNOESY2, no=1032, id=1662, vol=6.331562e+05
    or (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   68 and name   HA)
assign (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB2) 2.797 0.978 0.978 weight 1.000 ! spec=13CNOESY2, no=1034, id=1664, vol=7.804399e+05
    or (segid "   A" and resid   68 and name   HA) (segid "   A" and resid   68 and name  HB1)
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   87 and name   HA) 3.450 1.487 1.487 weight 1.000 ! spec=13CNOESY2, no=1039, id=1669, vol=4.790261e+05
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   61 and name   HA)
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   61 and name   HA)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   61 and name   HA)
assign (segid "   A" and resid   66 and name   HA) (segid "   A" and resid   66 and name  HB2) 2.478 0.768 0.768 weight 1.000 ! spec=13CNOESY2, no=1057, id=1687, vol=1.673170e+06
    or (segid "   A" and resid   66 and name  HB1) (segid "   A" and resid   66 and name   HA)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   67 and name  HD1) 4.106 2.108 2.108 weight 1.000 ! spec=13CNOESY2, no=1085, id=1715, vol=3.049820e+05
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   67 and name  HD1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   67 and name  HD2)
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   86 and name  HD1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   86 and name  HD2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   86 and name  HD1)
assign (segid "   A" and resid   69 and name   HN) (segid "   A" and resid   69 and name   HA) 2.792 0.975 0.975 weight 1.000 ! spec=13CNOESY2, no=1091, id=1721, vol=8.195942e+05
    or (segid "   A" and resid   75 and name   HN) (segid "   A" and resid   69 and name   HA)
assign (segid "   A" and resid   69 and name  HG1) (segid "   A" and resid   69 and name HE21) 3.125 1.221 1.221 weight 1.000 ! spec=13CNOESY2, no=1097, id=1727, vol=3.535605e+05
    or (segid "   A" and resid   69 and name  HG2) (segid "   A" and resid   69 and name HE21)
assign (segid "   A" and resid   69 and name  HG2) (segid "   A" and resid   68 and name   HA) 3.838 1.841 1.841 weight 1.000 ! spec=13CNOESY2, no=1099, id=1729, vol=5.235072e+05
    or (segid "   A" and resid   69 and name  HG2) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   69 and name  HG1) (segid "   A" and resid   69 and name  HB2) 2.406 0.724 0.724 weight 1.000 ! spec=13CNOESY2, no=1101, id=1731, vol=2.652944e+06
    or (segid "   A" and resid   69 and name  HG1) (segid "   A" and resid   69 and name  HB1)
assign (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   67 and name  HB2) 4.314 2.326 2.326 weight 1.000 ! spec=13CNOESY2, no=1106, id=1736, vol=3.424971e+05
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   67 and name  HB1)
assign (segid "   A" and resid   70 and name  HB2) (segid "   A" and resid   70 and name   HA) 2.979 1.110 1.110 weight 1.000 ! spec=13CNOESY2, no=1107, id=1737, vol=6.617480e+05
    or (segid "   A" and resid   70 and name  HB1) (segid "   A" and resid   70 and name   HA)
assign (segid "   A" and resid   78 and name   HA) (segid "   A" and resid   78 and name  HB2) 2.257 0.637 0.637 weight 1.000 ! spec=13CNOESY2, no=1127, id=1757, vol=2.505607e+06
    or (segid "   A" and resid   76 and name   HA) (segid "   A" and resid   76 and name  HB2)
assign (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name  HG2) 3.140 1.232 1.232 weight 1.000 ! spec=13CNOESY2, no=1137, id=1767, vol=3.597212e+05
    or (segid "   A" and resid   76 and name  HD1) (segid "   A" and resid   76 and name  HG1)
assign (segid "   A" and resid   76 and name  HD2) (segid "   A" and resid   76 and name  HG2) 3.249 1.319 1.319 weight 1.000 ! spec=13CNOESY2, no=1141, id=1770, vol=3.974608e+05
    or (segid "   A" and resid   76 and name  HD2) (segid "   A" and resid   76 and name  HG1)
assign (segid "   A" and resid   77 and name   HA) (segid "   A" and resid   77 and name   HN) 2.243 0.629 0.629 weight 1.000 ! spec=13CNOESY2, no=1143, id=1772, vol=2.357826e+06
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name   HA)
assign (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   25 and name  HB2) 3.887 1.889 1.889 weight 1.000 ! spec=13CNOESY2, no=1151, id=1780, vol=4.036828e+05
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   25 and name  HB2)
    or (segid "   A" and resid   78 and name HD12) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   78 and name HD11) (segid "   A" and resid   25 and name  HB1)
    or (segid "   A" and resid   78 and name HD13) (segid "   A" and resid   25 and name  HB1)
assign (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   63 and name  HB2) 4.280 2.290 2.290 weight 1.000 ! spec=13CNOESY2, no=1153, id=1782, vol=2.408468e+05
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   63 and name  HB2)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   63 and name  HB1)
    or (segid "   A" and resid   59 and name HG12) (segid "   A" and resid   63 and name  HG2)
    or (segid "   A" and resid   59 and name HG11) (segid "   A" and resid   63 and name  HG2)
    or (segid "   A" and resid   59 and name HG13) (segid "   A" and resid   63 and name  HG2)
assign (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   83 and name   HB) 3.944 1.944 1.944 weight 1.000 ! spec=13CNOESY2, no=1158, id=1787, vol=3.482402e+05
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   83 and name   HB)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   83 and name   HB)
    or (segid "   A" and resid   78 and name HD21) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   78 and name HD23) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   78 and name HD22) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   50 and name   HA) (segid "   A" and resid   50 and name   HB) 2.846 1.013 1.013 weight 1.000 ! spec=13CNOESY2, no=1175, id=1804, vol=8.646756e+05
    or (segid "   A" and resid   44 and name   HA) (segid "   A" and resid   44 and name   HB)
assign (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   82 and name  HG2) 3.914 1.915 1.915 weight 1.000 ! spec=13CNOESY2, no=1181, id=1810, vol=4.921346e+05
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   82 and name  HG2)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   82 and name  HG2)
    or (segid "   A" and resid   83 and name HG22) (segid "   A" and resid   82 and name  HG1)
    or (segid "   A" and resid   83 and name HG23) (segid "   A" and resid   82 and name  HG1)
    or (segid "   A" and resid   83 and name HG21) (segid "   A" and resid   82 and name  HG1)
assign (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   84 and name  HG1) 2.972 1.104 1.104 weight 1.000 ! spec=13CNOESY2, no=1193, id=1821, vol=1.210453e+06
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   84 and name  HG1)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   84 and name  HG1)
    or (segid "   A" and resid   85 and name HG11) (segid "   A" and resid   84 and name  HG2)
    or (segid "   A" and resid   85 and name HG12) (segid "   A" and resid   84 and name  HG2)
    or (segid "   A" and resid   85 and name HG13) (segid "   A" and resid   84 and name  HG2)
assign (segid "   A" and resid   86 and name   HA) (segid "   A" and resid   87 and name   HA) 3.114 1.212 1.212 weight 1.000 ! spec=13CNOESY2, no=1199, id=1826, vol=7.036381e+05
    or (segid "   A" and resid   85 and name   HA) (segid "   A" and resid   86 and name   HA)
assign (segid "   A" and resid   84 and name   HA) (segid "   A" and resid   86 and name  HB2) 3.880 1.882 1.882 weight 1.000 ! spec=13CNOESY2, no=1205, id=1831, vol=4.836291e+05
    or (segid "   A" and resid   86 and name  HB2) (segid "   A" and resid   83 and name   HB)
assign (segid "   A" and resid   64 and name HD22) (segid "   A" and resid   87 and name   HA) 3.052 1.164 1.164 weight 1.000 ! spec=13CNOESY2, no=1215, id=1840, vol=8.407895e+05
    or (segid "   A" and resid   64 and name HD21) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   64 and name HD23) (segid "   A" and resid   87 and name   HA)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   87 and name   HA) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   91 and name  HB1) 3.445 1.483 1.483 weight 1.000 ! spec=13CNOESY2, no=1224, id=1843, vol=3.852814e+05
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   91 and name  HB1)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   91 and name  HB1)
    or (segid "   A" and resid   87 and name HD13) (segid "   A" and resid   91 and name  HB2)
    or (segid "   A" and resid   87 and name HD12) (segid "   A" and resid   91 and name  HB2)
    or (segid "   A" and resid   87 and name HD11) (segid "   A" and resid   91 and name  HB2)
assign (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   91 and name  HB2) 3.878 1.880 1.880 weight 1.000 ! spec=13CNOESY2, no=1235, id=1854, vol=2.722688e+05
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   91 and name  HB2)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   91 and name  HB2)
    or (segid "   A" and resid   87 and name HD21) (segid "   A" and resid   91 and name  HB1)
    or (segid "   A" and resid   87 and name HD22) (segid "   A" and resid   91 and name  HB1)
    or (segid "   A" and resid   87 and name HD23) (segid "   A" and resid   91 and name  HB1)
assign (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD22) 2.844 1.011 1.011 weight 1.000 ! spec=13CNOESY2, no=1245, id=1863, vol=9.352460e+05
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD21)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD23)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD11)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD12)
    or (segid "   A" and resid   16 and name  HB1) (segid "   A" and resid   16 and name HD13)
assign (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB1) 2.337 0.682 0.682 weight 1.000 ! spec=13CNOESY2, no=1253, id=1871, vol=3.573228e+06
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   92 and name  HB2)
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid   92 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=13CNOESY2, no=1256, id=1874, vol=1.047401e+06
    or (segid "   A" and resid   92 and name   HA) (segid "   A" and resid   93 and name   HN)
assign (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG11) 2.593 0.840 0.840 weight 1.000 ! spec=13CNOESY2, no=1306, id=1910, vol=7.259434e+05
    or (segid "   A" and resid   98 and name   HB) (segid "   A" and resid   98 and name HG12)
assign (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   98 and name HG12) 2.247 0.631 0.631 weight 1.000 ! spec=13CNOESY2, no=1313, id=1917, vol=1.987728e+06
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   98 and name HG12)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   98 and name HG12)
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   98 and name HG11)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   98 and name HG11)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   98 and name HG11)
assign (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD22) 3.399 1.444 1.444 weight 1.000 ! spec=13CNOESY2, no=1314, id=1918, vol=9.034775e+05
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD22)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD21)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD23)
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   98 and name HD11) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   98 and name HD12) (segid "   A" and resid   64 and name HD13)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD11)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD12)
    or (segid "   A" and resid   98 and name HD13) (segid "   A" and resid   64 and name HD13)
assign (segid "   A" and resid   99 and name  HA2) (segid "   A" and resid  102 and name  HG2) 4.855 2.947 2.947 weight 1.000 ! spec=13CNOESY2, no=1347, id=1950, vol=2.758015e+05
    or (segid "   A" and resid   99 and name  HA2) (segid "   A" and resid  102 and name  HG1)
assign (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   99 and name  HA2) 4.435 2.458 2.458 weight 1.000 ! spec=13CNOESY2, no=1356, id=1959, vol=2.095624e+05
    or (segid "   A" and resid  100 and name   HB) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   63 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=13CNOESY2, no=1370, id=1972, vol=5.627031e+05
    or (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid  102 and name   HA)
assign (segid "   A" and resid  102 and name  HB2) (segid "   A" and resid   98 and name   HB) 3.292 1.355 1.355 weight 1.000 ! spec=13CNOESY2, no=1373, id=1975, vol=9.414075e+05
    or (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   61 and name  HB2)
    or (segid "   A" and resid   63 and name  HB2) (segid "   A" and resid   98 and name   HB)
    or (segid "   A" and resid   63 and name  HB1) (segid "   A" and resid   98 and name   HB)
assign (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB2) 2.496 0.779 0.779 weight 1.000 ! spec=13CNOESY2, no=1377, id=1979, vol=1.488404e+06
    or (segid "   A" and resid  103 and name   HA) (segid "   A" and resid  103 and name  HB1)
assign (segid "   A" and resid  106 and name  HG1) (segid "   A" and resid  106 and name   HA) 3.642 1.658 1.658 weight 1.000 ! spec=13CNOESY2, no=1412, id=2014, vol=3.036560e+05
    or (segid "   A" and resid  102 and name  HB1) (segid "   A" and resid   90 and name  HA1)
assign (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG12) 2.828 0.999 0.999 weight 1.000 ! spec=13CNOESY2, no=1424, id=2026, vol=8.450682e+05
    or (segid "   A" and resid  107 and name   HA) (segid "   A" and resid  107 and name HG11)
assign (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG11) 2.747 0.943 0.943 weight 1.000 ! spec=13CNOESY2, no=1432, id=2034, vol=8.524718e+05
    or (segid "   A" and resid  107 and name   HB) (segid "   A" and resid  107 and name HG12)
assign (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG11) 2.481 0.769 0.769 weight 1.000 ! spec=13CNOESY2, no=1440, id=2042, vol=1.385550e+06
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG11)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG11)
    or (segid "   A" and resid  107 and name HD11) (segid "   A" and resid  107 and name HG12)
    or (segid "   A" and resid  107 and name HD13) (segid "   A" and resid  107 and name HG12)
    or (segid "   A" and resid  107 and name HD12) (segid "   A" and resid  107 and name HG12)
assign (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD11) 4.479 2.508 2.508 weight 1.000 ! spec=13CNOESY2, no=1450, id=2051, vol=1.164995e+05
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid  107 and name HG12) (segid "   A" and resid   36 and name HD13)
    or (segid "   A" and resid  107 and name HG11) (segid "   A" and resid   36 and name HD11)
    or (segid "   A" and resid  107 and name HG11) (segid "   A" and resid   36 and name HD12)
    or (segid "   A" and resid  107 and name HG11) (segid "   A" and resid   36 and name HD13)
assign (segid "   A" and resid  107 and name HG23) (segid "   A" and resid  109 and name   HN) 4.154 2.157 2.157 weight 1.000 ! spec=13CNOESY2, no=1465, id=2065, vol=2.173476e+05
    or (segid "   A" and resid  107 and name HG21) (segid "   A" and resid  109 and name   HN)
    or (segid "   A" and resid  107 and name HG22) (segid "   A" and resid  109 and name   HN)
    or (segid "   A" and resid  107 and name HG23) (segid "   A" and resid   36 and name   HN)
    or (segid "   A" and resid  107 and name HG21) (segid "   A" and resid   36 and name   HN)
    or (segid "   A" and resid  107 and name HG22) (segid "   A" and resid   36 and name   HN)
assign (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG23) 3.663 1.677 1.677 weight 1.000 ! spec=13CNOESY2, no=1466, id=2066, vol=4.397015e+05
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  107 and name   HN) (segid "   A" and resid  107 and name HG22)
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG23)
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG21)
    or (segid "   A" and resid  108 and name   HN) (segid "   A" and resid  107 and name HG22)
assign (segid "   A" and resid  108 and name  HD2) (segid "   A" and resid  108 and name   HA) 2.965 1.099 1.099 weight 1.000 ! spec=13CNOESY2, no=1469, id=2069, vol=2.161367e+06
    or (segid "   A" and resid  108 and name  HD1) (segid "   A" and resid  108 and name   HA)
assign (segid "   A" and resid  108 and name   HA) (segid "   A" and resid  108 and name  HG1) 2.470 0.763 0.763 weight 1.000 ! spec=13CNOESY2, no=1470, id=2070, vol=2.473533e+06
    or (segid "   A" and resid  108 and name   HA) (segid "   A" and resid  108 and name  HG2)
assign (segid "   A" and resid  109 and name  HB1) (segid "   A" and resid  108 and name   HN) 3.349 1.402 1.402 weight 1.000 ! spec=13CNOESY2, no=1476, id=2074, vol=1.120241e+06
    or (segid "   A" and resid  109 and name  HB3) (segid "   A" and resid  108 and name   HN)
    or (segid "   A" and resid  109 and name  HB2) (segid "   A" and resid  108 and name   HN)
    or (segid "   A" and resid  109 and name  HB1) (segid "   A" and resid  107 and name   HN)
    or (segid "   A" and resid  109 and name  HB3) (segid "   A" and resid  107 and name   HN)
    or (segid "   A" and resid  109 and name  HB2) (segid "   A" and resid  107 and name   HN)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name HG12) 4.294 2.304 2.304 weight 1.000 ! spec=13CNOESY2, no=1497, id=2095, vol=2.089652e+05
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name HG11)
assign (segid "   A" and resid   36 and name HD11) (segid "   A" and resid   36 and name  HB2) 2.534 0.803 0.803 weight 1.000 ! spec=13CNOESY2, no=1500, id=2098, vol=1.439408e+06
    or (segid "   A" and resid   36 and name HD12) (segid "   A" and resid   36 and name  HB2)
    or (segid "   A" and resid   36 and name HD13) (segid "   A" and resid   36 and name  HB2)
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name HD22)
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name HD21)
    or (segid "   A" and resid   36 and name  HB2) (segid "   A" and resid   36 and name HD23)
    or (segid "   A" and resid   36 and name HD22) (segid "   A" and resid   36 and name  HB1)
    or (segid "   A" and resid   36 and name HD21) (segid "   A" and resid   36 and name  HB1)
    or (segid "   A" and resid   36 and name HD23) (segid "   A" and resid   36 and name  HB1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=15NNOESY, no=1, id=0, vol=6.602580e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.546 0.810 0.810 weight 1.000 ! spec=15NNOESY, no=2, id=1, vol=1.008601e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG21) 3.693 1.704 1.704 weight 1.000 ! spec=15NNOESY, no=15, id=12, vol=5.457862e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HG22)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD13)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD11)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name HD12)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG12) 3.569 1.592 1.592 weight 1.000 ! spec=15NNOESY, no=27, id=24, vol=6.886998e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name HG11)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.408 1.452 1.452 weight 1.000 ! spec=15NNOESY, no=29, id=26, vol=3.963874e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    3 and name  HB2)
assign (segid "   A" and resid    8 and name HD21) (segid "   A" and resid    8 and name  HB2) 3.416 1.459 1.459 weight 1.000 ! spec=15NNOESY, no=42, id=39, vol=2.770681e+05
    or (segid "   A" and resid    8 and name HD21) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid  100 and name   HN) (segid "   A" and resid  101 and name   HN) 2.624 0.861 0.861 weight 1.000 ! spec=15NNOESY, no=49, id=46, vol=8.126319e+05
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   82 and name   HN)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 2.571 0.827 0.827 weight 1.000 ! spec=15NNOESY, no=54, id=51, vol=9.881803e+05
    or (segid "   A" and resid   81 and name   HN) (segid "   A" and resid   81 and name   HA)
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   94 and name  HA1) 3.294 1.356 1.356 weight 1.000 ! spec=15NNOESY, no=55, id=52, vol=3.290462e+05
    or (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   94 and name  HA2)
assign (segid "   A" and resid   95 and name   HN) (segid "   A" and resid   95 and name  HB2) 3.331 1.387 1.387 weight 1.000 ! spec=15NNOESY, no=56, id=53, vol=2.248151e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.384 0.711 0.711 weight 1.000 ! spec=15NNOESY, no=67, id=64, vol=1.305141e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HG12) 3.099 1.200 1.200 weight 1.000 ! spec=15NNOESY, no=75, id=72, vol=7.007362e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HG11)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.573 0.827 0.827 weight 1.000 ! spec=15NNOESY, no=78, id=75, vol=1.056628e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.538 0.805 0.805 weight 1.000 ! spec=15NNOESY, no=87, id=84, vol=1.093681e+06
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HN)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 3.171 1.257 1.257 weight 1.000 ! spec=15NNOESY, no=94, id=91, vol=3.317431e+05
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   14 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG2) 2.848 1.014 1.014 weight 1.000 ! spec=15NNOESY, no=129, id=126, vol=5.265420e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG1)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HA1) 2.996 1.122 1.122 weight 1.000 ! spec=15NNOESY, no=145, id=142, vol=6.102231e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB2) 2.870 1.029 1.029 weight 1.000 ! spec=15NNOESY, no=159, id=155, vol=5.884497e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB1)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB2) 2.511 0.788 0.788 weight 1.000 ! spec=15NNOESY, no=183, id=178, vol=1.257058e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB1)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   49 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=15NNOESY, no=238, id=233, vol=3.410014e+05
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA)
assign (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HG21) 3.263 1.331 1.331 weight 1.000 ! spec=15NNOESY, no=245, id=240, vol=5.579077e+05
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HG22)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HG23)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HD12)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HD11)
    or (segid "   A" and resid   50 and name   HN) (segid "   A" and resid   50 and name HD13)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   46 and name  HG2) 3.326 1.383 1.383 weight 1.000 ! spec=15NNOESY, no=259, id=254, vol=6.190991e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   46 and name  HG1)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HG2) 3.800 1.805 1.805 weight 1.000 ! spec=15NNOESY, no=281, id=276, vol=3.582938e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HG1)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB1) 2.482 0.770 0.770 weight 1.000 ! spec=15NNOESY, no=287, id=282, vol=1.062601e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB2)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   85 and name   HA) 3.630 1.647 1.647 weight 1.000 ! spec=15NNOESY, no=299, id=294, vol=2.133278e+05
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   87 and name   HA)
assign (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name  HB2) 2.811 0.988 0.988 weight 1.000 ! spec=15NNOESY, no=302, id=297, vol=8.749669e+05
    or (segid "   A" and resid   89 and name   HN) (segid "   A" and resid   88 and name  HB1)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB1) 3.600 1.620 1.620 weight 1.000 ! spec=15NNOESY, no=303, id=298, vol=3.711967e+05
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB2)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   45 and name   HA) 3.105 1.205 1.205 weight 1.000 ! spec=15NNOESY, no=308, id=303, vol=3.412753e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG12) 3.368 1.418 1.418 weight 1.000 ! spec=15NNOESY, no=313, id=308, vol=4.244219e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG11)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG13)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG21)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG23)
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name HG22)
assign (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   48 and name   HA) 3.015 1.136 1.136 weight 1.000 ! spec=15NNOESY, no=317, id=312, vol=4.695014e+05
    or (segid "   A" and resid   49 and name   HN) (segid "   A" and resid   49 and name   HA)
assign (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB1) 2.777 0.964 0.964 weight 1.000 ! spec=15NNOESY, no=362, id=357, vol=8.575300e+05
    or (segid "   A" and resid   56 and name   HN) (segid "   A" and resid   56 and name  HB2)
assign (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB1) 2.951 1.088 1.088 weight 1.000 ! spec=15NNOESY, no=389, id=384, vol=4.929069e+05
    or (segid "   A" and resid   60 and name   HN) (segid "   A" and resid   60 and name  HB2)
assign (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB1) 2.416 0.730 0.730 weight 1.000 ! spec=15NNOESY, no=411, id=406, vol=1.292241e+06
    or (segid "   A" and resid   64 and name   HN) (segid "   A" and resid   63 and name  HB2)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   69 and name   HN) 2.604 0.848 0.848 weight 1.000 ! spec=15NNOESY, no=443, id=438, vol=6.373759e+05
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name   HN)
assign (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   68 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=15NNOESY, no=444, id=439, vol=2.635499e+05
    or (segid "   A" and resid   68 and name   HN) (segid "   A" and resid   67 and name   HA)
assign (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   70 and name   HA) 3.055 1.167 1.167 weight 1.000 ! spec=15NNOESY, no=466, id=460, vol=4.567072e+05
    or (segid "   A" and resid   71 and name   HN) (segid "   A" and resid   71 and name   HA)
assign (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   76 and name   HA) 2.170 0.588 0.588 weight 1.000 ! spec=15NNOESY, no=487, id=481, vol=1.850650e+06
    or (segid "   A" and resid   76 and name   HN) (segid "   A" and resid   75 and name   HA)
assign (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   82 and name  HG1) 2.624 0.861 0.861 weight 1.000 ! spec=15NNOESY, no=509, id=503, vol=7.194131e+05
    or (segid "   A" and resid   79 and name   HN) (segid "   A" and resid   82 and name  HG2)
assign (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   86 and name  HB1) 3.172 1.257 1.257 weight 1.000 ! spec=15NNOESY, no=548, id=540, vol=3.007156e+05
    or (segid "   A" and resid   87 and name   HN) (segid "   A" and resid   86 and name  HB2)
assign (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   87 and name   HA) 3.123 1.219 1.219 weight 1.000 ! spec=15NNOESY, no=557, id=545, vol=4.740432e+05
    or (segid "   A" and resid   88 and name   HN) (segid "   A" and resid   85 and name   HA)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   39 and name  HB2) 2.848 1.014 1.014 weight 1.000 ! spec=15NNOESY, no=578, id=565, vol=9.440085e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   39 and name  HB1)
assign (segid "   A" and resid   92 and name   HN) (segid "   A" and resid  102 and name  HG1) 2.760 0.952 0.952 weight 1.000 ! spec=15NNOESY, no=586, id=572, vol=6.448364e+05
    or (segid "   A" and resid   92 and name   HN) (segid "   A" and resid  102 and name  HB1)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HD1) 3.293 1.356 1.356 weight 1.000 ! spec=15NNOESY, no=621, id=605, vol=3.579409e+05
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HD2)
assign (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HG1) 3.025 1.144 1.144 weight 1.000 ! spec=15NNOESY, no=623, id=607, vol=4.634582e+05
    or (segid "   A" and resid   98 and name   HN) (segid "   A" and resid   97 and name  HG2)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name   HA) 2.855 1.019 1.019 weight 1.000 ! spec=15NNOESY, no=639, id=623, vol=5.727113e+05
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  102 and name   HA)
assign (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB1) 2.457 0.755 0.755 weight 1.000 ! spec=15NNOESY, no=640, id=624, vol=1.219634e+06
    or (segid "   A" and resid  103 and name   HN) (segid "   A" and resid  103 and name  HB2) ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -84.40 30.40 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -33.50 20.00 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -133.50 21.50 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 150.20 28.90 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -76.50 24.30 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 141.20 34.40 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -55.60 20.00 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -41.90 20.00 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -64.60 20.00 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -69.30 20.00 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -35.50 20.00 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -40.40 20.00 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -65.10 20.00 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -43.80 20.00 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -62.40 20.00 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -40.40 20.00 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -64.60 20.00 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -41.80 20.00 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -65.00 20.00 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -39.00 20.00 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -67.70 20.00 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -39.90 20.00 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -65.00 20.00 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -32.90 20.00 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -68.80 20.00 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -22.90 20.00 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -57.70 20.00 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 133.30 20.00 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00  90.00 20.00 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00  -5.60 20.40 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -102.90 33.90 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 101.50 20.80 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -63.00 20.00 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 -34.20 20.00 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -65.10 20.00 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 -42.50 20.00 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -67.50 20.00 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -38.50 20.00 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -64.60 20.00 2

 ASSIGN  (segid "   A" and resid 30   and name N   ) (segid "   A" and resid 30   and name CA  )
         (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )  1.00 -43.10 20.00 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00 -66.00 20.00 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00 -36.70 20.00 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -64.20 20.00 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00 -42.30 20.00 2

 ASSIGN  (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )
         (segid "   A" and resid 33   and name CA  ) (segid "   A" and resid 33   and name C   )  1.00 -66.30 20.00 2

 ASSIGN  (segid "   A" and resid 33   and name N   ) (segid "   A" and resid 33   and name CA  )
         (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )  1.00 -28.50 20.00 2

 ASSIGN  (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )
         (segid "   A" and resid 34   and name CA  ) (segid "   A" and resid 34   and name C   )  1.00 -78.70 20.00 2

 ASSIGN  (segid "   A" and resid 34   and name N   ) (segid "   A" and resid 34   and name CA  )
         (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )  1.00 -14.90 20.00 2

 ASSIGN  (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )
         (segid "   A" and resid 37   and name CA  ) (segid "   A" and resid 37   and name C   )  1.00 -73.20 20.00 2

 ASSIGN  (segid "   A" and resid 37   and name N   ) (segid "   A" and resid 37   and name CA  )
         (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )  1.00 -25.60 20.00 2

 ASSIGN  (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )
         (segid "   A" and resid 39   and name CA  ) (segid "   A" and resid 39   and name C   )  1.00 -100.50 53.50 2

 ASSIGN  (segid "   A" and resid 39   and name N   ) (segid "   A" and resid 39   and name CA  )
         (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )  1.00 148.40 29.60 2

 ASSIGN  (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )
         (segid "   A" and resid 40   and name CA  ) (segid "   A" and resid 40   and name C   )  1.00 -84.40 45.50 2

 ASSIGN  (segid "   A" and resid 40   and name N   ) (segid "   A" and resid 40   and name CA  )
         (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )  1.00 152.80 20.80 2

 ASSIGN  (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )
         (segid "   A" and resid 42   and name CA  ) (segid "   A" and resid 42   and name C   )  1.00 -64.00 20.00 2

 ASSIGN  (segid "   A" and resid 42   and name N   ) (segid "   A" and resid 42   and name CA  )
         (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )  1.00 -38.50 20.00 2

 ASSIGN  (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )
         (segid "   A" and resid 43   and name CA  ) (segid "   A" and resid 43   and name C   )  1.00 -69.50 20.00 2

 ASSIGN  (segid "   A" and resid 43   and name N   ) (segid "   A" and resid 43   and name CA  )
         (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )  1.00 -39.40 20.00 2

 ASSIGN  (segid "   A" and resid 43   and name C   ) (segid "   A" and resid 44   and name N   )
         (segid "   A" and resid 44   and name CA  ) (segid "   A" and resid 44   and name C   )  1.00 -67.30 20.00 2

 ASSIGN  (segid "   A" and resid 44   and name N   ) (segid "   A" and resid 44   and name CA  )
         (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )  1.00 -42.80 20.00 2

 ASSIGN  (segid "   A" and resid 44   and name C   ) (segid "   A" and resid 45   and name N   )
         (segid "   A" and resid 45   and name CA  ) (segid "   A" and resid 45   and name C   )  1.00 -62.70 20.00 2

 ASSIGN  (segid "   A" and resid 45   and name N   ) (segid "   A" and resid 45   and name CA  )
         (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )  1.00 -39.70 20.00 2

 ASSIGN  (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )
         (segid "   A" and resid 46   and name CA  ) (segid "   A" and resid 46   and name C   )  1.00 -65.10 20.00 2

 ASSIGN  (segid "   A" and resid 46   and name N   ) (segid "   A" and resid 46   and name CA  )
         (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )  1.00 -40.90 20.00 2

 ASSIGN  (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )
         (segid "   A" and resid 47   and name CA  ) (segid "   A" and resid 47   and name C   )  1.00 -65.50 20.00 2

 ASSIGN  (segid "   A" and resid 47   and name N   ) (segid "   A" and resid 47   and name CA  )
         (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )  1.00 -43.60 20.00 2

 ASSIGN  (segid "   A" and resid 47   and name C   ) (segid "   A" and resid 48   and name N   )
         (segid "   A" and resid 48   and name CA  ) (segid "   A" and resid 48   and name C   )  1.00 -61.30 20.00 2

 ASSIGN  (segid "   A" and resid 48   and name N   ) (segid "   A" and resid 48   and name CA  )
         (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )  1.00 -43.40 20.00 2

 ASSIGN  (segid "   A" and resid 48   and name C   ) (segid "   A" and resid 49   and name N   )
         (segid "   A" and resid 49   and name CA  ) (segid "   A" and resid 49   and name C   )  1.00 -63.30 20.00 2

 ASSIGN  (segid "   A" and resid 49   and name N   ) (segid "   A" and resid 49   and name CA  )
         (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )  1.00 -35.80 20.00 2

 ASSIGN  (segid "   A" and resid 49   and name C   ) (segid "   A" and resid 50   and name N   )
         (segid "   A" and resid 50   and name CA  ) (segid "   A" and resid 50   and name C   )  1.00 -66.10 20.00 2

 ASSIGN  (segid "   A" and resid 50   and name N   ) (segid "   A" and resid 50   and name CA  )
         (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )  1.00 -39.00 20.00 2

 ASSIGN  (segid "   A" and resid 50   and name C   ) (segid "   A" and resid 51   and name N   )
         (segid "   A" and resid 51   and name CA  ) (segid "   A" and resid 51   and name C   )  1.00 -75.90 20.00 2

 ASSIGN  (segid "   A" and resid 51   and name N   ) (segid "   A" and resid 51   and name CA  )
         (segid "   A" and resid 51   and name C   ) (segid "   A" and resid 52   and name N   )  1.00 -31.20 20.00 2

 ASSIGN  (segid "   A" and resid 52   and name C   ) (segid "   A" and resid 53   and name N   )
         (segid "   A" and resid 53   and name CA  ) (segid "   A" and resid 53   and name C   )  1.00 -64.40 20.00 2

 ASSIGN  (segid "   A" and resid 53   and name C   ) (segid "   A" and resid 54   and name N   )
         (segid "   A" and resid 54   and name CA  ) (segid "   A" and resid 54   and name C   )  1.00 -90.20 20.00 2

 ASSIGN  (segid "   A" and resid 53   and name N   ) (segid "   A" and resid 53   and name CA  )
         (segid "   A" and resid 53   and name C   ) (segid "   A" and resid 54   and name N   )  1.00 -35.20 20.70 2

 ASSIGN  (segid "   A" and resid 54   and name N   ) (segid "   A" and resid 54   and name CA  )
         (segid "   A" and resid 54   and name C   ) (segid "   A" and resid 55   and name N   )  1.00   1.50 20.00 2

 ASSIGN  (segid "   A" and resid 54   and name C   ) (segid "   A" and resid 55   and name N   )
         (segid "   A" and resid 55   and name CA  ) (segid "   A" and resid 55   and name C   )  1.00  48.90 20.00 2

 ASSIGN  (segid "   A" and resid 55   and name N   ) (segid "   A" and resid 55   and name CA  )
         (segid "   A" and resid 55   and name C   ) (segid "   A" and resid 56   and name N   )  1.00  42.00 20.00 2

 ASSIGN  (segid "   A" and resid 56   and name C   ) (segid "   A" and resid 57   and name N   )
         (segid "   A" and resid 57   and name CA  ) (segid "   A" and resid 57   and name C   )  1.00  59.00 21.20 2

 ASSIGN  (segid "   A" and resid 57   and name N   ) (segid "   A" and resid 57   and name CA  )
         (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )  1.00  28.20 29.10 2

 ASSIGN  (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )
         (segid "   A" and resid 58   and name CA  ) (segid "   A" and resid 58   and name C   )  1.00 -134.70 26.20 2

 ASSIGN  (segid "   A" and resid 58   and name N   ) (segid "   A" and resid 58   and name CA  )
         (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )  1.00 148.00 31.50 2

 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -99.80 28.00 2

 ASSIGN  (segid "   A" and resid 59   and name N   ) (segid "   A" and resid 59   and name CA  )
         (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )  1.00 115.00 51.30 2

 ASSIGN  (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )
         (segid "   A" and resid 60   and name CA  ) (segid "   A" and resid 60   and name C   )  1.00 -71.70 20.00 2

 ASSIGN  (segid "   A" and resid 60   and name N   ) (segid "   A" and resid 60   and name CA  )
         (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )  1.00 148.90 36.50 2

 ASSIGN  (segid "   A" and resid 60   and name C   ) (segid "   A" and resid 61   and name N   )
         (segid "   A" and resid 61   and name CA  ) (segid "   A" and resid 61   and name C   )  1.00 -57.70 20.00 2

 ASSIGN  (segid "   A" and resid 61   and name N   ) (segid "   A" and resid 61   and name CA  )
         (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )  1.00 -41.10 20.00 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00 -62.90 20.00 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00 -36.20 20.00 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -70.40 20.00 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 -39.10 20.00 2

 ASSIGN  (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )
         (segid "   A" and resid 64   and name CA  ) (segid "   A" and resid 64   and name C   )  1.00 -66.00 20.00 2

 ASSIGN  (segid "   A" and resid 64   and name N   ) (segid "   A" and resid 64   and name CA  )
         (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )  1.00 -40.20 20.00 2

 ASSIGN  (segid "   A" and resid 64   and name C   ) (segid "   A" and resid 65   and name N   )
         (segid "   A" and resid 65   and name CA  ) (segid "   A" and resid 65   and name C   )  1.00 -64.10 20.00 2

 ASSIGN  (segid "   A" and resid 65   and name N   ) (segid "   A" and resid 65   and name CA  )
         (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )  1.00 -38.10 20.00 2

 ASSIGN  (segid "   A" and resid 65   and name C   ) (segid "   A" and resid 66   and name N   )
         (segid "   A" and resid 66   and name CA  ) (segid "   A" and resid 66   and name C   )  1.00 -75.50 23.10 2

 ASSIGN  (segid "   A" and resid 66   and name N   ) (segid "   A" and resid 66   and name CA  )
         (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )  1.00 -30.30 34.50 2

 ASSIGN  (segid "   A" and resid 66   and name C   ) (segid "   A" and resid 67   and name N   )
         (segid "   A" and resid 67   and name CA  ) (segid "   A" and resid 67   and name C   )  1.00 -63.70 20.00 2

 ASSIGN  (segid "   A" and resid 67   and name N   ) (segid "   A" and resid 67   and name CA  )
         (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )  1.00 -46.00 20.00 2

 ASSIGN  (segid "   A" and resid 67   and name C   ) (segid "   A" and resid 68   and name N   )
         (segid "   A" and resid 68   and name CA  ) (segid "   A" and resid 68   and name C   )  1.00 -65.60 20.00 2

 ASSIGN  (segid "   A" and resid 68   and name N   ) (segid "   A" and resid 68   and name CA  )
         (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )  1.00 -36.30 20.00 2

 ASSIGN  (segid "   A" and resid 68   and name C   ) (segid "   A" and resid 69   and name N   )
         (segid "   A" and resid 69   and name CA  ) (segid "   A" and resid 69   and name C   )  1.00 -66.60 20.00 2

 ASSIGN  (segid "   A" and resid 69   and name N   ) (segid "   A" and resid 69   and name CA  )
         (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )  1.00 -24.70 20.00 2

 ASSIGN  (segid "   A" and resid 69   and name C   ) (segid "   A" and resid 70   and name N   )
         (segid "   A" and resid 70   and name CA  ) (segid "   A" and resid 70   and name C   )  1.00 -76.50 23.50 2

 ASSIGN  (segid "   A" and resid 70   and name N   ) (segid "   A" and resid 70   and name CA  )
         (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )  1.00 -21.10 20.00 2

 ASSIGN  (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )
         (segid "   A" and resid 71   and name CA  ) (segid "   A" and resid 71   and name C   )  1.00 -85.50 23.20 2

 ASSIGN  (segid "   A" and resid 71   and name N   ) (segid "   A" and resid 71   and name CA  )
         (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )  1.00 -36.80 26.40 2

 ASSIGN  (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )
         (segid "   A" and resid 73   and name CA  ) (segid "   A" and resid 73   and name C   )  1.00 -66.90 20.00 2

 ASSIGN  (segid "   A" and resid 73   and name N   ) (segid "   A" and resid 73   and name CA  )
         (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )  1.00 -23.00 20.00 2

 ASSIGN  (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )
         (segid "   A" and resid 75   and name CA  ) (segid "   A" and resid 75   and name C   )  1.00 -84.90 36.50 2

 ASSIGN  (segid "   A" and resid 75   and name N   ) (segid "   A" and resid 75   and name CA  )
         (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )  1.00 147.30 22.10 2

 ASSIGN  (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )
         (segid "   A" and resid 76   and name CA  ) (segid "   A" and resid 76   and name C   )  1.00 -84.50 34.50 2

 ASSIGN  (segid "   A" and resid 76   and name N   ) (segid "   A" and resid 76   and name CA  )
         (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )  1.00 149.60 24.50 2

 ASSIGN  (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )
         (segid "   A" and resid 77   and name CA  ) (segid "   A" and resid 77   and name C   )  1.00 -68.40 21.70 2

 ASSIGN  (segid "   A" and resid 77   and name N   ) (segid "   A" and resid 77   and name CA  )
         (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )  1.00 141.50 22.60 2

 ASSIGN  (segid "   A" and resid 77   and name C   ) (segid "   A" and resid 78   and name N   )
         (segid "   A" and resid 78   and name CA  ) (segid "   A" and resid 78   and name C   )  1.00 -76.50 22.40 2

 ASSIGN  (segid "   A" and resid 78   and name N   ) (segid "   A" and resid 78   and name CA  )
         (segid "   A" and resid 78   and name C   ) (segid "   A" and resid 79   and name N   )  1.00 134.20 20.20 2

 ASSIGN  (segid "   A" and resid 80   and name C   ) (segid "   A" and resid 81   and name N   )
         (segid "   A" and resid 81   and name CA  ) (segid "   A" and resid 81   and name C   )  1.00 -60.50 20.00 2

 ASSIGN  (segid "   A" and resid 81   and name N   ) (segid "   A" and resid 81   and name CA  )
         (segid "   A" and resid 81   and name C   ) (segid "   A" and resid 82   and name N   )  1.00 -38.20 20.00 2

 ASSIGN  (segid "   A" and resid 81   and name C   ) (segid "   A" and resid 82   and name N   )
         (segid "   A" and resid 82   and name CA  ) (segid "   A" and resid 82   and name C   )  1.00 -65.70 20.00 2

 ASSIGN  (segid "   A" and resid 82   and name N   ) (segid "   A" and resid 82   and name CA  )
         (segid "   A" and resid 82   and name C   ) (segid "   A" and resid 83   and name N   )  1.00 -45.30 20.00 2

 ASSIGN  (segid "   A" and resid 82   and name C   ) (segid "   A" and resid 83   and name N   )
         (segid "   A" and resid 83   and name CA  ) (segid "   A" and resid 83   and name C   )  1.00 -65.80 20.00 2

 ASSIGN  (segid "   A" and resid 83   and name N   ) (segid "   A" and resid 83   and name CA  )
         (segid "   A" and resid 83   and name C   ) (segid "   A" and resid 84   and name N   )  1.00 -40.20 20.00 2

 ASSIGN  (segid "   A" and resid 83   and name C   ) (segid "   A" and resid 84   and name N   )
         (segid "   A" and resid 84   and name CA  ) (segid "   A" and resid 84   and name C   )  1.00 -62.80 20.00 2

 ASSIGN  (segid "   A" and resid 84   and name N   ) (segid "   A" and resid 84   and name CA  )
         (segid "   A" and resid 84   and name C   ) (segid "   A" and resid 85   and name N   )  1.00 -41.30 20.00 2

 ASSIGN  (segid "   A" and resid 84   and name C   ) (segid "   A" and resid 85   and name N   )
         (segid "   A" and resid 85   and name CA  ) (segid "   A" and resid 85   and name C   )  1.00 -65.90 20.00 2

 ASSIGN  (segid "   A" and resid 85   and name N   ) (segid "   A" and resid 85   and name CA  )
         (segid "   A" and resid 85   and name C   ) (segid "   A" and resid 86   and name N   )  1.00 -41.70 20.00 2

 ASSIGN  (segid "   A" and resid 85   and name C   ) (segid "   A" and resid 86   and name N   )
         (segid "   A" and resid 86   and name CA  ) (segid "   A" and resid 86   and name C   )  1.00 -66.90 20.00 2

 ASSIGN  (segid "   A" and resid 86   and name N   ) (segid "   A" and resid 86   and name CA  )
         (segid "   A" and resid 86   and name C   ) (segid "   A" and resid 87   and name N   )  1.00 -39.60 20.00 2

 ASSIGN  (segid "   A" and resid 86   and name C   ) (segid "   A" and resid 87   and name N   )
         (segid "   A" and resid 87   and name CA  ) (segid "   A" and resid 87   and name C   )  1.00 -64.10 20.00 2

 ASSIGN  (segid "   A" and resid 87   and name N   ) (segid "   A" and resid 87   and name CA  )
         (segid "   A" and resid 87   and name C   ) (segid "   A" and resid 88   and name N   )  1.00 -42.00 20.00 2

 ASSIGN  (segid "   A" and resid 87   and name C   ) (segid "   A" and resid 88   and name N   )
         (segid "   A" and resid 88   and name CA  ) (segid "   A" and resid 88   and name C   )  1.00 -65.40 20.00 2

 ASSIGN  (segid "   A" and resid 88   and name N   ) (segid "   A" and resid 88   and name CA  )
         (segid "   A" and resid 88   and name C   ) (segid "   A" and resid 89   and name N   )  1.00 -38.10 20.00 2

 ASSIGN  (segid "   A" and resid 88   and name C   ) (segid "   A" and resid 89   and name N   )
         (segid "   A" and resid 89   and name CA  ) (segid "   A" and resid 89   and name C   )  1.00 -73.80 20.00 2

 ASSIGN  (segid "   A" and resid 89   and name N   ) (segid "   A" and resid 89   and name CA  )
         (segid "   A" and resid 89   and name C   ) (segid "   A" and resid 90   and name N   )  1.00 -28.20 20.00 2

 ASSIGN  (segid "   A" and resid 90   and name C   ) (segid "   A" and resid 91   and name N   )
         (segid "   A" and resid 91   and name CA  ) (segid "   A" and resid 91   and name C   )  1.00 -80.90 20.00 2

 ASSIGN  (segid "   A" and resid 91   and name C   ) (segid "   A" and resid 92   and name N   )
         (segid "   A" and resid 92   and name CA  ) (segid "   A" and resid 92   and name C   )  1.00 -71.90 24.70 2

 ASSIGN  (segid "   A" and resid 91   and name N   ) (segid "   A" and resid 91   and name CA  )
         (segid "   A" and resid 91   and name C   ) (segid "   A" and resid 92   and name N   )  1.00  83.70 29.10 2

 ASSIGN  (segid "   A" and resid 92   and name N   ) (segid "   A" and resid 92   and name CA  )
         (segid "   A" and resid 92   and name C   ) (segid "   A" and resid 93   and name N   )  1.00 -27.80 22.60 2

 ASSIGN  (segid "   A" and resid 92   and name C   ) (segid "   A" and resid 93   and name N   )
         (segid "   A" and resid 93   and name CA  ) (segid "   A" and resid 93   and name C   )  1.00 -92.60 20.00 2

 ASSIGN  (segid "   A" and resid 93   and name N   ) (segid "   A" and resid 93   and name CA  )
         (segid "   A" and resid 93   and name C   ) (segid "   A" and resid 94   and name N   )  1.00  -5.50 20.00 2

 ASSIGN  (segid "   A" and resid 93   and name C   ) (segid "   A" and resid 94   and name N   )
         (segid "   A" and resid 94   and name CA  ) (segid "   A" and resid 94   and name C   )  1.00  59.90 20.00 2

 ASSIGN  (segid "   A" and resid 94   and name N   ) (segid "   A" and resid 94   and name CA  )
         (segid "   A" and resid 94   and name C   ) (segid "   A" and resid 95   and name N   )  1.00  31.80 20.00 2

 ASSIGN  (segid "   A" and resid 94   and name C   ) (segid "   A" and resid 95   and name N   )
         (segid "   A" and resid 95   and name CA  ) (segid "   A" and resid 95   and name C   )  1.00 -88.90 20.00 2

 ASSIGN  (segid "   A" and resid 95   and name N   ) (segid "   A" and resid 95   and name CA  )
         (segid "   A" and resid 95   and name C   ) (segid "   A" and resid 96   and name N   )  1.00  -0.50 20.00 2

 ASSIGN  (segid "   A" and resid 95   and name C   ) (segid "   A" and resid 96   and name N   )
         (segid "   A" and resid 96   and name CA  ) (segid "   A" and resid 96   and name C   )  1.00  82.90 20.00 2

 ASSIGN  (segid "   A" and resid 96   and name N   ) (segid "   A" and resid 96   and name CA  )
         (segid "   A" and resid 96   and name C   ) (segid "   A" and resid 97   and name N   )  1.00   7.60 20.00 2

 ASSIGN  (segid "   A" and resid 96   and name C   ) (segid "   A" and resid 97   and name N   )
         (segid "   A" and resid 97   and name CA  ) (segid "   A" and resid 97   and name C   )  1.00 -137.70 20.00 2

 ASSIGN  (segid "   A" and resid 97   and name N   ) (segid "   A" and resid 97   and name CA  )
         (segid "   A" and resid 97   and name C   ) (segid "   A" and resid 98   and name N   )  1.00 154.40 23.10 2

 ASSIGN  (segid "   A" and resid 97   and name C   ) (segid "   A" and resid 98   and name N   )
         (segid "   A" and resid 98   and name CA  ) (segid "   A" and resid 98   and name C   )  1.00 -109.50 20.00 2

 ASSIGN  (segid "   A" and resid 98   and name N   ) (segid "   A" and resid 98   and name CA  )
         (segid "   A" and resid 98   and name C   ) (segid "   A" and resid 99   and name N   )  1.00 121.60 22.00 2

 ASSIGN  (segid "   A" and resid 98   and name C   ) (segid "   A" and resid 99   and name N   )
         (segid "   A" and resid 99   and name CA  ) (segid "   A" and resid 99   and name C   )  1.00 -84.20 28.80 2

 ASSIGN  (segid "   A" and resid 99   and name N   ) (segid "   A" and resid 99   and name CA  )
         (segid "   A" and resid 99   and name C   ) (segid "   A" and resid 100  and name N   )  1.00 170.60 32.40 2

 ASSIGN  (segid "   A" and resid 99   and name C   ) (segid "   A" and resid 100  and name N   )
         (segid "   A" and resid 100  and name CA  ) (segid "   A" and resid 100  and name C   )  1.00 -59.20 20.00 2

 ASSIGN  (segid "   A" and resid 100  and name C   ) (segid "   A" and resid 101  and name N   )
         (segid "   A" and resid 101  and name CA  ) (segid "   A" and resid 101  and name C   )  1.00 -67.70 20.00 2

 ASSIGN  (segid "   A" and resid 100  and name N   ) (segid "   A" and resid 100  and name CA  )
         (segid "   A" and resid 100  and name C   ) (segid "   A" and resid 101  and name N   )  1.00 -38.80 20.00 2

 ASSIGN  (segid "   A" and resid 101  and name C   ) (segid "   A" and resid 102  and name N   )
         (segid "   A" and resid 102  and name CA  ) (segid "   A" and resid 102  and name C   )  1.00 -68.30 20.00 2

 ASSIGN  (segid "   A" and resid 101  and name N   ) (segid "   A" and resid 101  and name CA  )
         (segid "   A" and resid 101  and name C   ) (segid "   A" and resid 102  and name N   )  1.00 -37.20 20.00 2

 ASSIGN  (segid "   A" and resid 102  and name C   ) (segid "   A" and resid 103  and name N   )
         (segid "   A" and resid 103  and name CA  ) (segid "   A" and resid 103  and name C   )  1.00 -63.40 20.00 2

 ASSIGN  (segid "   A" and resid 102  and name N   ) (segid "   A" and resid 102  and name CA  )
         (segid "   A" and resid 102  and name C   ) (segid "   A" and resid 103  and name N   )  1.00 -39.50 20.00 2

 ASSIGN  (segid "   A" and resid 103  and name C   ) (segid "   A" and resid 104  and name N   )
         (segid "   A" and resid 104  and name CA  ) (segid "   A" and resid 104  and name C   )  1.00 -61.90 20.00 2

 ASSIGN  (segid "   A" and resid 103  and name N   ) (segid "   A" and resid 103  and name CA  )
         (segid "   A" and resid 103  and name C   ) (segid "   A" and resid 104  and name N   )  1.00 -45.80 20.00 2

 ASSIGN  (segid "   A" and resid 104  and name N   ) (segid "   A" and resid 104  and name CA  )
         (segid "   A" and resid 104  and name C   ) (segid "   A" and resid 105  and name N   )  1.00 -41.70 20.00 2

 ASSIGN  (segid "   A" and resid 104  and name C   ) (segid "   A" and resid 105  and name N   )
         (segid "   A" and resid 105  and name CA  ) (segid "   A" and resid 105  and name C   )  1.00 -64.80 20.00 2

 ASSIGN  (segid "   A" and resid 105  and name N   ) (segid "   A" and resid 105  and name CA  )
         (segid "   A" and resid 105  and name C   ) (segid "   A" and resid 106  and name N   )  1.00 -39.10 20.00 2

 ASSIGN  (segid "   A" and resid 105  and name C   ) (segid "   A" and resid 106  and name N   )
         (segid "   A" and resid 106  and name CA  ) (segid "   A" and resid 106  and name C   )  1.00 -67.40 20.00 2

 ASSIGN  (segid "   A" and resid 106  and name N   ) (segid "   A" and resid 106  and name CA  )
         (segid "   A" and resid 106  and name C   ) (segid "   A" and resid 107  and name N   )  1.00 -38.90 20.00 2

 ASSIGN  (segid "   A" and resid 106  and name C   ) (segid "   A" and resid 107  and name N   )
         (segid "   A" and resid 107  and name CA  ) (segid "   A" and resid 107  and name C   )  1.00 -67.10 20.00 2

 ASSIGN  (segid "   A" and resid 107  and name N   ) (segid "   A" and resid 107  and name CA  )
         (segid "   A" and resid 107  and name C   ) (segid "   A" and resid 108  and name N   )  1.00 -35.90 20.00 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1 -12.001  10.672  -4.341
    2    H2   MET   1           2HT      MET   1 -12.905   9.499  -3.526
    3    H3   MET   1           3HT      MET   1 -12.680  11.017  -2.830
    4    HA   MET   1           HA       MET   1 -14.007  12.079  -4.436
    5    HB2  MET   1           2HB      MET   1 -14.147   9.357  -5.742
    6    HB3  MET   1           1HB      MET   1 -15.168  10.716  -6.187
    7    HG2  MET   1           2HG      MET   1 -13.182  12.000  -6.809
    8    HG3  MET   1           1HG      MET   1 -12.164  10.627  -6.377
    9    HE1  MET   1           2HE      MET   1 -11.041  10.767  -8.795
   10    HE2  MET   1           3HE      MET   1 -12.091  12.117  -9.224
   11    HE3  MET   1           1HE      MET   1 -11.958  10.727 -10.301
   12    H    ALA   2           H        ALA   2 -15.305   8.779  -4.289
   13    HA   ALA   2           HA       ALA   2 -17.193   9.710  -2.224
   14    HB1  ALA   2           1HB      ALA   2 -17.688   7.727  -4.446
   15    HB2  ALA   2           2HB      ALA   2 -18.321   9.371  -4.357
   16    HB3  ALA   2           3HB      ALA   2 -18.839   8.162  -3.184
   17    H    PHE   3           H        PHE   3 -14.816   8.723  -1.402
   18    HA   PHE   3           HA       PHE   3 -15.358   5.921  -0.681
   19    HB2  PHE   3           2HB      PHE   3 -12.710   7.380  -0.826
   20    HB3  PHE   3           1HB      PHE   3 -12.920   5.713  -0.303
   21    HD1  PHE   3           1HD      PHE   3 -14.001   4.095  -1.984
   22    HD2  PHE   3           2HD      PHE   3 -12.336   7.860  -3.053
   23    HE1  PHE   3           1HE      PHE   3 -13.790   3.334  -4.315
   24    HE2  PHE   3           2HE      PHE   3 -12.124   7.110  -5.385
   25    HZ   PHE   3           HZ       PHE   3 -12.852   4.845  -6.018
   26    H    ALA   4           H        ALA   4 -13.952   5.444   1.443
   27    HA   ALA   4           HA       ALA   4 -15.151   7.077   3.501
   28    HB1  ALA   4           1HB      ALA   4 -13.293   4.707   3.729
   29    HB2  ALA   4           2HB      ALA   4 -15.055   4.629   3.711
   30    HB3  ALA   4           3HB      ALA   4 -14.221   5.432   5.042
   31    H    GLY   5           H        GLY   5 -13.940   8.087   5.209
   32    HA2  GLY   5           2HA      GLY   5 -11.689   9.567   4.239
   33    HA3  GLY   5           1HA      GLY   5 -12.378   9.657   5.854
   34    H    ILE   6           H        ILE   6 -11.803   6.490   5.260
   35    HA   ILE   6           HA       ILE   6  -9.573   6.154   6.911
   36    HB   ILE   6           HB       ILE   6 -10.688   4.382   4.724
   37   HG12  ILE   6          2HG1      ILE   6 -11.042   4.363   7.728
   38   HG13  ILE   6          1HG1      ILE   6 -12.260   4.805   6.536
   39   HG21  ILE   6          1HG2      ILE   6  -8.407   3.733   5.103
   40   HG22  ILE   6          2HG2      ILE   6  -9.479   2.536   5.834
   41   HG23  ILE   6          3HG2      ILE   6  -8.662   3.724   6.849
   42   HD11  ILE   6          3HD1      ILE   6 -11.024   2.079   6.851
   43   HD12  ILE   6          1HD1      ILE   6 -12.273   2.528   5.688
   44   HD13  ILE   6          2HD1      ILE   6 -12.624   2.565   7.417
   45    H    LEU   7           H        LEU   7  -9.913   6.742   3.487
   46    HA   LEU   7           HA       LEU   7  -6.993   7.039   3.286
   47    HB2  LEU   7           2HB      LEU   7  -7.149   6.528   0.904
   48    HB3  LEU   7           1HB      LEU   7  -7.716   5.184   1.878
   49    HG   LEU   7           HG       LEU   7  -9.708   7.131   0.771
   50   HD11  LEU   7          1HD1      LEU   7  -8.283   6.511  -1.126
   51   HD12  LEU   7          2HD1      LEU   7  -9.892   5.801  -1.257
   52   HD13  LEU   7          3HD1      LEU   7  -8.529   4.805  -0.746
   53   HD21  LEU   7          3HD2      LEU   7 -10.440   5.428   2.370
   54   HD22  LEU   7          1HD2      LEU   7  -9.784   4.167   1.327
   55   HD23  LEU   7          2HD2      LEU   7 -11.135   5.153   0.773
   56    H    ASN   8           H        ASN   8  -6.244   8.837   2.147
   57    HA   ASN   8           HA       ASN   8  -8.232  10.949   1.736
   58    HB2  ASN   8           2HB      ASN   8  -5.289  10.957   2.304
   59    HB3  ASN   8           1HB      ASN   8  -6.029  12.351   1.522
   60   HD21  ASN   8          1HD2      ASN   8  -6.169  10.297   4.368
   61   HD22  ASN   8          2HD2      ASN   8  -6.828  11.494   5.424
   62    H    ASP   9           H        ASP   9  -9.004  10.923  -0.248
   63    HA   ASP   9           HA       ASP   9  -8.021   9.653  -2.486
   64    HB2  ASP   9           2HB      ASP   9 -10.321  10.481  -2.270
   65    HB3  ASP   9           1HB      ASP   9  -9.746  12.139  -2.369
   66    H    ALA  10           H        ALA  10  -7.415  12.925  -1.389
   67    HA   ALA  10           HA       ALA  10  -6.083  13.878  -3.687
   68    HB1  ALA  10           1HB      ALA  10  -5.852  14.719  -0.796
   69    HB2  ALA  10           2HB      ALA  10  -6.964  15.376  -1.998
   70    HB3  ALA  10           3HB      ALA  10  -5.227  15.631  -2.172
   71    H    ASP  11           H        ASP  11  -4.908  12.241  -0.760
   72    HA   ASP  11           HA       ASP  11  -2.156  12.515  -1.468
   73    HB2  ASP  11           2HB      ASP  11  -3.592  10.884   0.606
   74    HB3  ASP  11           1HB      ASP  11  -1.867  10.670   0.313
   75    H    ILE  12           H        ILE  12  -4.565   9.996  -1.819
   76    HA   ILE  12           HA       ILE  12  -2.981   8.014  -2.992
   77    HB   ILE  12           HB       ILE  12  -5.865   8.766  -3.166
   78   HG12  ILE  12          2HG1      ILE  12  -6.068   6.310  -2.479
   79   HG13  ILE  12          1HG1      ILE  12  -4.322   6.334  -2.278
   80   HG21  ILE  12          1HG2      ILE  12  -5.364   8.174  -5.464
   81   HG22  ILE  12          2HG2      ILE  12  -6.344   6.920  -4.704
   82   HG23  ILE  12          3HG2      ILE  12  -4.615   6.668  -4.932
   83   HD11  ILE  12          3HD1      ILE  12  -5.404   6.652  -0.162
   84   HD12  ILE  12          1HD1      ILE  12  -6.320   8.019  -0.796
   85   HD13  ILE  12          2HD1      ILE  12  -4.570   8.133  -0.625
   86    H    THR  13           H        THR  13  -4.856  10.598  -4.526
   87    HA   THR  13           HA       THR  13  -4.051  10.155  -7.163
   88    HB   THR  13           HB       THR  13  -4.922  12.719  -5.815
   89    HG1  THR  13           1HG      THR  13  -6.615  11.386  -5.609
   90   HG21  THR  13          3HG2      THR  13  -3.875  13.146  -7.991
   91   HG22  THR  13          1HG2      THR  13  -5.609  13.466  -8.026
   92   HG23  THR  13          2HG2      THR  13  -4.970  11.984  -8.743
   93    H    ALA  14           H        ALA  14  -2.619  12.141  -4.612
   94    HA   ALA  14           HA       ALA  14  -0.805  13.609  -6.129
   95    HB1  ALA  14           1HB      ALA  14   0.405  13.972  -4.056
   96    HB2  ALA  14           2HB      ALA  14  -0.456  12.633  -3.300
   97    HB3  ALA  14           3HB      ALA  14  -1.333  14.084  -3.785
   98    H    ALA  15           H        ALA  15  -0.067  10.668  -4.221
   99    HA   ALA  15           HA       ALA  15   2.549  10.442  -5.249
  100    HB1  ALA  15           1HB      ALA  15   1.996   9.422  -3.153
  101    HB2  ALA  15           2HB      ALA  15   2.510   8.162  -4.275
  102    HB3  ALA  15           3HB      ALA  15   0.796   8.389  -3.923
  103    H    LEU  16           H        LEU  16  -0.536   9.166  -6.347
  104    HA   LEU  16           HA       LEU  16   0.541   7.328  -8.227
  105    HB2  LEU  16           2HB      LEU  16  -2.157   8.620  -7.940
  106    HB3  LEU  16           1HB      LEU  16  -1.787   7.530  -9.259
  107    HG   LEU  16           HG       LEU  16  -1.519   6.763  -6.359
  108   HD11  LEU  16          1HD1      LEU  16  -3.804   6.330  -8.266
  109   HD12  LEU  16          2HD1      LEU  16  -3.824   7.320  -6.807
  110   HD13  LEU  16          3HD1      LEU  16  -3.642   5.568  -6.685
  111   HD21  LEU  16          3HD2      LEU  16  -0.194   5.432  -7.924
  112   HD22  LEU  16          1HD2      LEU  16  -1.637   5.131  -8.891
  113   HD23  LEU  16          2HD2      LEU  16  -1.525   4.490  -7.252
  114    H    ALA  17           H        ALA  17  -0.256  10.734  -8.364
  115    HA   ALA  17           HA       ALA  17   0.067  11.002 -11.181
  116    HB1  ALA  17           1HB      ALA  17   0.340  13.062  -8.992
  117    HB2  ALA  17           2HB      ALA  17  -1.135  12.675  -9.877
  118    HB3  ALA  17           3HB      ALA  17   0.231  13.408 -10.719
  119    H    ALA  18           H        ALA  18   2.193  10.908  -8.449
  120    HA   ALA  18           HA       ALA  18   4.473  11.950  -9.871
  121    HB1  ALA  18           1HB      ALA  18   5.681  11.587  -7.823
  122    HB2  ALA  18           2HB      ALA  18   4.379  10.585  -7.186
  123    HB3  ALA  18           3HB      ALA  18   4.119  12.309  -7.443
  124    H    CYS  19           H        CYS  19   3.340   8.774  -8.753
  125    HA   CYS  19           HA       CYS  19   5.669   7.434  -9.821
  126    HB2  CYS  19           2HB      CYS  19   4.618   5.380  -9.039
  127    HB3  CYS  19           1HB      CYS  19   4.553   6.607  -7.779
  128    HG   CYS  19           HG       CYS  19   1.900   6.008  -9.833
  129    H    LYS  20           H        LYS  20   4.520   8.882 -11.795
  130    HA   LYS  20           HA       LYS  20   3.247   6.869 -13.513
  131    HB2  LYS  20           2HB      LYS  20   1.842   8.832 -13.018
  132    HB3  LYS  20           1HB      LYS  20   3.101   9.884 -13.636
  133    HG2  LYS  20           2HG      LYS  20   2.822   9.009 -15.845
  134    HG3  LYS  20           1HG      LYS  20   1.669   7.812 -15.262
  135    HD2  LYS  20           2HD      LYS  20   0.390   9.550 -16.249
  136    HD3  LYS  20           1HD      LYS  20   0.223   9.734 -14.507
  137    HE2  LYS  20           2HE      LYS  20   2.284  11.267 -16.060
  138    HE3  LYS  20           1HE      LYS  20   0.625  11.838 -15.925
  139    HZ1  LYS  20           3HZ      LYS  20   2.542  11.397 -13.700
  140    HZ2  LYS  20           1HZ      LYS  20   0.907  11.769 -13.485
  141    HZ3  LYS  20           2HZ      LYS  20   1.932  12.871 -14.248
  142    H    ALA  21           H        ALA  21   6.013   8.690 -12.913
  143    HA   ALA  21           HA       ALA  21   6.971   8.489 -15.678
  144    HB1  ALA  21           1HB      ALA  21   7.171  10.691 -14.613
  145    HB2  ALA  21           2HB      ALA  21   8.750  10.010 -15.005
  146    HB3  ALA  21           3HB      ALA  21   8.163   9.979 -13.342
  147    H    GLU  22           H        GLU  22   8.522   7.058 -16.226
  148    HA   GLU  22           HA       GLU  22   9.218   4.973 -14.459
  149    HB2  GLU  22           2HB      GLU  22   9.115   4.740 -16.924
  150    HB3  GLU  22           1HB      GLU  22  10.561   5.731 -17.056
  151    HG2  GLU  22           2HG      GLU  22  11.846   4.072 -15.855
  152    HG3  GLU  22           1HG      GLU  22  10.399   3.094 -15.615
  153    H    GLY  23           H        GLY  23  10.678   4.913 -12.928
  154    HA2  GLY  23           2HA      GLY  23  12.956   5.262 -12.163
  155    HA3  GLY  23           1HA      GLY  23  12.960   6.783 -13.053
  156    H    SER  24           H        SER  24  10.092   7.083 -12.091
  157    HA   SER  24           HA       SER  24  10.752   8.208  -9.460
  158    HB2  SER  24           2HB      SER  24   8.544   8.972 -11.397
  159    HB3  SER  24           1HB      SER  24   8.920   9.788  -9.877
  160    HG   SER  24           HG       SER  24   9.857  10.866 -11.652
  161    H    PHE  25           H        PHE  25  10.340   5.622  -9.277
  162    HA   PHE  25           HA       PHE  25   7.487   5.128  -8.848
  163    HB2  PHE  25           2HB      PHE  25   8.374   2.675  -8.679
  164    HB3  PHE  25           1HB      PHE  25   8.214   3.441 -10.251
  165    HD1  PHE  25           1HD      PHE  25  10.754   2.948  -7.552
  166    HD2  PHE  25           2HD      PHE  25   9.968   3.312 -11.719
  167    HE1  PHE  25           1HE      PHE  25  13.112   2.447  -8.037
  168    HE2  PHE  25           2HE      PHE  25  12.327   2.812 -12.209
  169    HZ   PHE  25           HZ       PHE  25  13.901   2.379 -10.367
  170    H    ASP  26           H        ASP  26   8.195   6.616  -6.840
  171    HA   ASP  26           HA       ASP  26   9.156   4.938  -4.663
  172    HB2  ASP  26           2HB      ASP  26   8.871   7.009  -3.273
  173    HB3  ASP  26           1HB      ASP  26   9.984   7.200  -4.620
  174    H    HIS  27           H        HIS  27   7.450   3.432  -4.834
  175    HA   HIS  27           HA       HIS  27   4.753   4.341  -4.375
  176    HB2  HIS  27           2HB      HIS  27   5.758   2.226  -5.748
  177    HB3  HIS  27           1HB      HIS  27   5.273   1.462  -4.226
  178    HD1  HIS  27           1HD      HIS  27   3.972   2.644  -7.429
  179    HD2  HIS  27           2HD      HIS  27   2.436   1.963  -3.611
  180    HE1  HIS  27           1HE      HIS  27   1.466   2.587  -7.690
  181    HE2  HIS  27           2HE      HIS  27   0.559   2.280  -5.364
  182    H    LYS  28           H        LYS  28   7.340   3.101  -2.547
  183    HA   LYS  28           HA       LYS  28   5.849   2.201  -0.346
  184    HB2  LYS  28           2HB      LYS  28   8.502   3.474  -0.028
  185    HB3  LYS  28           1HB      LYS  28   7.857   2.012   0.682
  186    HG2  LYS  28           2HG      LYS  28   8.023   0.943  -1.586
  187    HG3  LYS  28           1HG      LYS  28   8.971   2.350  -2.067
  188    HD2  LYS  28           2HD      LYS  28   9.646   0.480   0.203
  189    HD3  LYS  28           1HD      LYS  28  10.389   0.454  -1.393
  190    HE2  LYS  28           2HE      LYS  28  10.458   2.824   0.470
  191    HE3  LYS  28           1HE      LYS  28  11.734   1.613   0.365
  192    HZ1  LYS  28           3HZ      LYS  28  12.057   2.196  -1.948
  193    HZ2  LYS  28           1HZ      LYS  28  12.233   3.563  -0.970
  194    HZ3  LYS  28           2HZ      LYS  28  10.820   3.339  -1.868
  195    H    ALA  29           H        ALA  29   7.082   5.288  -1.430
  196    HA   ALA  29           HA       ALA  29   6.347   6.841   0.801
  197    HB1  ALA  29           1HB      ALA  29   7.849   7.659  -0.948
  198    HB2  ALA  29           2HB      ALA  29   6.483   8.747  -0.711
  199    HB3  ALA  29           3HB      ALA  29   6.512   7.658  -2.098
  200    H    PHE  30           H        PHE  30   4.590   5.631  -1.974
  201    HA   PHE  30           HA       PHE  30   2.223   7.075  -1.742
  202    HB2  PHE  30           2HB      PHE  30   2.562   5.650  -3.648
  203    HB3  PHE  30           1HB      PHE  30   2.721   4.224  -2.634
  204    HD1  PHE  30           1HD      PHE  30   0.758   3.142  -1.696
  205    HD2  PHE  30           2HD      PHE  30   0.391   6.579  -4.176
  206    HE1  PHE  30           1HE      PHE  30  -1.640   2.676  -1.982
  207    HE2  PHE  30           2HE      PHE  30  -2.009   6.122  -4.460
  208    HZ   PHE  30           HZ       PHE  30  -3.028   4.169  -3.362
  209    H    PHE  31           H        PHE  31   3.140   4.000  -0.160
  210    HA   PHE  31           HA       PHE  31   0.713   3.620   1.204
  211    HB2  PHE  31           2HB      PHE  31   3.407   2.723   2.239
  212    HB3  PHE  31           1HB      PHE  31   1.838   2.010   2.573
  213    HD1  PHE  31           2HD      PHE  31   0.584   1.639   0.047
  214    HD2  PHE  31           1HD      PHE  31   4.699   1.254   1.059
  215    HE1  PHE  31           2HE      PHE  31   0.896   0.079  -1.828
  216    HE2  PHE  31           1HE      PHE  31   5.019  -0.306  -0.816
  217    HZ   PHE  31           HZ       PHE  31   3.115  -0.894  -2.262
  218    H    THR  32           H        THR  32   3.706   5.214   2.260
  219    HA   THR  32           HA       THR  32   2.652   5.788   4.852
  220    HB   THR  32           HB       THR  32   5.019   5.533   4.677
  221    HG1  THR  32           1HG      THR  32   3.999   7.369   5.999
  222   HG21  THR  32          3HG2      THR  32   6.414   7.192   3.434
  223   HG22  THR  32          1HG2      THR  32   4.935   7.796   2.687
  224   HG23  THR  32          2HG2      THR  32   5.454   6.131   2.403
  225    H    LYS  33           H        LYS  33   2.453   7.362   1.794
  226    HA   LYS  33           HA       LYS  33   1.887   9.971   2.882
  227    HB2  LYS  33           2HB      LYS  33   2.908   9.444   0.590
  228    HB3  LYS  33           1HB      LYS  33   1.266   9.066   0.085
  229    HG2  LYS  33           2HG      LYS  33   0.577  11.343   0.749
  230    HG3  LYS  33           1HG      LYS  33   2.261  11.709   1.126
  231    HD2  LYS  33           2HD      LYS  33   2.768  11.004  -1.276
  232    HD3  LYS  33           1HD      LYS  33   1.026  11.104  -1.544
  233    HE2  LYS  33           2HE      LYS  33   2.824  13.326  -0.589
  234    HE3  LYS  33           1HE      LYS  33   2.109  13.175  -2.190
  235    HZ1  LYS  33           3HZ      LYS  33   0.484  13.366   0.282
  236    HZ2  LYS  33           1HZ      LYS  33  -0.036  13.536  -1.318
  237    HZ3  LYS  33           2HZ      LYS  33   0.950  14.718  -0.621
  238    H    VAL  34           H        VAL  34  -0.006   7.398   1.299
  239    HA   VAL  34           HA       VAL  34  -2.460   8.801   1.546
  240    HB   VAL  34           HB       VAL  34  -3.457   6.837   0.639
  241   HG11  VAL  34          1HG1      VAL  34  -0.762   7.284  -0.602
  242   HG12  VAL  34          2HG1      VAL  34  -2.222   8.223  -0.914
  243   HG13  VAL  34          3HG1      VAL  34  -2.143   6.527  -1.396
  244   HG21  VAL  34          3HG2      VAL  34  -2.231   4.743   0.295
  245   HG22  VAL  34          1HG2      VAL  34  -2.395   5.143   2.005
  246   HG23  VAL  34          2HG2      VAL  34  -0.863   5.421   1.179
  247    H    GLY  35           H        GLY  35  -0.595   7.119   3.763
  248    HA2  GLY  35           2HA      GLY  35  -1.085   6.923   6.039
  249    HA3  GLY  35           1HA      GLY  35  -2.783   7.169   5.673
  250    H    LEU  36           H        LEU  36  -1.059   4.831   3.811
  251    HA   LEU  36           HA       LEU  36  -2.908   2.814   4.688
  252    HB2  LEU  36           2HB      LEU  36  -1.967   3.176   2.318
  253    HB3  LEU  36           1HB      LEU  36  -0.543   2.337   2.901
  254    HG   LEU  36           HG       LEU  36  -2.049   0.405   3.508
  255   HD11  LEU  36          1HD1      LEU  36  -4.228   0.290   2.443
  256   HD12  LEU  36          2HD1      LEU  36  -4.027   1.923   1.813
  257   HD13  LEU  36          3HD1      LEU  36  -4.156   1.659   3.550
  258   HD21  LEU  36          3HD2      LEU  36  -0.654   0.370   1.514
  259   HD22  LEU  36          1HD2      LEU  36  -1.901   1.227   0.608
  260   HD23  LEU  36          2HD2      LEU  36  -2.205  -0.406   1.196
  261    H    ALA  37           H        ALA  37   0.293   3.764   5.495
  262    HA   ALA  37           HA       ALA  37   1.099   1.240   6.638
  263    HB1  ALA  37           1HB      ALA  37   2.733   2.862   5.745
  264    HB2  ALA  37           2HB      ALA  37   3.049   2.439   7.429
  265    HB3  ALA  37           3HB      ALA  37   2.296   3.983   7.034
  266    H    ALA  38           H        ALA  38  -1.087   3.538   7.518
  267    HA   ALA  38           HA       ALA  38  -0.863   2.856  10.373
  268    HB1  ALA  38           1HB      ALA  38  -2.126   5.307   9.139
  269    HB2  ALA  38           2HB      ALA  38  -0.567   5.255   9.961
  270    HB3  ALA  38           3HB      ALA  38  -2.050   4.937  10.862
  271    H    LYS  39           H        LYS  39  -1.994   1.077   8.637
  272    HA   LYS  39           HA       LYS  39  -4.892   1.392   9.024
  273    HB2  LYS  39           2HB      LYS  39  -3.315  -0.303   7.092
  274    HB3  LYS  39           1HB      LYS  39  -5.057  -0.445   7.302
  275    HG2  LYS  39           2HG      LYS  39  -3.677   2.122   6.548
  276    HG3  LYS  39           1HG      LYS  39  -4.305   0.966   5.372
  277    HD2  LYS  39           2HD      LYS  39  -6.460   1.518   5.781
  278    HD3  LYS  39           1HD      LYS  39  -6.176   1.782   7.501
  279    HE2  LYS  39           2HE      LYS  39  -5.201   3.674   5.375
  280    HE3  LYS  39           1HE      LYS  39  -6.787   3.822   6.123
  281    HZ1  LYS  39           3HZ      LYS  39  -4.138   4.094   7.404
  282    HZ2  LYS  39           1HZ      LYS  39  -5.552   3.859   8.308
  283    HZ3  LYS  39           2HZ      LYS  39  -5.389   5.225   7.331
  284    H    SER  40           H        SER  40  -6.106  -0.301   9.891
  285    HA   SER  40           HA       SER  40  -4.601  -2.094  11.627
  286    HB2  SER  40           2HB      SER  40  -7.590  -1.622  11.455
  287    HB3  SER  40           1HB      SER  40  -6.738  -2.482  12.734
  288    HG   SER  40           HG       SER  40  -7.335  -0.014  12.806
  289    HA   PRO  41           HA       PRO  41  -5.019  -5.941   9.469
  290    HB2  PRO  41           2HB      PRO  41  -7.037  -6.721  11.543
  291    HB3  PRO  41           1HB      PRO  41  -5.685  -7.652  10.890
  292    HG2  PRO  41           2HG      PRO  41  -5.483  -6.468  13.260
  293    HG3  PRO  41           1HG      PRO  41  -4.109  -6.500  12.140
  294    HD2  PRO  41           2HD      PRO  41  -5.881  -4.245  12.892
  295    HD3  PRO  41           1HD      PRO  41  -4.194  -4.222  12.349
  296    H    ALA  42           H        ALA  42  -8.209  -4.936  10.752
  297    HA   ALA  42           HA       ALA  42  -9.771  -6.161   8.785
  298    HB1  ALA  42           1HB      ALA  42 -10.678  -5.323  10.891
  299    HB2  ALA  42           2HB      ALA  42 -11.564  -4.677   9.510
  300    HB3  ALA  42           3HB      ALA  42 -10.395  -3.667  10.358
  301    H    ASP  43           H        ASP  43  -8.402  -2.895   8.893
  302    HA   ASP  43           HA       ASP  43  -9.612  -1.944   6.521
  303    HB2  ASP  43           2HB      ASP  43  -6.979  -1.072   7.742
  304    HB3  ASP  43           1HB      ASP  43  -7.925  -0.170   6.567
  305    H    ILE  44           H        ILE  44  -6.450  -3.338   7.233
  306    HA   ILE  44           HA       ILE  44  -5.440  -3.273   4.621
  307    HB   ILE  44           HB       ILE  44  -4.762  -4.804   7.093
  308   HG12  ILE  44          2HG1      ILE  44  -3.983  -2.537   6.982
  309   HG13  ILE  44          1HG1      ILE  44  -2.592  -3.603   6.793
  310   HG21  ILE  44          1HG2      ILE  44  -4.380  -6.437   5.331
  311   HG22  ILE  44          2HG2      ILE  44  -2.848  -5.862   5.986
  312   HG23  ILE  44          3HG2      ILE  44  -3.420  -5.263   4.429
  313   HD11  ILE  44          3HD1      ILE  44  -2.745  -3.251   4.339
  314   HD12  ILE  44          1HD1      ILE  44  -2.369  -1.800   5.267
  315   HD13  ILE  44          2HD1      ILE  44  -3.997  -2.045   4.643
  316    H    LYS  45           H        LYS  45  -7.712  -5.454   6.116
  317    HA   LYS  45           HA       LYS  45  -7.371  -7.518   4.151
  318    HB2  LYS  45           2HB      LYS  45  -9.474  -7.068   6.257
  319    HB3  LYS  45           1HB      LYS  45  -9.527  -8.420   5.131
  320    HG2  LYS  45           2HG      LYS  45  -7.389  -7.833   7.168
  321    HG3  LYS  45           1HG      LYS  45  -8.540  -9.172   7.175
  322    HD2  LYS  45           2HD      LYS  45  -7.529 -10.102   5.183
  323    HD3  LYS  45           1HD      LYS  45  -6.446  -8.721   5.049
  324    HE2  LYS  45           2HE      LYS  45  -5.210 -10.501   5.978
  325    HE3  LYS  45           1HE      LYS  45  -5.498  -9.335   7.263
  326    HZ1  LYS  45           3HZ      LYS  45  -7.001 -11.860   6.840
  327    HZ2  LYS  45           1HZ      LYS  45  -7.313 -10.728   8.059
  328    HZ3  LYS  45           2HZ      LYS  45  -5.850 -11.575   8.047
  329    H    LYS  46           H        LYS  46  -9.535  -4.730   4.477
  330    HA   LYS  46           HA       LYS  46 -11.028  -5.494   2.139
  331    HB2  LYS  46           2HB      LYS  46 -12.078  -3.340   2.238
  332    HB3  LYS  46           1HB      LYS  46 -11.953  -3.947   3.875
  333    HG2  LYS  46           2HG      LYS  46 -11.317  -1.805   4.236
  334    HG3  LYS  46           1HG      LYS  46  -9.738  -2.492   3.855
  335    HD2  LYS  46           2HD      LYS  46  -9.971  -0.449   2.622
  336    HD3  LYS  46           1HD      LYS  46 -10.091  -1.787   1.477
  337    HE2  LYS  46           2HE      LYS  46 -12.523  -1.598   1.489
  338    HE3  LYS  46           1HE      LYS  46 -12.430  -0.296   2.670
  339    HZ1  LYS  46           3HZ      LYS  46 -11.248   1.043   1.039
  340    HZ2  LYS  46           1HZ      LYS  46 -12.755   0.559   0.444
  341    HZ3  LYS  46           2HZ      LYS  46 -11.352  -0.209  -0.095
  342    H    VAL  47           H        VAL  47  -8.132  -3.690   2.843
  343    HA   VAL  47           HA       VAL  47  -7.710  -2.732   0.209
  344    HB   VAL  47           HB       VAL  47  -5.601  -3.312   2.299
  345   HG11  VAL  47          1HG1      VAL  47  -4.767  -2.964  -0.009
  346   HG12  VAL  47          2HG1      VAL  47  -4.247  -1.709   1.114
  347   HG13  VAL  47          3HG1      VAL  47  -5.553  -1.387  -0.022
  348   HG21  VAL  47          3HG2      VAL  47  -7.347  -1.825   3.168
  349   HG22  VAL  47          1HG2      VAL  47  -7.134  -0.764   1.776
  350   HG23  VAL  47          2HG2      VAL  47  -5.823  -0.967   2.939
  351    H    PHE  48           H        PHE  48  -6.959  -5.732   1.876
  352    HA   PHE  48           HA       PHE  48  -5.520  -7.119  -0.022
  353    HB2  PHE  48           2HB      PHE  48  -5.904  -8.359   1.891
  354    HB3  PHE  48           1HB      PHE  48  -7.592  -7.890   1.982
  355    HD1  PHE  48           2HD      PHE  48  -5.516  -9.690  -0.579
  356    HD2  PHE  48           1HD      PHE  48  -8.990  -9.683   1.882
  357    HE1  PHE  48           2HE      PHE  48  -6.187 -11.857  -1.527
  358    HE2  PHE  48           1HE      PHE  48  -9.666 -11.849   0.935
  359    HZ   PHE  48           HZ       PHE  48  -8.264 -12.940  -0.770
  360    H    GLU  49           H        GLU  49  -9.026  -6.713   0.163
  361    HA   GLU  49           HA       GLU  49  -9.572  -8.096  -2.243
  362    HB2  GLU  49           2HB      GLU  49 -11.227  -5.949  -0.897
  363    HB3  GLU  49           1HB      GLU  49 -11.806  -7.136  -2.059
  364    HG2  GLU  49           2HG      GLU  49 -11.206  -8.920  -0.451
  365    HG3  GLU  49           1HG      GLU  49 -10.781  -7.670   0.716
  366    H    ILE  50           H        ILE  50  -8.323  -4.950  -1.644
  367    HA   ILE  50           HA       ILE  50  -9.092  -3.846  -4.166
  368    HB   ILE  50           HB       ILE  50  -6.788  -2.960  -2.435
  369   HG12  ILE  50          2HG1      ILE  50  -9.649  -1.972  -2.493
  370   HG13  ILE  50          1HG1      ILE  50  -8.968  -2.988  -1.227
  371   HG21  ILE  50          1HG2      ILE  50  -6.884  -2.176  -4.825
  372   HG22  ILE  50          2HG2      ILE  50  -6.922  -0.900  -3.615
  373   HG23  ILE  50          3HG2      ILE  50  -8.407  -1.388  -4.427
  374   HD11  ILE  50          3HD1      ILE  50  -8.214  -0.165  -1.918
  375   HD12  ILE  50          1HD1      ILE  50  -7.299  -1.182  -0.806
  376   HD13  ILE  50          2HD1      ILE  50  -8.970  -0.755  -0.437
  377    H    ILE  51           H        ILE  51  -5.943  -5.268  -3.031
  378    HA   ILE  51           HA       ILE  51  -4.816  -5.122  -5.652
  379    HB   ILE  51           HB       ILE  51  -3.099  -6.851  -4.885
  380   HG12  ILE  51          2HG1      ILE  51  -4.841  -7.569  -2.958
  381   HG13  ILE  51          1HG1      ILE  51  -3.101  -7.745  -2.741
  382   HG21  ILE  51          1HG2      ILE  51  -1.869  -5.277  -3.539
  383   HG22  ILE  51          2HG2      ILE  51  -3.346  -4.387  -3.155
  384   HG23  ILE  51          3HG2      ILE  51  -2.740  -4.416  -4.811
  385   HD11  ILE  51          3HD1      ILE  51  -3.884  -6.787  -0.765
  386   HD12  ILE  51          1HD1      ILE  51  -4.920  -5.636  -1.617
  387   HD13  ILE  51          2HD1      ILE  51  -3.167  -5.452  -1.660
  388    H    ASP  52           H        ASP  52  -6.933  -7.294  -4.040
  389    HA   ASP  52           HA       ASP  52  -6.882  -9.158  -6.282
  390    HB2  ASP  52           2HB      ASP  52  -7.271  -9.868  -3.820
  391    HB3  ASP  52           1HB      ASP  52  -8.868  -9.175  -4.016
  392    H    GLN  53           H        GLN  53  -7.450  -7.100  -7.599
  393    HA   GLN  53           HA       GLN  53  -9.949  -5.829  -7.201
  394    HB2  GLN  53           2HB      GLN  53  -9.487  -4.592  -9.147
  395    HB3  GLN  53           1HB      GLN  53  -7.909  -4.934  -8.456
  396    HG2  GLN  53           2HG      GLN  53  -7.336  -5.621 -10.485
  397    HG3  GLN  53           1HG      GLN  53  -8.306  -7.056 -10.151
  398   HE21  GLN  53          1HE2      GLN  53  -8.982  -7.411 -12.213
  399   HE22  GLN  53          2HE2      GLN  53 -10.034  -6.337 -13.074
  400    H    ASP  54           H        ASP  54  -9.026  -8.721  -8.763
  401    HA   ASP  54           HA       ASP  54 -11.458  -9.002 -10.316
  402    HB2  ASP  54           2HB      ASP  54  -9.053 -10.717  -9.817
  403    HB3  ASP  54           1HB      ASP  54 -10.504 -11.428 -10.510
  404    H    LYS  55           H        LYS  55 -10.476  -9.595  -7.122
  405    HA   LYS  55           HA       LYS  55 -11.282 -10.758  -5.364
  406    HB2  LYS  55           2HB      LYS  55 -13.361  -9.493  -5.987
  407    HB3  LYS  55           1HB      LYS  55 -13.879 -10.896  -6.912
  408    HG2  LYS  55           2HG      LYS  55 -14.952 -10.837  -4.736
  409    HG3  LYS  55           1HG      LYS  55 -13.895 -12.240  -4.880
  410    HD2  LYS  55           2HD      LYS  55 -12.141 -11.000  -3.641
  411    HD3  LYS  55           1HD      LYS  55 -13.277  -9.664  -3.436
  412    HE2  LYS  55           2HE      LYS  55 -14.776 -11.068  -2.177
  413    HE3  LYS  55           1HE      LYS  55 -13.765 -12.479  -2.479
  414    HZ1  LYS  55           3HZ      LYS  55 -11.972 -11.309  -1.248
  415    HZ2  LYS  55           1HZ      LYS  55 -13.320 -11.695  -0.300
  416    HZ3  LYS  55           2HZ      LYS  55 -13.093 -10.104  -0.829
  417    H    SER  56           H        SER  56  -9.725 -12.327  -6.335
  418    HA   SER  56           HA       SER  56 -11.075 -14.796  -7.210
  419    HB2  SER  56           2HB      SER  56  -9.007 -15.252  -8.550
  420    HB3  SER  56           1HB      SER  56  -9.915 -13.845  -9.099
  421    HG   SER  56           HG       SER  56  -7.413 -13.872  -8.614
  422    H    ASP  57           H        ASP  57  -9.758 -13.540  -4.635
  423    HA   ASP  57           HA       ASP  57  -8.881 -14.363  -2.707
  424    HB2  ASP  57           2HB      ASP  57 -10.200 -16.406  -3.166
  425    HB3  ASP  57           1HB      ASP  57  -8.859 -17.047  -4.107
  426    H    PHE  58           H        PHE  58  -7.371 -14.288  -5.597
  427    HA   PHE  58           HA       PHE  58  -4.739 -14.302  -4.317
  428    HB2  PHE  58           2HB      PHE  58  -5.429 -15.577  -6.977
  429    HB3  PHE  58           1HB      PHE  58  -3.785 -15.229  -6.460
  430    HD1  PHE  58           1HD      PHE  58  -2.871 -16.396  -4.451
  431    HD2  PHE  58           2HD      PHE  58  -6.558 -17.511  -6.258
  432    HE1  PHE  58           1HE      PHE  58  -2.756 -18.582  -3.328
  433    HE2  PHE  58           2HE      PHE  58  -6.450 -19.697  -5.137
  434    HZ   PHE  58           HZ       PHE  58  -4.548 -20.235  -3.669
  435    H    VAL  59           H        VAL  59  -3.260 -12.813  -5.312
  436    HA   VAL  59           HA       VAL  59  -4.625 -10.845  -7.014
  437    HB   VAL  59           HB       VAL  59  -4.504  -9.373  -5.353
  438   HG11  VAL  59          1HG1      VAL  59  -2.693 -11.196  -3.812
  439   HG12  VAL  59          2HG1      VAL  59  -4.454 -11.254  -3.796
  440   HG13  VAL  59          3HG1      VAL  59  -3.613  -9.834  -3.175
  441   HG21  VAL  59          3HG2      VAL  59  -1.542  -9.679  -5.641
  442   HG22  VAL  59          1HG2      VAL  59  -2.308  -8.479  -4.602
  443   HG23  VAL  59          2HG2      VAL  59  -2.585  -8.441  -6.344
  444    H    GLU  60           H        GLU  60  -3.781 -11.167  -8.940
  445    HA   GLU  60           HA       GLU  60  -0.921 -11.676  -9.252
  446    HB2  GLU  60           2HB      GLU  60  -3.243 -11.845 -11.157
  447    HB3  GLU  60           1HB      GLU  60  -1.575 -12.009 -11.682
  448    HG2  GLU  60           2HG      GLU  60  -2.909 -13.750  -9.627
  449    HG3  GLU  60           1HG      GLU  60  -2.703 -14.167 -11.327
  450    H    GLU  61           H        GLU  61   0.011 -10.640 -11.380
  451    HA   GLU  61           HA       GLU  61   0.367  -7.910 -10.883
  452    HB2  GLU  61           2HB      GLU  61   2.024  -9.244 -12.057
  453    HB3  GLU  61           1HB      GLU  61   0.910  -9.500 -13.392
  454    HG2  GLU  61           2HG      GLU  61   0.969  -7.125 -13.916
  455    HG3  GLU  61           1HG      GLU  61   2.047  -6.842 -12.552
  456    H    ASP  62           H        ASP  62  -1.669  -9.539 -13.290
  457    HA   ASP  62           HA       ASP  62  -2.535  -7.240 -14.647
  458    HB2  ASP  62           2HB      ASP  62  -3.760  -9.964 -14.295
  459    HB3  ASP  62           1HB      ASP  62  -4.597  -8.697 -15.187
  460    H    GLU  63           H        GLU  63  -3.386  -8.484 -11.562
  461    HA   GLU  63           HA       GLU  63  -5.821  -6.957 -11.380
  462    HB2  GLU  63           2HB      GLU  63  -4.254  -8.563  -9.368
  463    HB3  GLU  63           1HB      GLU  63  -5.718  -7.668  -8.958
  464    HG2  GLU  63           2HG      GLU  63  -6.912  -8.932 -10.715
  465    HG3  GLU  63           1HG      GLU  63  -5.461  -9.908 -10.941
  466    H    LEU  64           H        LEU  64  -2.494  -6.704 -10.222
  467    HA   LEU  64           HA       LEU  64  -2.833  -4.354  -8.723
  468    HB2  LEU  64           2HB      LEU  64  -0.483  -5.661 -10.012
  469    HB3  LEU  64           1HB      LEU  64  -0.319  -4.034  -9.380
  470    HG   LEU  64           HG       LEU  64   0.439  -5.441  -7.667
  471   HD11  LEU  64          1HD1      LEU  64  -0.988  -4.970  -5.865
  472   HD12  LEU  64          2HD1      LEU  64  -2.417  -4.973  -6.895
  473   HD13  LEU  64          3HD1      LEU  64  -1.236  -3.669  -7.033
  474   HD21  LEU  64          3HD2      LEU  64  -0.410  -7.550  -8.538
  475   HD22  LEU  64          1HD2      LEU  64  -2.042  -7.105  -8.036
  476   HD23  LEU  64          2HD2      LEU  64  -0.785  -7.367  -6.824
  477    H    LYS  65           H        LYS  65  -2.798  -4.897 -12.088
  478    HA   LYS  65           HA       LYS  65  -1.997  -2.343 -12.944
  479    HB2  LYS  65           2HB      LYS  65  -3.073  -4.727 -14.135
  480    HB3  LYS  65           1HB      LYS  65  -3.898  -3.319 -14.784
  481    HG2  LYS  65           2HG      LYS  65  -1.951  -4.017 -16.120
  482    HG3  LYS  65           1HG      LYS  65  -1.827  -2.365 -15.518
  483    HD2  LYS  65           2HD      LYS  65  -0.276  -3.009 -13.832
  484    HD3  LYS  65           1HD      LYS  65  -0.556  -4.727 -14.143
  485    HE2  LYS  65           2HE      LYS  65   0.449  -4.526 -16.330
  486    HE3  LYS  65           1HE      LYS  65   0.636  -2.785 -16.120
  487    HZ1  LYS  65           3HZ      LYS  65   2.135  -3.244 -14.251
  488    HZ2  LYS  65           1HZ      LYS  65   2.710  -3.899 -15.702
  489    HZ3  LYS  65           2HZ      LYS  65   1.993  -4.903 -14.550
  490    H    LEU  66           H        LEU  66  -5.269  -3.682 -12.431
  491    HA   LEU  66           HA       LEU  66  -6.281  -0.932 -12.534
  492    HB2  LEU  66           2HB      LEU  66  -7.788  -3.530 -12.767
  493    HB3  LEU  66           1HB      LEU  66  -8.516  -1.936 -12.821
  494    HG   LEU  66           HG       LEU  66  -8.378  -2.411 -15.056
  495   HD11  LEU  66          1HD1      LEU  66  -7.233  -0.323 -14.724
  496   HD12  LEU  66          2HD1      LEU  66  -6.453  -1.211 -16.032
  497   HD13  LEU  66          3HD1      LEU  66  -5.706  -1.158 -14.431
  498   HD21  LEU  66          3HD2      LEU  66  -5.779  -3.833 -14.515
  499   HD22  LEU  66          1HD2      LEU  66  -6.487  -3.610 -16.116
  500   HD23  LEU  66          2HD2      LEU  66  -7.336  -4.565 -14.901
  501    H    PHE  67           H        PHE  67  -5.174  -2.869 -10.215
  502    HA   PHE  67           HA       PHE  67  -7.269  -3.008  -8.336
  503    HB2  PHE  67           2HB      PHE  67  -5.748  -3.958  -6.965
  504    HB3  PHE  67           1HB      PHE  67  -4.712  -3.950  -8.380
  505    HD1  PHE  67           2HD      PHE  67  -3.030  -2.078  -8.631
  506    HD2  PHE  67           1HD      PHE  67  -5.187  -2.764  -5.034
  507    HE1  PHE  67           2HE      PHE  67  -1.370  -0.761  -7.383
  508    HE2  PHE  67           1HE      PHE  67  -3.537  -1.446  -3.782
  509    HZ   PHE  67           HZ       PHE  67  -1.620  -0.442  -4.956
  510    H    LEU  68           H        LEU  68  -5.199  -0.457  -9.346
  511    HA   LEU  68           HA       LEU  68  -5.545   1.211  -7.070
  512    HB2  LEU  68           2HB      LEU  68  -4.855   2.226  -9.803
  513    HB3  LEU  68           1HB      LEU  68  -4.318   2.822  -8.242
  514    HG   LEU  68           HG       LEU  68  -3.376   0.207  -8.351
  515   HD11  LEU  68          1HD1      LEU  68  -2.207   0.004 -10.422
  516   HD12  LEU  68          2HD1      LEU  68  -2.780   1.581 -10.958
  517   HD13  LEU  68          3HD1      LEU  68  -3.919   0.245 -10.777
  518   HD21  LEU  68          3HD2      LEU  68  -1.198   1.243  -8.410
  519   HD22  LEU  68          1HD2      LEU  68  -2.274   2.153  -7.350
  520   HD23  LEU  68          2HD2      LEU  68  -1.906   2.762  -8.966
  521    H    GLN  69           H        GLN  69  -7.192   0.813 -10.135
  522    HA   GLN  69           HA       GLN  69  -8.919   3.050  -9.850
  523    HB2  GLN  69           2HB      GLN  69  -9.251   0.472 -11.393
  524    HB3  GLN  69           1HB      GLN  69 -10.362   1.830 -11.496
  525    HG2  GLN  69           2HG      GLN  69  -8.515   3.243 -12.310
  526    HG3  GLN  69           1HG      GLN  69  -7.456   1.832 -12.274
  527   HE21  GLN  69          1HE2      GLN  69  -7.096   1.984 -14.502
  528   HE22  GLN  69          2HE2      GLN  69  -8.296   1.505 -15.652
  529    H    ASN  70           H        ASN  70  -8.774  -0.106  -8.507
  530    HA   ASN  70           HA       ASN  70 -11.500  -0.078  -7.518
  531    HB2  ASN  70           2HB      ASN  70 -10.365  -2.209  -8.090
  532    HB3  ASN  70           1HB      ASN  70  -9.193  -1.912  -6.813
  533   HD21  ASN  70          1HD2      ASN  70  -9.765  -3.848  -5.809
  534   HD22  ASN  70          2HD2      ASN  70 -11.233  -4.007  -4.911
  535    H    PHE  71           H        PHE  71  -8.304   0.759  -6.441
  536    HA   PHE  71           HA       PHE  71  -8.932   1.199  -3.696
  537    HB2  PHE  71           2HB      PHE  71  -6.613   0.933  -4.856
  538    HB3  PHE  71           1HB      PHE  71  -6.763   2.647  -5.213
  539    HD1  PHE  71           1HD      PHE  71  -7.317   4.158  -3.108
  540    HD2  PHE  71           2HD      PHE  71  -5.543   0.294  -2.939
  541    HE1  PHE  71           1HE      PHE  71  -6.378   4.686  -0.897
  542    HE2  PHE  71           2HE      PHE  71  -4.610   0.814  -0.726
  543    HZ   PHE  71           HZ       PHE  71  -5.027   3.014   0.298
  544    H    SER  72           H        SER  72  -8.529   3.345  -6.496
  545    HA   SER  72           HA       SER  72 -10.572   5.141  -5.464
  546    HB2  SER  72           2HB      SER  72  -7.774   6.089  -6.146
  547    HB3  SER  72           1HB      SER  72  -9.143   7.130  -5.751
  548    HG   SER  72           HG       SER  72  -8.882   5.281  -3.842
  549    H    ALA  73           H        ALA  73 -11.601   6.303  -7.076
  550    HA   ALA  73           HA       ALA  73 -11.779   4.890  -9.504
  551    HB1  ALA  73           1HB      ALA  73 -13.513   6.467 -10.098
  552    HB2  ALA  73           2HB      ALA  73 -12.997   7.556  -8.809
  553    HB3  ALA  73           3HB      ALA  73 -13.685   5.982  -8.412
  554    H    GLY  74           H        GLY  74 -10.043   7.790  -8.640
  555    HA2  GLY  74           2HA      GLY  74  -9.381   8.198 -11.488
  556    HA3  GLY  74           1HA      GLY  74  -9.299   9.447 -10.255
  557    H    ALA  75           H        ALA  75  -8.069   6.119 -10.304
  558    HA   ALA  75           HA       ALA  75  -5.441   7.162  -9.530
  559    HB1  ALA  75           1HB      ALA  75  -6.423   5.506  -8.045
  560    HB2  ALA  75           2HB      ALA  75  -4.956   4.881  -8.802
  561    HB3  ALA  75           3HB      ALA  75  -6.539   4.361  -9.383
  562    H    ARG  76           H        ARG  76  -3.532   6.178 -10.455
  563    HA   ARG  76           HA       ARG  76  -3.824   5.875 -13.326
  564    HB2  ARG  76           2HB      ARG  76  -1.280   6.099 -11.710
  565    HB3  ARG  76           1HB      ARG  76  -1.458   6.321 -13.444
  566    HG2  ARG  76           2HG      ARG  76  -2.588   8.104 -11.299
  567    HG3  ARG  76           1HG      ARG  76  -1.201   8.453 -12.333
  568    HD2  ARG  76           2HD      ARG  76  -2.607   8.475 -14.288
  569    HD3  ARG  76           1HD      ARG  76  -3.997   7.958 -13.335
  570    HE   ARG  76           HE       ARG  76  -2.683  10.504 -12.706
  571   HH11  ARG  76          1HH1      ARG  76  -5.465   8.753 -13.911
  572   HH12  ARG  76          2HH1      ARG  76  -6.537  10.108 -13.776
  573   HH21  ARG  76          1HH2      ARG  76  -4.088  12.293 -12.528
  574   HH22  ARG  76          2HH2      ARG  76  -5.744  12.132 -13.017
  575    H    ALA  77           H        ALA  77  -3.179   4.061 -14.465
  576    HA   ALA  77           HA       ALA  77  -2.807   1.623 -12.964
  577    HB1  ALA  77           1HB      ALA  77  -2.753   0.521 -15.154
  578    HB2  ALA  77           2HB      ALA  77  -2.763   2.097 -15.945
  579    HB3  ALA  77           3HB      ALA  77  -4.156   1.580 -14.997
  580    H    LEU  78           H        LEU  78  -0.936   0.540 -12.666
  581    HA   LEU  78           HA       LEU  78   1.421   2.147 -12.782
  582    HB2  LEU  78           2HB      LEU  78   1.130  -0.726 -11.921
  583    HB3  LEU  78           1HB      LEU  78   2.478   0.338 -11.565
  584    HG   LEU  78           HG       LEU  78  -0.337   0.562 -10.519
  585   HD11  LEU  78          1HD1      LEU  78   2.298   0.066  -9.150
  586   HD12  LEU  78          2HD1      LEU  78   1.022  -1.121  -9.421
  587   HD13  LEU  78          3HD1      LEU  78   0.738   0.249  -8.348
  588   HD21  LEU  78          3HD2      LEU  78   1.982   2.429 -10.044
  589   HD22  LEU  78          1HD2      LEU  78   0.386   2.529  -9.303
  590   HD23  LEU  78          2HD2      LEU  78   0.569   2.788 -11.037
  591    H    SER  79           H        SER  79   3.290   1.836 -13.891
  592    HA   SER  79           HA       SER  79   2.985   0.324 -16.355
  593    HB2  SER  79           2HB      SER  79   5.016   1.730 -17.037
  594    HB3  SER  79           1HB      SER  79   3.502   2.594 -16.772
  595    HG   SER  79           HG       SER  79   4.261   3.404 -14.905
  596    H    ASP  80           H        ASP  80   5.548  -0.024 -17.177
  597    HA   ASP  80           HA       ASP  80   6.130  -2.544 -16.271
  598    HB2  ASP  80           2HB      ASP  80   8.000  -0.549 -17.535
  599    HB3  ASP  80           1HB      ASP  80   8.379  -2.253 -17.317
  600    H    ALA  81           H        ALA  81   8.190   0.245 -15.497
  601    HA   ALA  81           HA       ALA  81   9.527  -1.373 -13.584
  602    HB1  ALA  81           1HB      ALA  81  10.880   0.594 -13.097
  603    HB2  ALA  81           2HB      ALA  81   9.758   1.606 -14.005
  604    HB3  ALA  81           3HB      ALA  81  10.710   0.379 -14.839
  605    H    GLU  82           H        GLU  82   6.881   0.826 -13.508
  606    HA   GLU  82           HA       GLU  82   6.918   1.499 -10.781
  607    HB2  GLU  82           2HB      GLU  82   5.675   2.746 -12.497
  608    HB3  GLU  82           1HB      GLU  82   4.616   1.362 -12.731
  609    HG2  GLU  82           2HG      GLU  82   3.562   3.042 -11.353
  610    HG3  GLU  82           1HG      GLU  82   3.851   1.551 -10.459
  611    H    THR  83           H        THR  83   4.851  -0.851 -12.560
  612    HA   THR  83           HA       THR  83   3.733  -2.012 -10.253
  613    HB   THR  83           HB       THR  83   4.266  -3.726 -12.655
  614    HG1  THR  83           1HG      THR  83   3.592  -1.664 -13.477
  615   HG21  THR  83          3HG2      THR  83   1.879  -3.349 -10.848
  616   HG22  THR  83          1HG2      THR  83   3.038  -4.675 -10.780
  617   HG23  THR  83          2HG2      THR  83   1.981  -4.499 -12.181
  618    H    LYS  84           H        LYS  84   6.717  -2.672 -11.978
  619    HA   LYS  84           HA       LYS  84   7.396  -5.127 -10.840
  620    HB2  LYS  84           2HB      LYS  84   8.540  -4.230 -12.782
  621    HB3  LYS  84           1HB      LYS  84   9.166  -2.891 -11.833
  622    HG2  LYS  84           2HG      LYS  84  10.428  -4.521 -10.460
  623    HG3  LYS  84           1HG      LYS  84   9.879  -5.799 -11.545
  624    HD2  LYS  84           2HD      LYS  84  10.937  -4.647 -13.426
  625    HD3  LYS  84           1HD      LYS  84  11.492  -3.380 -12.336
  626    HE2  LYS  84           2HE      LYS  84  12.772  -5.069 -11.077
  627    HE3  LYS  84           1HE      LYS  84  12.264  -6.291 -12.242
  628    HZ1  LYS  84           3HZ      LYS  84  14.456  -5.461 -12.763
  629    HZ2  LYS  84           1HZ      LYS  84  13.877  -3.876 -12.844
  630    HZ3  LYS  84           2HZ      LYS  84  13.371  -5.021 -13.982
  631    H    VAL  85           H        VAL  85   8.668  -1.914  -9.923
  632    HA   VAL  85           HA       VAL  85  10.032  -2.901  -7.647
  633    HB   VAL  85           HB       VAL  85   9.180  -0.058  -8.238
  634   HG11  VAL  85          1HG1      VAL  85   9.792  -0.386  -5.895
  635   HG12  VAL  85          2HG1      VAL  85  11.000   0.585  -6.737
  636   HG13  VAL  85          3HG1      VAL  85  11.319  -1.114  -6.390
  637   HG21  VAL  85          3HG2      VAL  85  11.753  -1.500  -8.875
  638   HG22  VAL  85          1HG2      VAL  85  11.444   0.216  -9.139
  639   HG23  VAL  85          2HG2      VAL  85  10.528  -0.993 -10.039
  640    H    PHE  86           H        PHE  86   6.876  -1.407  -8.116
  641    HA   PHE  86           HA       PHE  86   6.148  -1.138  -5.428
  642    HB2  PHE  86           2HB      PHE  86   4.719  -0.027  -6.870
  643    HB3  PHE  86           1HB      PHE  86   4.637  -1.373  -7.995
  644    HD1  PHE  86           2HD      PHE  86   3.560  -0.329  -4.595
  645    HD2  PHE  86           1HD      PHE  86   2.834  -2.820  -7.963
  646    HE1  PHE  86           2HE      PHE  86   1.425  -1.044  -3.603
  647    HE2  PHE  86           1HE      PHE  86   0.707  -3.538  -6.978
  648    HZ   PHE  86           HZ       PHE  86  -0.005  -2.652  -4.795
  649    H    LEU  87           H        LEU  87   5.485  -3.841  -7.685
  650    HA   LEU  87           HA       LEU  87   4.170  -5.498  -5.864
  651    HB2  LEU  87           2HB      LEU  87   5.900  -6.172  -8.238
  652    HB3  LEU  87           1HB      LEU  87   5.068  -7.396  -7.303
  653    HG   LEU  87           HG       LEU  87   3.700  -5.149  -8.784
  654   HD11  LEU  87          1HD1      LEU  87   3.002  -6.922 -10.348
  655   HD12  LEU  87          2HD1      LEU  87   4.066  -8.051  -9.508
  656   HD13  LEU  87          3HD1      LEU  87   4.746  -6.659 -10.351
  657   HD21  LEU  87          3HD2      LEU  87   1.690  -6.595  -8.426
  658   HD22  LEU  87          1HD2      LEU  87   2.335  -5.862  -6.957
  659   HD23  LEU  87          2HD2      LEU  87   2.655  -7.558  -7.310
  660    H    LYS  88           H        LYS  88   7.599  -5.340  -6.716
  661    HA   LYS  88           HA       LYS  88   8.383  -7.460  -5.043
  662    HB2  LYS  88           2HB      LYS  88   9.951  -5.270  -6.387
  663    HB3  LYS  88           1HB      LYS  88  10.712  -6.548  -5.440
  664    HG2  LYS  88           2HG      LYS  88   8.890  -7.109  -7.759
  665    HG3  LYS  88           1HG      LYS  88  10.642  -6.928  -7.916
  666    HD2  LYS  88           2HD      LYS  88  11.000  -8.744  -6.365
  667    HD3  LYS  88           1HD      LYS  88   9.265  -8.899  -6.096
  668    HE2  LYS  88           2HE      LYS  88  10.570  -9.257  -8.785
  669    HE3  LYS  88           1HE      LYS  88  10.259 -10.586  -7.669
  670    HZ1  LYS  88           3HZ      LYS  88   7.918 -10.166  -7.791
  671    HZ2  LYS  88           1HZ      LYS  88   8.517 -10.290  -9.372
  672    HZ3  LYS  88           2HZ      LYS  88   8.158  -8.774  -8.729
  673    H    ALA  89           H        ALA  89   7.669  -4.200  -4.276
  674    HA   ALA  89           HA       ALA  89   9.183  -3.770  -1.984
  675    HB1  ALA  89           1HB      ALA  89   7.508  -2.168  -2.967
  676    HB2  ALA  89           2HB      ALA  89   7.449  -2.320  -1.210
  677    HB3  ALA  89           3HB      ALA  89   6.241  -3.134  -2.203
  678    H    GLY  90           H        GLY  90   6.352  -5.772  -2.512
  679    HA2  GLY  90           2HA      GLY  90   6.681  -6.874   0.206
  680    HA3  GLY  90           1HA      GLY  90   5.155  -6.846  -0.668
  681    H    ASP  91           H        ASP  91   6.031  -7.695  -3.172
  682    HA   ASP  91           HA       ASP  91   5.945 -10.495  -2.916
  683    HB2  ASP  91           2HB      ASP  91   5.237  -9.257  -4.945
  684    HB3  ASP  91           1HB      ASP  91   6.926  -8.888  -5.290
  685    H    SER  92           H        SER  92   7.539 -11.332  -1.667
  686    HA   SER  92           HA       SER  92  10.328 -10.625  -2.212
  687    HB2  SER  92           2HB      SER  92   9.187 -12.283   0.048
  688    HB3  SER  92           1HB      SER  92  10.809 -11.597  -0.052
  689    HG   SER  92           HG       SER  92   8.495  -9.967  -0.150
  690    H    ASP  93           H        ASP  93   8.018 -13.190  -2.440
  691    HA   ASP  93           HA       ASP  93  10.024 -15.212  -2.925
  692    HB2  ASP  93           2HB      ASP  93   8.018 -16.669  -3.448
  693    HB3  ASP  93           1HB      ASP  93   8.127 -16.047  -1.810
  694    H    GLY  94           H        GLY  94   8.609 -12.817  -4.726
  695    HA2  GLY  94           2HA      GLY  94   8.991 -12.200  -6.898
  696    HA3  GLY  94           1HA      GLY  94  10.132 -13.530  -6.999
  697    H    ASP  95           H        ASP  95   6.614 -13.541  -6.441
  698    HA   ASP  95           HA       ASP  95   6.437 -15.296  -8.783
  699    HB2  ASP  95           2HB      ASP  95   4.345 -16.212  -7.778
  700    HB3  ASP  95           1HB      ASP  95   5.807 -16.555  -6.875
  701    H    GLY  96           H        GLY  96   6.213 -12.270  -8.484
  702    HA2  GLY  96           2HA      GLY  96   5.224 -10.686  -9.825
  703    HA3  GLY  96           1HA      GLY  96   4.546 -12.015 -10.750
  704    H    LYS  97           H        LYS  97   3.943 -11.544  -7.365
  705    HA   LYS  97           HA       LYS  97   1.209 -10.592  -7.864
  706    HB2  LYS  97           2HB      LYS  97   0.185 -12.502  -7.142
  707    HB3  LYS  97           1HB      LYS  97   1.670 -13.275  -7.679
  708    HG2  LYS  97           2HG      LYS  97   2.541 -12.920  -5.301
  709    HG3  LYS  97           1HG      LYS  97   0.868 -12.520  -4.886
  710    HD2  LYS  97           2HD      LYS  97   1.874 -15.126  -6.013
  711    HD3  LYS  97           1HD      LYS  97   1.242 -14.835  -4.394
  712    HE2  LYS  97           2HE      LYS  97  -0.943 -14.270  -5.386
  713    HE3  LYS  97           1HE      LYS  97  -0.296 -14.652  -6.978
  714    HZ1  LYS  97           3HZ      LYS  97  -0.614 -16.524  -4.702
  715    HZ2  LYS  97           1HZ      LYS  97   0.161 -16.912  -6.155
  716    HZ3  LYS  97           2HZ      LYS  97  -1.485 -16.531  -6.152
  717    H    ILE  98           H        ILE  98   0.158 -10.030  -5.803
  718    HA   ILE  98           HA       ILE  98   2.164  -9.436  -3.747
  719    HB   ILE  98           HB       ILE  98  -0.539  -8.226  -4.281
  720   HG12  ILE  98          2HG1      ILE  98   1.283  -7.320  -5.617
  721   HG13  ILE  98          1HG1      ILE  98   0.751  -6.128  -4.435
  722   HG21  ILE  98          1HG2      ILE  98  -0.344  -8.546  -1.895
  723   HG22  ILE  98          2HG2      ILE  98  -0.198  -6.835  -2.297
  724   HG23  ILE  98          3HG2      ILE  98   1.243  -7.775  -1.904
  725   HD11  ILE  98          3HD1      ILE  98   3.101  -6.053  -4.463
  726   HD12  ILE  98          1HD1      ILE  98   3.236  -7.809  -4.374
  727   HD13  ILE  98          2HD1      ILE  98   2.654  -6.895  -2.984
  728    H    GLY  99           H        GLY  99   2.250 -11.444  -2.737
  729    HA2  GLY  99           2HA      GLY  99  -0.003 -12.770  -1.676
  730    HA3  GLY  99           1HA      GLY  99   1.612 -12.769  -0.952
  731    H    VAL 100           H        VAL 100  -1.204 -12.295   0.224
  732    HA   VAL 100           HA       VAL 100  -1.297  -9.480   0.640
  733    HB   VAL 100           HB       VAL 100  -2.822 -10.792   2.622
  734   HG11  VAL 100          1HG1      VAL 100  -4.663  -9.719   1.358
  735   HG12  VAL 100          2HG1      VAL 100  -3.514  -9.348   0.067
  736   HG13  VAL 100          3HG1      VAL 100  -3.311  -8.629   1.670
  737   HG21  VAL 100          3HG2      VAL 100  -4.342 -12.104   1.177
  738   HG22  VAL 100          1HG2      VAL 100  -2.738 -12.821   1.316
  739   HG23  VAL 100          2HG2      VAL 100  -3.186 -11.934  -0.142
  740    H    ASP 101           H        ASP 101   0.258 -12.073   2.173
  741    HA   ASP 101           HA       ASP 101   0.817 -10.647   4.608
  742    HB2  ASP 101           2HB      ASP 101   2.156 -12.547   5.196
  743    HB3  ASP 101           1HB      ASP 101   0.692 -13.142   4.407
  744    H    GLU 102           H        GLU 102   2.365 -11.295   1.511
  745    HA   GLU 102           HA       GLU 102   4.762  -9.876   1.930
  746    HB2  GLU 102           2HB      GLU 102   3.197 -10.010  -0.677
  747    HB3  GLU 102           1HB      GLU 102   4.925  -9.729  -0.489
  748    HG2  GLU 102           2HG      GLU 102   4.933 -12.085   0.607
  749    HG3  GLU 102           1HG      GLU 102   3.384 -12.276  -0.206
  750    H    PHE 103           H        PHE 103   1.525  -8.943   1.034
  751    HA   PHE 103           HA       PHE 103   1.928  -6.249   0.383
  752    HB2  PHE 103           2HB      PHE 103  -0.116  -7.673  -0.044
  753    HB3  PHE 103           1HB      PHE 103  -0.544  -7.439   1.644
  754    HD1  PHE 103           2HD      PHE 103   0.673  -5.182  -1.070
  755    HD2  PHE 103           1HD      PHE 103  -2.290  -5.997   1.871
  756    HE1  PHE 103           2HE      PHE 103  -0.488  -3.100  -1.674
  757    HE2  PHE 103           1HE      PHE 103  -3.457  -3.920   1.273
  758    HZ   PHE 103           HZ       PHE 103  -2.556  -2.467  -0.504
  759    H    GLY 104           H        GLY 104   0.797  -7.686   3.454
  760    HA2  GLY 104           2HA      GLY 104   0.657  -5.338   4.940
  761    HA3  GLY 104           1HA      GLY 104   0.989  -6.926   5.618
  762    H    ALA 105           H        ALA 105   3.431  -7.347   4.170
  763    HA   ALA 105           HA       ALA 105   5.245  -6.069   5.941
  764    HB1  ALA 105           1HB      ALA 105   5.812  -7.642   3.429
  765    HB2  ALA 105           2HB      ALA 105   5.628  -8.316   5.049
  766    HB3  ALA 105           3HB      ALA 105   6.978  -7.240   4.689
  767    H    MET 106           H        MET 106   4.532  -5.603   2.471
  768    HA   MET 106           HA       MET 106   6.614  -3.715   2.055
  769    HB2  MET 106           2HB      MET 106   5.570  -3.227  -0.059
  770    HB3  MET 106           1HB      MET 106   5.538  -4.963   0.209
  771    HG2  MET 106           2HG      MET 106   3.171  -4.428   1.181
  772    HG3  MET 106           1HG      MET 106   3.307  -2.999   0.172
  773    HE1  MET 106           3HE      MET 106   2.907  -4.251  -3.365
  774    HE2  MET 106           1HE      MET 106   4.378  -3.633  -2.610
  775    HE3  MET 106           2HE      MET 106   2.814  -2.915  -2.220
  776    H    ILE 107           H        ILE 107   3.340  -3.426   3.208
  777    HA   ILE 107           HA       ILE 107   3.146  -0.604   2.737
  778    HB   ILE 107           HB       ILE 107   1.477  -2.371   4.551
  779   HG12  ILE 107          2HG1      ILE 107   0.902  -1.386   1.748
  780   HG13  ILE 107          1HG1      ILE 107   1.436  -3.018   2.146
  781   HG21  ILE 107          1HG2      ILE 107   0.919   0.384   3.460
  782   HG22  ILE 107          2HG2      ILE 107   1.364   0.006   5.124
  783   HG23  ILE 107          3HG2      ILE 107  -0.162  -0.581   4.465
  784   HD11  ILE 107          3HD1      ILE 107  -0.960  -2.930   1.805
  785   HD12  ILE 107          1HD1      ILE 107  -1.107  -1.720   3.079
  786   HD13  ILE 107          2HD1      ILE 107  -0.574  -3.354   3.473
  787    H    LYS 108           H        LYS 108   3.959  -2.734   5.361
  788    HA   LYS 108           HA       LYS 108   4.090  -0.669   7.344
  789    HB2  LYS 108           2HB      LYS 108   3.451  -3.033   7.789
  790    HB3  LYS 108           1HB      LYS 108   5.096  -3.529   7.422
  791    HG2  LYS 108           2HG      LYS 108   4.426  -1.589   9.625
  792    HG3  LYS 108           1HG      LYS 108   4.458  -3.333   9.868
  793    HD2  LYS 108           2HD      LYS 108   6.814  -1.954   8.665
  794    HD3  LYS 108           1HD      LYS 108   6.562  -1.876  10.410
  795    HE2  LYS 108           2HE      LYS 108   7.982  -3.708  10.111
  796    HE3  LYS 108           1HE      LYS 108   6.388  -4.428  10.306
  797    HZ1  LYS 108           3HZ      LYS 108   7.749  -3.950   7.705
  798    HZ2  LYS 108           1HZ      LYS 108   6.243  -4.701   7.924
  799    HZ3  LYS 108           2HZ      LYS 108   7.647  -5.442   8.501
  800    H    ALA 109           H        ALA 109   6.261  -2.243   5.124
  801    HA   ALA 109           HA       ALA 109   8.471  -2.063   4.668
  802    HB1  ALA 109           1HB      ALA 109   8.180   0.614   6.034
  803    HB2  ALA 109           2HB      ALA 109   7.972   0.289   4.314
  804    HB3  ALA 109           3HB      ALA 109   9.560   0.110   5.059
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1 -18.027  14.089   0.420
    2    H2   MET   1           2HT      MET   1 -17.657  13.677  -1.176
    3    H3   MET   1           3HT      MET   1 -16.414  13.972  -0.075
    4    HA   MET   1           HA       MET   1 -17.068  12.051   1.218
    5    HB2  MET   1           2HB      MET   1 -19.066  11.695  -1.024
    6    HB3  MET   1           1HB      MET   1 -18.669  10.447   0.147
    7    HG2  MET   1           2HG      MET   1 -19.471  11.894   1.950
    8    HG3  MET   1           1HG      MET   1 -19.892  13.125   0.763
    9    HE1  MET   1           2HE      MET   1 -21.945   9.002   1.090
   10    HE2  MET   1           3HE      MET   1 -20.670   9.562   2.171
   11    HE3  MET   1           1HE      MET   1 -20.301   9.195   0.485
   12    H    ALA   2           H        ALA   2 -15.059  11.342   0.874
   13    HA   ALA   2           HA       ALA   2 -14.156  10.731  -1.819
   14    HB1  ALA   2           1HB      ALA   2 -12.661  10.657   0.798
   15    HB2  ALA   2           2HB      ALA   2 -12.701  12.014  -0.328
   16    HB3  ALA   2           3HB      ALA   2 -11.953  10.491  -0.808
   17    H    PHE   3           H        PHE   3 -15.584   8.911  -2.095
   18    HA   PHE   3           HA       PHE   3 -15.937   6.693  -2.356
   19    HB2  PHE   3           2HB      PHE   3 -13.182   6.390  -1.142
   20    HB3  PHE   3           1HB      PHE   3 -14.086   5.112  -1.948
   21    HD1  PHE   3           2HD      PHE   3 -14.653   5.396  -4.388
   22    HD2  PHE   3           1HD      PHE   3 -11.867   7.890  -2.358
   23    HE1  PHE   3           2HE      PHE   3 -13.699   6.084  -6.549
   24    HE2  PHE   3           1HE      PHE   3 -10.911   8.583  -4.512
   25    HZ   PHE   3           HZ       PHE   3 -11.825   7.680  -6.611
   26    H    ALA   4           H        ALA   4 -14.005   6.409   0.593
   27    HA   ALA   4           HA       ALA   4 -16.437   5.518   1.997
   28    HB1  ALA   4           1HB      ALA   4 -13.648   4.402   2.275
   29    HB2  ALA   4           2HB      ALA   4 -15.019   3.604   1.502
   30    HB3  ALA   4           3HB      ALA   4 -15.045   3.920   3.236
   31    H    GLY   5           H        GLY   5 -13.935   7.734   1.857
   32    HA2  GLY   5           2HA      GLY   5 -13.477   9.513   3.262
   33    HA3  GLY   5           1HA      GLY   5 -14.587   8.830   4.448
   34    H    ILE   6           H        ILE   6 -13.107   6.214   4.253
   35    HA   ILE   6           HA       ILE   6 -11.217   6.451   6.289
   36    HB   ILE   6           HB       ILE   6 -11.342   4.391   4.072
   37   HG12  ILE   6          2HG1      ILE   6 -12.451   4.309   6.887
   38   HG13  ILE   6          1HG1      ILE   6 -13.403   4.561   5.428
   39   HG21  ILE   6          1HG2      ILE   6  -9.890   4.313   6.711
   40   HG22  ILE   6          2HG2      ILE   6  -9.162   4.345   5.107
   41   HG23  ILE   6          3HG2      ILE   6 -10.089   2.938   5.627
   42   HD11  ILE   6          3HD1      ILE   6 -12.791   2.340   4.637
   43   HD12  ILE   6          1HD1      ILE   6 -13.569   2.269   6.219
   44   HD13  ILE   6          2HD1      ILE   6 -11.819   2.087   6.088
   45    H    LEU   7           H        LEU   7 -10.966   6.743   2.837
   46    HA   LEU   7           HA       LEU   7  -8.291   7.859   3.155
   47    HB2  LEU   7           2HB      LEU   7  -7.549   6.914   1.061
   48    HB3  LEU   7           1HB      LEU   7  -8.028   5.644   2.160
   49    HG   LEU   7           HG       LEU   7  -8.702   4.965   0.004
   50   HD11  LEU   7          1HD1      LEU   7 -11.228   6.047   1.203
   51   HD12  LEU   7          2HD1      LEU   7 -10.392   4.602   1.769
   52   HD13  LEU   7          3HD1      LEU   7 -11.046   4.658   0.133
   53   HD21  LEU   7          3HD2      LEU   7 -10.003   7.648  -0.377
   54   HD22  LEU   7          1HD2      LEU   7 -10.105   6.290  -1.498
   55   HD23  LEU   7          2HD2      LEU   7  -8.548   7.054  -1.178
   56    H    ASN   8           H        ASN   8  -7.725   9.438   1.554
   57    HA   ASN   8           HA       ASN   8 -10.102  10.881   0.601
   58    HB2  ASN   8           2HB      ASN   8  -7.259  11.828   1.060
   59    HB3  ASN   8           1HB      ASN   8  -8.560  12.831   0.429
   60   HD21  ASN   8          1HD2      ASN   8 -10.515  11.510   2.242
   61   HD22  ASN   8          2HD2      ASN   8 -10.231  12.224   3.789
   62    H    ASP   9           H        ASP   9 -10.407  11.210  -1.523
   63    HA   ASP   9           HA       ASP   9  -9.078   9.732  -3.488
   64    HB2  ASP   9           2HB      ASP   9 -11.304  10.627  -3.878
   65    HB3  ASP   9           1HB      ASP   9 -10.708  12.274  -3.726
   66    H    ALA  10           H        ALA  10  -8.546  12.891  -2.170
   67    HA   ALA  10           HA       ALA  10  -6.731  13.852  -4.125
   68    HB1  ALA  10           1HB      ALA  10  -7.953  15.357  -2.687
   69    HB2  ALA  10           2HB      ALA  10  -6.222  15.570  -2.418
   70    HB3  ALA  10           3HB      ALA  10  -7.193  14.661  -1.257
   71    H    ASP  11           H        ASP  11  -6.281  12.094  -1.065
   72    HA   ASP  11           HA       ASP  11  -3.457  12.609  -1.057
   73    HB2  ASP  11           2HB      ASP  11  -3.410  11.722   1.070
   74    HB3  ASP  11           1HB      ASP  11  -5.086  12.222   0.949
   75    H    ILE  12           H        ILE  12  -5.501   9.824  -1.614
   76    HA   ILE  12           HA       ILE  12  -3.536   8.011  -2.408
   77    HB   ILE  12           HB       ILE  12  -6.425   8.337  -2.991
   78   HG12  ILE  12          2HG1      ILE  12  -6.504   6.021  -2.158
   79   HG13  ILE  12          1HG1      ILE  12  -4.747   5.985  -2.089
   80   HG21  ILE  12          1HG2      ILE  12  -5.612   7.830  -5.218
   81   HG22  ILE  12          2HG2      ILE  12  -6.437   6.421  -4.550
   82   HG23  ILE  12          3HG2      ILE  12  -4.676   6.471  -4.595
   83   HD11  ILE  12          3HD1      ILE  12  -4.760   7.693  -0.376
   84   HD12  ILE  12          1HD1      ILE  12  -5.754   6.318   0.102
   85   HD13  ILE  12          2HD1      ILE  12  -6.517   7.799  -0.476
   86    H    THR  13           H        THR  13  -5.403  10.249  -4.478
   87    HA   THR  13           HA       THR  13  -4.104   9.726  -6.872
   88    HB   THR  13           HB       THR  13  -5.358  12.304  -5.919
   89    HG1  THR  13           1HG      THR  13  -7.018  10.959  -6.066
   90   HG21  THR  13          3HG2      THR  13  -5.548  12.908  -8.271
   91   HG22  THR  13          1HG2      THR  13  -4.674  11.445  -8.731
   92   HG23  THR  13          2HG2      THR  13  -3.858  12.710  -7.813
   93    H    ALA  14           H        ALA  14  -3.146  11.819  -4.207
   94    HA   ALA  14           HA       ALA  14  -1.092  13.249  -5.449
   95    HB1  ALA  14           1HB      ALA  14  -1.931  13.748  -3.193
   96    HB2  ALA  14           2HB      ALA  14  -0.177  13.584  -3.223
   97    HB3  ALA  14           3HB      ALA  14  -1.174  12.272  -2.595
   98    H    ALA  15           H        ALA  15  -1.049  10.085  -3.851
   99    HA   ALA  15           HA       ALA  15   1.717   9.594  -4.260
  100    HB1  ALA  15           1HB      ALA  15   0.375   8.413  -2.579
  101    HB2  ALA  15           2HB      ALA  15   1.211   7.299  -3.660
  102    HB3  ALA  15           3HB      ALA  15  -0.513   7.605  -3.872
  103    H    LEU  16           H        LEU  16  -1.184   8.776  -6.101
  104    HA   LEU  16           HA       LEU  16   0.022   7.161  -8.057
  105    HB2  LEU  16           2HB      LEU  16  -2.488   8.767  -7.925
  106    HB3  LEU  16           1HB      LEU  16  -1.988   8.116  -9.471
  107    HG   LEU  16           HG       LEU  16  -3.626   6.672  -8.400
  108   HD11  LEU  16          1HD1      LEU  16  -2.429   4.573  -8.545
  109   HD12  LEU  16          2HD1      LEU  16  -0.888   5.418  -8.412
  110   HD13  LEU  16          3HD1      LEU  16  -1.910   5.666  -9.826
  111   HD21  LEU  16          3HD2      LEU  16  -1.610   6.377  -6.184
  112   HD22  LEU  16          1HD2      LEU  16  -3.115   5.469  -6.346
  113   HD23  LEU  16          2HD2      LEU  16  -3.161   7.213  -6.077
  114    H    ALA  17           H        ALA  17  -0.454  10.645  -7.879
  115    HA   ALA  17           HA       ALA  17   0.582  11.174 -10.492
  116    HB1  ALA  17           1HB      ALA  17   0.222  13.030  -8.141
  117    HB2  ALA  17           2HB      ALA  17  -0.980  12.698  -9.388
  118    HB3  ALA  17           3HB      ALA  17   0.524  13.515  -9.808
  119    H    ALA  18           H        ALA  18   1.948  10.728  -7.342
  120    HA   ALA  18           HA       ALA  18   4.458  11.993  -7.915
  121    HB1  ALA  18           1HB      ALA  18   3.720  10.038  -5.742
  122    HB2  ALA  18           2HB      ALA  18   3.649  11.793  -5.621
  123    HB3  ALA  18           3HB      ALA  18   5.203  10.986  -5.815
  124    H    CYS  19           H        CYS  19   3.230   8.686  -7.817
  125    HA   CYS  19           HA       CYS  19   5.722   7.617  -8.864
  126    HB2  CYS  19           2HB      CYS  19   3.074   6.265  -8.281
  127    HB3  CYS  19           1HB      CYS  19   4.562   5.438  -8.727
  128    HG   CYS  19           HG       CYS  19   4.877   7.429  -6.056
  129    H    LYS  20           H        LYS  20   4.830   9.451 -10.584
  130    HA   LYS  20           HA       LYS  20   2.905   8.641 -12.459
  131    HB2  LYS  20           2HB      LYS  20   3.812  10.521 -13.788
  132    HB3  LYS  20           1HB      LYS  20   3.433  10.961 -12.136
  133    HG2  LYS  20           2HG      LYS  20   5.793  10.837 -11.552
  134    HG3  LYS  20           1HG      LYS  20   6.185  10.354 -13.203
  135    HD2  LYS  20           2HD      LYS  20   5.309  12.487 -14.027
  136    HD3  LYS  20           1HD      LYS  20   4.921  12.965 -12.375
  137    HE2  LYS  20           2HE      LYS  20   7.680  12.363 -13.438
  138    HE3  LYS  20           1HE      LYS  20   7.018  13.969 -13.150
  139    HZ1  LYS  20           3HZ      LYS  20   7.640  11.893 -11.128
  140    HZ2  LYS  20           1HZ      LYS  20   6.769  13.303 -10.781
  141    HZ3  LYS  20           2HZ      LYS  20   8.367  13.408 -11.311
  142    H    ALA  21           H        ALA  21   6.422   8.229 -12.384
  143    HA   ALA  21           HA       ALA  21   6.336   6.236 -14.421
  144    HB1  ALA  21           1HB      ALA  21   7.608   7.413 -16.130
  145    HB2  ALA  21           2HB      ALA  21   7.577   8.882 -15.154
  146    HB3  ALA  21           3HB      ALA  21   6.078   8.231 -15.815
  147    H    GLU  22           H        GLU  22   8.992   6.659 -15.374
  148    HA   GLU  22           HA       GLU  22  10.472   5.159 -13.608
  149    HB2  GLU  22           2HB      GLU  22  11.476   7.094 -15.698
  150    HB3  GLU  22           1HB      GLU  22  12.441   5.835 -14.938
  151    HG2  GLU  22           2HG      GLU  22  10.005   5.405 -16.643
  152    HG3  GLU  22           1HG      GLU  22  11.677   5.159 -17.144
  153    H    GLY  23           H        GLY  23  11.746   5.509 -11.927
  154    HA2  GLY  23           2HA      GLY  23  12.958   6.590 -10.301
  155    HA3  GLY  23           1HA      GLY  23  12.970   8.012 -11.327
  156    H    SER  24           H        SER  24   9.816   7.387 -11.132
  157    HA   SER  24           HA       SER  24   9.504   9.277  -8.921
  158    HB2  SER  24           2HB      SER  24   7.555   8.454 -11.079
  159    HB3  SER  24           1HB      SER  24   7.287   9.718  -9.880
  160    HG   SER  24           HG       SER  24   9.613  10.194 -11.074
  161    H    PHE  25           H        PHE  25   8.712   6.023  -9.874
  162    HA   PHE  25           HA       PHE  25   6.641   5.630  -7.977
  163    HB2  PHE  25           2HB      PHE  25   7.277   3.133  -8.331
  164    HB3  PHE  25           1HB      PHE  25   6.524   4.039  -9.642
  165    HD1  PHE  25           2HD      PHE  25   9.834   2.911  -8.365
  166    HD2  PHE  25           1HD      PHE  25   7.539   4.144 -11.726
  167    HE1  PHE  25           2HE      PHE  25  11.681   2.270  -9.858
  168    HE2  PHE  25           1HE      PHE  25   9.375   3.498 -13.224
  169    HZ   PHE  25           HZ       PHE  25  11.451   2.559 -12.290
  170    H    ASP  26           H        ASP  26   6.820   5.618  -5.887
  171    HA   ASP  26           HA       ASP  26   9.002   4.076  -4.703
  172    HB2  ASP  26           2HB      ASP  26   9.497   6.563  -4.572
  173    HB3  ASP  26           1HB      ASP  26   8.095   6.698  -3.513
  174    H    HIS  27           H        HIS  27   7.738   2.392  -4.182
  175    HA   HIS  27           HA       HIS  27   5.121   2.376  -3.323
  176    HB2  HIS  27           2HB      HIS  27   5.397   0.137  -2.917
  177    HB3  HIS  27           1HB      HIS  27   6.882   0.425  -3.812
  178    HD1  HIS  27           1HD      HIS  27   9.112   0.409  -2.441
  179    HD2  HIS  27           2HD      HIS  27   5.716  -0.527  -0.231
  180    HE1  HIS  27           1HE      HIS  27   9.954  -0.546  -0.276
  181    HE2  HIS  27           2HE      HIS  27   7.889  -1.012   1.098
  182    H    LYS  28           H        LYS  28   7.975   3.036  -1.499
  183    HA   LYS  28           HA       LYS  28   6.862   2.752   1.090
  184    HB2  LYS  28           2HB      LYS  28   9.284   2.739   0.468
  185    HB3  LYS  28           1HB      LYS  28   9.152   4.465   0.157
  186    HG2  LYS  28           2HG      LYS  28   8.622   4.886   2.487
  187    HG3  LYS  28           1HG      LYS  28   8.686   3.156   2.829
  188    HD2  LYS  28           2HD      LYS  28  11.046   3.118   2.171
  189    HD3  LYS  28           1HD      LYS  28  10.978   4.848   1.837
  190    HE2  LYS  28           2HE      LYS  28  10.466   3.577   4.520
  191    HE3  LYS  28           1HE      LYS  28  11.981   4.328   4.031
  192    HZ1  LYS  28           3HZ      LYS  28  10.750   6.421   3.723
  193    HZ2  LYS  28           1HZ      LYS  28  10.699   5.864   5.319
  194    HZ3  LYS  28           2HZ      LYS  28   9.354   5.676   4.319
  195    H    ALA  29           H        ALA  29   7.675   5.624  -0.851
  196    HA   ALA  29           HA       ALA  29   6.413   7.558   0.669
  197    HB1  ALA  29           1HB      ALA  29   6.271   8.875  -1.373
  198    HB2  ALA  29           2HB      ALA  29   6.564   7.431  -2.340
  199    HB3  ALA  29           3HB      ALA  29   7.825   8.048  -1.274
  200    H    PHE  30           H        PHE  30   5.069   5.341  -1.722
  201    HA   PHE  30           HA       PHE  30   2.490   6.361  -1.908
  202    HB2  PHE  30           2HB      PHE  30   3.317   4.569  -3.358
  203    HB3  PHE  30           1HB      PHE  30   3.387   3.467  -1.989
  204    HD1  PHE  30           1HD      PHE  30   1.151   5.279  -4.276
  205    HD2  PHE  30           2HD      PHE  30   1.425   2.364  -1.187
  206    HE1  PHE  30           1HE      PHE  30  -1.157   4.563  -4.748
  207    HE2  PHE  30           2HE      PHE  30  -0.879   1.645  -1.653
  208    HZ   PHE  30           HZ       PHE  30  -2.174   2.745  -3.436
  209    H    PHE  31           H        PHE  31   3.612   3.750   0.309
  210    HA   PHE  31           HA       PHE  31   1.101   3.492   1.564
  211    HB2  PHE  31           2HB      PHE  31   2.086   1.970   3.061
  212    HB3  PHE  31           1HB      PHE  31   3.000   1.809   1.591
  213    HD1  PHE  31           1HD      PHE  31   3.237   3.679   4.812
  214    HD2  PHE  31           2HD      PHE  31   5.207   1.553   1.704
  215    HE1  PHE  31           1HE      PHE  31   5.346   3.805   6.068
  216    HE2  PHE  31           2HE      PHE  31   7.321   1.691   2.944
  217    HZ   PHE  31           HZ       PHE  31   7.393   2.815   5.129
  218    H    THR  32           H        THR  32   3.838   5.503   2.261
  219    HA   THR  32           HA       THR  32   2.813   6.133   4.875
  220    HB   THR  32           HB       THR  32   5.176   5.626   4.428
  221    HG1  THR  32           1HG      THR  32   4.408   8.111   5.624
  222   HG21  THR  32          3HG2      THR  32   6.614   7.470   3.547
  223   HG22  THR  32          1HG2      THR  32   5.154   8.333   3.065
  224   HG23  THR  32          2HG2      THR  32   5.541   6.773   2.335
  225    H    LYS  33           H        LYS  33   2.738   7.509   1.738
  226    HA   LYS  33           HA       LYS  33   2.103  10.173   2.632
  227    HB2  LYS  33           2HB      LYS  33   3.208   9.717   0.483
  228    HB3  LYS  33           1HB      LYS  33   1.775   8.875  -0.074
  229    HG2  LYS  33           2HG      LYS  33   0.496  10.907  -0.045
  230    HG3  LYS  33           1HG      LYS  33   1.844  11.788   0.682
  231    HD2  LYS  33           2HD      LYS  33   1.972  10.420  -2.005
  232    HD3  LYS  33           1HD      LYS  33   1.598  12.134  -1.787
  233    HE2  LYS  33           2HE      LYS  33   3.760  12.465  -0.696
  234    HE3  LYS  33           1HE      LYS  33   4.128  10.755  -0.891
  235    HZ1  LYS  33           3HZ      LYS  33   4.073  11.041  -3.278
  236    HZ2  LYS  33           1HZ      LYS  33   5.190  12.106  -2.585
  237    HZ3  LYS  33           2HZ      LYS  33   3.687  12.678  -3.103
  238    H    VAL  34           H        VAL  34   0.307   7.387   1.344
  239    HA   VAL  34           HA       VAL  34  -2.218   8.707   1.603
  240    HB   VAL  34           HB       VAL  34  -3.159   6.662   0.841
  241   HG11  VAL  34          1HG1      VAL  34  -0.550   7.103  -0.569
  242   HG12  VAL  34          2HG1      VAL  34  -2.039   8.008  -0.843
  243   HG13  VAL  34          3HG1      VAL  34  -1.963   6.290  -1.242
  244   HG21  VAL  34          3HG2      VAL  34  -1.950   5.101   2.249
  245   HG22  VAL  34          1HG2      VAL  34  -0.489   5.367   1.301
  246   HG23  VAL  34          2HG2      VAL  34  -1.892   4.596   0.560
  247    H    GLY  35           H        GLY  35  -0.142   7.486   3.820
  248    HA2  GLY  35           2HA      GLY  35  -0.349   7.028   6.056
  249    HA3  GLY  35           1HA      GLY  35  -2.012   7.577   5.934
  250    H    LEU  36           H        LEU  36  -0.623   4.909   4.104
  251    HA   LEU  36           HA       LEU  36  -2.781   3.210   4.939
  252    HB2  LEU  36           2HB      LEU  36  -1.561   3.272   2.658
  253    HB3  LEU  36           1HB      LEU  36  -0.357   2.273   3.447
  254    HG   LEU  36           HG       LEU  36  -2.243   0.674   4.016
  255   HD11  LEU  36          1HD1      LEU  36  -3.669   2.415   2.017
  256   HD12  LEU  36          2HD1      LEU  36  -4.128   2.120   3.694
  257   HD13  LEU  36          3HD1      LEU  36  -4.206   0.814   2.514
  258   HD21  LEU  36          3HD2      LEU  36  -0.604   0.241   2.265
  259   HD22  LEU  36          1HD2      LEU  36  -1.592   1.137   1.109
  260   HD23  LEU  36          2HD2      LEU  36  -2.198  -0.361   1.816
  261    H    ALA  37           H        ALA  37   0.598   3.576   5.735
  262    HA   ALA  37           HA       ALA  37   0.944   1.094   7.075
  263    HB1  ALA  37           1HB      ALA  37   2.821   2.448   6.251
  264    HB2  ALA  37           2HB      ALA  37   2.982   2.073   7.967
  265    HB3  ALA  37           3HB      ALA  37   2.461   3.677   7.460
  266    H    ALA  38           H        ALA  38  -0.567   4.057   7.949
  267    HA   ALA  38           HA       ALA  38  -0.547   3.440  10.799
  268    HB1  ALA  38           1HB      ALA  38  -0.171   5.752  10.114
  269    HB2  ALA  38           2HB      ALA  38  -1.647   5.606  11.069
  270    HB3  ALA  38           3HB      ALA  38  -1.743   5.778   9.316
  271    H    LYS  39           H        LYS  39  -2.361   2.585   8.153
  272    HA   LYS  39           HA       LYS  39  -4.997   2.744   9.243
  273    HB2  LYS  39           2HB      LYS  39  -3.856   1.117   6.967
  274    HB3  LYS  39           1HB      LYS  39  -5.564   1.155   7.381
  275    HG2  LYS  39           2HG      LYS  39  -3.963   3.592   6.637
  276    HG3  LYS  39           1HG      LYS  39  -4.907   2.639   5.491
  277    HD2  LYS  39           2HD      LYS  39  -6.937   3.095   6.791
  278    HD3  LYS  39           1HD      LYS  39  -5.990   4.051   7.931
  279    HE2  LYS  39           2HE      LYS  39  -6.197   4.661   4.988
  280    HE3  LYS  39           1HE      LYS  39  -7.230   5.388   6.216
  281    HZ1  LYS  39           3HZ      LYS  39  -5.310   6.777   5.601
  282    HZ2  LYS  39           1HZ      LYS  39  -4.266   5.584   6.198
  283    HZ3  LYS  39           2HZ      LYS  39  -5.329   6.378   7.243
  284    H    SER  40           H        SER  40  -6.233   1.137  10.164
  285    HA   SER  40           HA       SER  40  -4.805  -0.743  11.776
  286    HB2  SER  40           2HB      SER  40  -7.793  -0.425  11.397
  287    HB3  SER  40           1HB      SER  40  -6.986  -1.254  12.728
  288    HG   SER  40           HG       SER  40  -7.225   0.665  13.608
  289    HA   PRO  41           HA       PRO  41  -4.743  -4.550   9.570
  290    HB2  PRO  41           2HB      PRO  41  -6.662  -5.574  11.627
  291    HB3  PRO  41           1HB      PRO  41  -5.192  -6.325  10.992
  292    HG2  PRO  41           2HG      PRO  41  -5.174  -5.120  13.363
  293    HG3  PRO  41           1HG      PRO  41  -3.796  -4.971  12.258
  294    HD2  PRO  41           2HD      PRO  41  -5.866  -2.971  12.974
  295    HD3  PRO  41           1HD      PRO  41  -4.183  -2.726  12.472
  296    H    ALA  42           H        ALA  42  -8.029  -3.863  10.800
  297    HA   ALA  42           HA       ALA  42  -9.418  -5.356   8.881
  298    HB1  ALA  42           1HB      ALA  42 -11.385  -4.114   9.575
  299    HB2  ALA  42           2HB      ALA  42 -10.366  -2.907  10.358
  300    HB3  ALA  42           3HB      ALA  42 -10.411  -4.558  10.974
  301    H    ASP  43           H        ASP  43  -8.441  -1.964   8.889
  302    HA   ASP  43           HA       ASP  43  -9.781  -1.265   6.484
  303    HB2  ASP  43           2HB      ASP  43  -7.375   0.049   7.771
  304    HB3  ASP  43           1HB      ASP  43  -8.396   0.763   6.527
  305    H    ILE  44           H        ILE  44  -6.482  -2.264   7.256
  306    HA   ILE  44           HA       ILE  44  -5.567  -2.128   4.569
  307    HB   ILE  44           HB       ILE  44  -4.468  -2.968   7.153
  308   HG12  ILE  44          2HG1      ILE  44  -3.252  -1.708   4.686
  309   HG13  ILE  44          1HG1      ILE  44  -3.965  -0.833   6.037
  310   HG21  ILE  44          1HG2      ILE  44  -3.420  -4.269   4.647
  311   HG22  ILE  44          2HG2      ILE  44  -4.158  -5.086   6.025
  312   HG23  ILE  44          3HG2      ILE  44  -2.609  -4.263   6.213
  313   HD11  ILE  44          3HD1      ILE  44  -1.530  -2.594   6.156
  314   HD12  ILE  44          1HD1      ILE  44  -2.226  -1.694   7.505
  315   HD13  ILE  44          2HD1      ILE  44  -1.541  -0.830   6.128
  316    H    LYS  45           H        LYS  45  -7.334  -4.491   6.368
  317    HA   LYS  45           HA       LYS  45  -6.794  -6.772   4.803
  318    HB2  LYS  45           2HB      LYS  45  -7.905  -6.845   7.007
  319    HB3  LYS  45           1HB      LYS  45  -9.323  -6.076   6.306
  320    HG2  LYS  45           2HG      LYS  45  -9.678  -8.451   6.513
  321    HG3  LYS  45           1HG      LYS  45  -9.610  -7.994   4.812
  322    HD2  LYS  45           2HD      LYS  45  -7.188  -8.668   4.837
  323    HD3  LYS  45           1HD      LYS  45  -7.463  -9.335   6.445
  324    HE2  LYS  45           2HE      LYS  45  -8.894 -10.133   3.923
  325    HE3  LYS  45           1HE      LYS  45  -7.613 -11.051   4.710
  326    HZ1  LYS  45           3HZ      LYS  45 -10.275 -10.432   5.876
  327    HZ2  LYS  45           1HZ      LYS  45  -9.038 -11.286   6.654
  328    HZ3  LYS  45           2HZ      LYS  45  -9.776 -11.933   5.277
  329    H    LYS  46           H        LYS  46  -9.353  -4.289   4.517
  330    HA   LYS  46           HA       LYS  46 -10.367  -5.478   2.112
  331    HB2  LYS  46           2HB      LYS  46 -11.637  -3.343   1.839
  332    HB3  LYS  46           1HB      LYS  46 -11.899  -4.142   3.379
  333    HG2  LYS  46           2HG      LYS  46 -11.692  -1.985   4.064
  334    HG3  LYS  46           1HG      LYS  46 -10.015  -2.510   4.191
  335    HD2  LYS  46           2HD      LYS  46  -9.767  -0.509   3.086
  336    HD3  LYS  46           1HD      LYS  46  -9.867  -1.630   1.729
  337    HE2  LYS  46           2HE      LYS  46 -12.246  -0.154   2.836
  338    HE3  LYS  46           1HE      LYS  46 -11.245   0.474   1.532
  339    HZ1  LYS  46           3HZ      LYS  46 -13.209  -0.639   0.693
  340    HZ2  LYS  46           1HZ      LYS  46 -12.767  -2.075   1.463
  341    HZ3  LYS  46           2HZ      LYS  46 -11.818  -1.463   0.207
  342    H    VAL  47           H        VAL  47  -7.818  -3.238   2.856
  343    HA   VAL  47           HA       VAL  47  -7.320  -2.353   0.219
  344    HB   VAL  47           HB       VAL  47  -5.374  -2.780   2.494
  345   HG11  VAL  47          1HG1      VAL  47  -4.207  -2.755   0.355
  346   HG12  VAL  47          2HG1      VAL  47  -3.879  -1.280   1.262
  347   HG13  VAL  47          3HG1      VAL  47  -5.018  -1.252  -0.083
  348   HG21  VAL  47          3HG2      VAL  47  -7.203  -1.157   2.908
  349   HG22  VAL  47          1HG2      VAL  47  -6.663  -0.242   1.500
  350   HG23  VAL  47          2HG2      VAL  47  -5.602  -0.420   2.898
  351    H    PHE  48           H        PHE  48  -6.357  -5.195   2.035
  352    HA   PHE  48           HA       PHE  48  -4.657  -6.386   0.184
  353    HB2  PHE  48           2HB      PHE  48  -6.464  -7.540   2.287
  354    HB3  PHE  48           1HB      PHE  48  -5.456  -8.562   1.274
  355    HD1  PHE  48           2HD      PHE  48  -3.161  -6.356   1.246
  356    HD2  PHE  48           1HD      PHE  48  -5.370  -8.351   4.287
  357    HE1  PHE  48           2HE      PHE  48  -1.287  -6.058   2.802
  358    HE2  PHE  48           1HE      PHE  48  -3.496  -8.053   5.846
  359    HZ   PHE  48           HZ       PHE  48  -1.451  -6.908   5.105
  360    H    GLU  49           H        GLU  49  -8.170  -6.401   0.384
  361    HA   GLU  49           HA       GLU  49  -8.399  -8.268  -1.794
  362    HB2  GLU  49           2HB      GLU  49 -10.720  -8.129  -1.529
  363    HB3  GLU  49           1HB      GLU  49 -10.108  -7.866   0.098
  364    HG2  GLU  49           2HG      GLU  49 -10.400  -5.462  -0.178
  365    HG3  GLU  49           1HG      GLU  49 -11.040  -5.732  -1.798
  366    H    ILE  50           H        ILE  50  -7.861  -4.886  -1.539
  367    HA   ILE  50           HA       ILE  50  -8.981  -4.134  -4.042
  368    HB   ILE  50           HB       ILE  50  -6.665  -2.764  -2.672
  369   HG12  ILE  50          2HG1      ILE  50  -9.628  -2.224  -2.395
  370   HG13  ILE  50          1HG1      ILE  50  -8.640  -3.022  -1.175
  371   HG21  ILE  50          1HG2      ILE  50  -7.177  -2.189  -5.065
  372   HG22  ILE  50          2HG2      ILE  50  -7.297  -0.842  -3.937
  373   HG23  ILE  50          3HG2      ILE  50  -8.759  -1.634  -4.522
  374   HD11  ILE  50          3HD1      ILE  50  -8.897  -0.755  -0.527
  375   HD12  ILE  50          1HD1      ILE  50  -8.432  -0.184  -2.131
  376   HD13  ILE  50          2HD1      ILE  50  -7.236  -0.959  -1.094
  377    H    ILE  51           H        ILE  51  -5.620  -5.094  -3.124
  378    HA   ILE  51           HA       ILE  51  -4.619  -4.870  -5.773
  379    HB   ILE  51           HB       ILE  51  -2.936  -6.744  -5.032
  380   HG12  ILE  51          2HG1      ILE  51  -4.528  -7.063  -2.901
  381   HG13  ILE  51          1HG1      ILE  51  -2.789  -7.325  -2.801
  382   HG21  ILE  51          1HG2      ILE  51  -2.399  -4.400  -5.390
  383   HG22  ILE  51          2HG2      ILE  51  -1.506  -5.085  -4.030
  384   HG23  ILE  51          3HG2      ILE  51  -2.892  -4.028  -3.737
  385   HD11  ILE  51          3HD1      ILE  51  -4.415  -5.011  -1.804
  386   HD12  ILE  51          1HD1      ILE  51  -2.679  -4.856  -2.094
  387   HD13  ILE  51          2HD1      ILE  51  -3.271  -6.041  -0.939
  388    H    ASP  52           H        ASP  52  -6.267  -7.373  -4.010
  389    HA   ASP  52           HA       ASP  52  -6.214  -9.219  -6.209
  390    HB2  ASP  52           2HB      ASP  52  -6.413  -9.891  -3.758
  391    HB3  ASP  52           1HB      ASP  52  -8.053  -9.270  -3.807
  392    H    GLN  53           H        GLN  53  -7.011  -7.302  -7.588
  393    HA   GLN  53           HA       GLN  53  -9.487  -6.064  -7.246
  394    HB2  GLN  53           2HB      GLN  53  -7.407  -5.684  -8.885
  395    HB3  GLN  53           1HB      GLN  53  -8.464  -6.525 -10.005
  396    HG2  GLN  53           2HG      GLN  53  -9.405  -4.135  -8.469
  397    HG3  GLN  53           1HG      GLN  53  -8.493  -3.968  -9.965
  398   HE21  GLN  53          1HE2      GLN  53 -11.522  -4.815  -8.538
  399   HE22  GLN  53          2HE2      GLN  53 -12.401  -4.978 -10.018
  400    H    ASP  54           H        ASP  54  -8.610  -8.998  -8.910
  401    HA   ASP  54           HA       ASP  54 -11.200  -9.478 -10.052
  402    HB2  ASP  54           2HB      ASP  54  -9.421 -10.428 -11.248
  403    HB3  ASP  54           1HB      ASP  54  -8.656 -11.061  -9.798
  404    H    LYS  55           H        LYS  55  -9.847  -9.927  -6.980
  405    HA   LYS  55           HA       LYS  55 -10.428 -10.968  -5.083
  406    HB2  LYS  55           2HB      LYS  55 -12.558  -9.808  -5.394
  407    HB3  LYS  55           1HB      LYS  55 -13.161 -11.157  -6.346
  408    HG2  LYS  55           2HG      LYS  55 -13.978 -11.129  -4.004
  409    HG3  LYS  55           1HG      LYS  55 -13.128 -12.608  -4.448
  410    HD2  LYS  55           2HD      LYS  55 -11.074 -11.679  -3.372
  411    HD3  LYS  55           1HD      LYS  55 -12.039 -10.302  -2.832
  412    HE2  LYS  55           2HE      LYS  55 -11.806 -11.986  -1.070
  413    HE3  LYS  55           1HE      LYS  55 -13.486 -11.782  -1.558
  414    HZ1  LYS  55           3HZ      LYS  55 -11.663 -14.018  -2.285
  415    HZ2  LYS  55           1HZ      LYS  55 -13.181 -13.776  -2.996
  416    HZ3  LYS  55           2HZ      LYS  55 -13.063 -14.093  -1.343
  417    H    SER  56           H        SER  56  -8.953 -12.538  -6.078
  418    HA   SER  56           HA       SER  56 -10.229 -15.147  -6.563
  419    HB2  SER  56           2HB      SER  56  -7.466 -15.198  -7.214
  420    HB3  SER  56           1HB      SER  56  -8.836 -15.266  -8.324
  421    HG   SER  56           HG       SER  56  -8.659 -13.184  -8.753
  422    H    ASP  57           H        ASP  57  -8.888 -13.369  -4.191
  423    HA   ASP  57           HA       ASP  57  -7.980 -13.767  -2.162
  424    HB2  ASP  57           2HB      ASP  57  -8.454 -16.639  -2.929
  425    HB3  ASP  57           1HB      ASP  57  -7.633 -16.208  -1.430
  426    H    PHE  58           H        PHE  58  -6.636 -14.436  -5.024
  427    HA   PHE  58           HA       PHE  58  -3.955 -14.161  -3.893
  428    HB2  PHE  58           2HB      PHE  58  -4.737 -15.968  -6.195
  429    HB3  PHE  58           1HB      PHE  58  -3.077 -15.513  -5.830
  430    HD1  PHE  58           1HD      PHE  58  -2.030 -16.274  -3.720
  431    HD2  PHE  58           2HD      PHE  58  -5.853 -17.663  -4.972
  432    HE1  PHE  58           1HE      PHE  58  -1.850 -18.165  -2.156
  433    HE2  PHE  58           2HE      PHE  58  -5.682 -19.555  -3.408
  434    HZ   PHE  58           HZ       PHE  58  -3.679 -19.807  -1.998
  435    H    VAL  59           H        VAL  59  -2.689 -12.683  -5.003
  436    HA   VAL  59           HA       VAL  59  -4.239 -11.005  -6.847
  437    HB   VAL  59           HB       VAL  59  -1.821 -10.292  -5.207
  438   HG11  VAL  59          1HG1      VAL  59  -2.117  -8.082  -5.877
  439   HG12  VAL  59          2HG1      VAL  59  -3.697  -8.419  -6.576
  440   HG13  VAL  59          3HG1      VAL  59  -2.237  -9.037  -7.352
  441   HG21  VAL  59          3HG2      VAL  59  -4.708  -9.616  -4.730
  442   HG22  VAL  59          1HG2      VAL  59  -3.338  -9.068  -3.767
  443   HG23  VAL  59          2HG2      VAL  59  -3.761 -10.781  -3.804
  444    H    GLU  60           H        GLU  60  -3.744 -11.276  -8.918
  445    HA   GLU  60           HA       GLU  60  -1.120 -12.211  -9.695
  446    HB2  GLU  60           2HB      GLU  60  -3.432 -11.478 -11.475
  447    HB3  GLU  60           1HB      GLU  60  -2.015 -12.422 -11.912
  448    HG2  GLU  60           2HG      GLU  60  -4.077 -13.228  -9.897
  449    HG3  GLU  60           1HG      GLU  60  -4.017 -13.791 -11.563
  450    H    GLU  61           H        GLU  61  -0.297 -11.125 -11.828
  451    HA   GLU  61           HA       GLU  61   0.543  -8.486 -11.238
  452    HB2  GLU  61           2HB      GLU  61   1.940  -9.977 -12.494
  453    HB3  GLU  61           1HB      GLU  61   0.694 -10.217 -13.703
  454    HG2  GLU  61           2HG      GLU  61   1.799  -7.486 -13.288
  455    HG3  GLU  61           1HG      GLU  61   2.750  -8.686 -14.154
  456    H    ASP  62           H        ASP  62  -1.807  -9.777 -13.548
  457    HA   ASP  62           HA       ASP  62  -2.412  -7.257 -14.703
  458    HB2  ASP  62           2HB      ASP  62  -4.189  -8.404 -15.858
  459    HB3  ASP  62           1HB      ASP  62  -2.769  -9.448 -15.820
  460    H    GLU  63           H        GLU  63  -3.524  -8.938 -11.891
  461    HA   GLU  63           HA       GLU  63  -5.823  -7.332 -11.410
  462    HB2  GLU  63           2HB      GLU  63  -4.082  -8.994  -9.588
  463    HB3  GLU  63           1HB      GLU  63  -5.480  -8.097  -9.006
  464    HG2  GLU  63           2HG      GLU  63  -6.888  -9.347 -10.608
  465    HG3  GLU  63           1HG      GLU  63  -5.476 -10.316 -11.037
  466    H    LEU  64           H        LEU  64  -2.426  -7.117 -10.557
  467    HA   LEU  64           HA       LEU  64  -2.563  -4.932  -8.806
  468    HB2  LEU  64           2HB      LEU  64  -0.579  -6.577  -9.876
  469    HB3  LEU  64           1HB      LEU  64  -0.153  -4.964 -10.412
  470    HG   LEU  64           HG       LEU  64   0.983  -5.534  -8.339
  471   HD11  LEU  64          1HD1      LEU  64  -1.130  -3.445  -7.909
  472   HD12  LEU  64          2HD1      LEU  64   0.410  -3.202  -8.733
  473   HD13  LEU  64          3HD1      LEU  64   0.381  -3.601  -7.015
  474   HD21  LEU  64          3HD2      LEU  64  -1.790  -5.845  -7.218
  475   HD22  LEU  64          1HD2      LEU  64  -0.308  -5.806  -6.263
  476   HD23  LEU  64          2HD2      LEU  64  -0.577  -7.110  -7.418
  477    H    LYS  65           H        LYS  65  -2.586  -5.181 -12.261
  478    HA   LYS  65           HA       LYS  65  -1.812  -2.589 -12.944
  479    HB2  LYS  65           2HB      LYS  65  -2.947  -4.870 -14.259
  480    HB3  LYS  65           1HB      LYS  65  -3.775  -3.418 -14.798
  481    HG2  LYS  65           2HG      LYS  65  -1.866  -4.047 -16.220
  482    HG3  LYS  65           1HG      LYS  65  -1.714  -2.435 -15.519
  483    HD2  LYS  65           2HD      LYS  65  -0.085  -3.128 -13.994
  484    HD3  LYS  65           1HD      LYS  65  -0.468  -4.840 -14.220
  485    HE2  LYS  65           2HE      LYS  65   0.382  -4.725 -16.503
  486    HE3  LYS  65           1HE      LYS  65   0.764  -3.016 -16.287
  487    HZ1  LYS  65           3HZ      LYS  65   2.341  -3.648 -14.556
  488    HZ2  LYS  65           1HZ      LYS  65   2.715  -4.407 -16.024
  489    HZ3  LYS  65           2HZ      LYS  65   1.965  -5.284 -14.788
  490    H    LEU  66           H        LEU  66  -5.141  -3.857 -12.556
  491    HA   LEU  66           HA       LEU  66  -6.051  -1.076 -12.609
  492    HB2  LEU  66           2HB      LEU  66  -7.610  -3.623 -12.991
  493    HB3  LEU  66           1HB      LEU  66  -8.325  -2.022 -12.954
  494    HG   LEU  66           HG       LEU  66  -8.144  -2.288 -15.206
  495   HD11  LEU  66          1HD1      LEU  66  -6.117  -1.160 -16.062
  496   HD12  LEU  66          2HD1      LEU  66  -5.404  -1.279 -14.449
  497   HD13  LEU  66          3HD1      LEU  66  -6.861  -0.317 -14.702
  498   HD21  LEU  66          3HD2      LEU  66  -7.263  -4.507 -15.214
  499   HD22  LEU  66          1HD2      LEU  66  -5.671  -3.931 -14.726
  500   HD23  LEU  66          2HD2      LEU  66  -6.303  -3.526 -16.320
  501    H    PHE  67           H        PHE  67  -5.074  -3.071 -10.317
  502    HA   PHE  67           HA       PHE  67  -7.137  -3.165  -8.429
  503    HB2  PHE  67           2HB      PHE  67  -5.576  -4.109  -7.128
  504    HB3  PHE  67           1HB      PHE  67  -4.479  -3.935  -8.485
  505    HD1  PHE  67           2HD      PHE  67  -5.418  -2.655  -5.192
  506    HD2  PHE  67           1HD      PHE  67  -2.754  -2.226  -8.475
  507    HE1  PHE  67           2HE      PHE  67  -3.947  -1.263  -3.805
  508    HE2  PHE  67           1HE      PHE  67  -1.269  -0.840  -7.089
  509    HZ   PHE  67           HZ       PHE  67  -1.864  -0.353  -4.752
  510    H    LEU  68           H        LEU  68  -5.003  -0.598  -9.420
  511    HA   LEU  68           HA       LEU  68  -5.485   1.114  -7.202
  512    HB2  LEU  68           2HB      LEU  68  -4.614   2.042  -9.923
  513    HB3  LEU  68           1HB      LEU  68  -4.240   2.749  -8.362
  514    HG   LEU  68           HG       LEU  68  -3.169   0.202  -8.195
  515   HD11  LEU  68          1HD1      LEU  68  -2.495   1.350 -10.896
  516   HD12  LEU  68          2HD1      LEU  68  -3.559  -0.033 -10.640
  517   HD13  LEU  68          3HD1      LEU  68  -1.857  -0.128 -10.176
  518   HD21  LEU  68          3HD2      LEU  68  -1.038   1.344  -8.235
  519   HD22  LEU  68          1HD2      LEU  68  -2.219   2.302  -7.343
  520   HD23  LEU  68          2HD2      LEU  68  -1.780   2.754  -8.990
  521    H    GLN  69           H        GLN  69  -6.973   0.656 -10.332
  522    HA   GLN  69           HA       GLN  69  -8.619   2.983 -10.194
  523    HB2  GLN  69           2HB      GLN  69  -9.061   0.452 -11.791
  524    HB3  GLN  69           1HB      GLN  69  -9.835   2.006 -12.068
  525    HG2  GLN  69           2HG      GLN  69  -7.607   2.973 -12.557
  526    HG3  GLN  69           1HG      GLN  69  -6.914   1.359 -12.402
  527   HE21  GLN  69          1HE2      GLN  69  -6.928   3.112 -14.706
  528   HE22  GLN  69          2HE2      GLN  69  -7.737   2.252 -15.967
  529    H    ASN  70           H        ASN  70  -8.669  -0.131  -8.801
  530    HA   ASN  70           HA       ASN  70 -11.475  -0.064  -8.068
  531    HB2  ASN  70           2HB      ASN  70 -10.358  -2.223  -8.399
  532    HB3  ASN  70           1HB      ASN  70  -9.205  -1.840  -7.127
  533   HD21  ASN  70          1HD2      ASN  70 -12.676  -1.201  -7.050
  534   HD22  ASN  70          2HD2      ASN  70 -13.020  -2.289  -5.749
  535    H    PHE  71           H        PHE  71  -8.352   0.660  -6.678
  536    HA   PHE  71           HA       PHE  71  -9.172   1.256  -4.043
  537    HB2  PHE  71           2HB      PHE  71  -6.781   0.983  -5.139
  538    HB3  PHE  71           1HB      PHE  71  -6.918   2.718  -5.384
  539    HD1  PHE  71           2HD      PHE  71  -7.856   3.933  -3.098
  540    HD2  PHE  71           1HD      PHE  71  -5.558   0.360  -3.333
  541    HE1  PHE  71           2HE      PHE  71  -7.047   4.303  -0.804
  542    HE2  PHE  71           1HE      PHE  71  -4.747   0.725  -1.041
  543    HZ   PHE  71           HZ       PHE  71  -5.492   2.698   0.228
  544    H    SER  72           H        SER  72  -8.600   3.312  -6.881
  545    HA   SER  72           HA       SER  72 -10.702   5.125  -6.032
  546    HB2  SER  72           2HB      SER  72  -7.859   6.078  -6.477
  547    HB3  SER  72           1HB      SER  72  -9.260   7.119  -6.227
  548    HG   SER  72           HG       SER  72  -9.132   5.285  -4.269
  549    H    ALA  73           H        ALA  73 -11.675   6.132  -7.731
  550    HA   ALA  73           HA       ALA  73 -11.483   4.796 -10.201
  551    HB1  ALA  73           1HB      ALA  73 -13.576   5.690  -9.306
  552    HB2  ALA  73           2HB      ALA  73 -13.256   6.279 -10.937
  553    HB3  ALA  73           3HB      ALA  73 -12.975   7.329  -9.549
  554    H    GLY  74           H        GLY  74 -10.044   7.764  -9.066
  555    HA2  GLY  74           2HA      GLY  74  -9.330   8.516 -11.813
  556    HA3  GLY  74           1HA      GLY  74  -9.190   9.545 -10.396
  557    H    ALA  75           H        ALA  75  -8.100   6.345  -9.962
  558    HA   ALA  75           HA       ALA  75  -5.383   7.287  -9.660
  559    HB1  ALA  75           1HB      ALA  75  -6.319   5.796  -7.987
  560    HB2  ALA  75           2HB      ALA  75  -4.937   5.043  -8.782
  561    HB3  ALA  75           3HB      ALA  75  -6.575   4.555  -9.212
  562    H    ARG  76           H        ARG  76  -3.590   6.454 -10.718
  563    HA   ARG  76           HA       ARG  76  -3.990   5.763 -13.474
  564    HB2  ARG  76           2HB      ARG  76  -1.525   6.192 -11.801
  565    HB3  ARG  76           1HB      ARG  76  -1.466   5.790 -13.506
  566    HG2  ARG  76           2HG      ARG  76  -2.665   7.861 -14.028
  567    HG3  ARG  76           1HG      ARG  76  -2.684   8.268 -12.307
  568    HD2  ARG  76           2HD      ARG  76  -0.829   9.323 -13.672
  569    HD3  ARG  76           1HD      ARG  76  -0.323   8.445 -12.227
  570    HE   ARG  76           HE       ARG  76  -0.074   7.473 -15.002
  571   HH11  ARG  76          1HH1      ARG  76   0.930   7.411 -11.644
  572   HH12  ARG  76          2HH1      ARG  76   2.148   6.199 -11.896
  573   HH21  ARG  76          1HH2      ARG  76   1.502   5.848 -15.325
  574   HH22  ARG  76          2HH2      ARG  76   2.448   5.270 -13.983
  575    H    ALA  77           H        ALA  77  -3.340   3.862 -14.497
  576    HA   ALA  77           HA       ALA  77  -2.959   1.532 -12.794
  577    HB1  ALA  77           1HB      ALA  77  -4.504   1.316 -14.658
  578    HB2  ALA  77           2HB      ALA  77  -3.118   0.241 -14.879
  579    HB3  ALA  77           3HB      ALA  77  -3.223   1.750 -15.791
  580    H    LEU  78           H        LEU  78  -1.003   0.918 -12.215
  581    HA   LEU  78           HA       LEU  78   1.382   2.028 -13.237
  582    HB2  LEU  78           2HB      LEU  78   0.688  -0.173 -11.356
  583    HB3  LEU  78           1HB      LEU  78   2.320  -0.125 -11.986
  584    HG   LEU  78           HG       LEU  78   2.732   2.013 -10.984
  585   HD11  LEU  78          1HD1      LEU  78   0.588   3.079 -11.367
  586   HD12  LEU  78          2HD1      LEU  78   1.034   3.191  -9.664
  587   HD13  LEU  78          3HD1      LEU  78  -0.173   2.016 -10.185
  588   HD21  LEU  78          3HD2      LEU  78   2.987   0.098  -9.528
  589   HD22  LEU  78          1HD2      LEU  78   1.285   0.186  -9.075
  590   HD23  LEU  78          2HD2      LEU  78   2.391   1.481  -8.610
  591    H    SER  79           H        SER  79   2.815   1.322 -14.758
  592    HA   SER  79           HA       SER  79   2.283  -1.268 -16.024
  593    HB2  SER  79           2HB      SER  79   2.857   1.281 -17.545
  594    HB3  SER  79           1HB      SER  79   2.527  -0.305 -18.240
  595    HG   SER  79           HG       SER  79   0.633   0.725 -16.475
  596    H    ASP  80           H        ASP  80   4.010  -2.380 -16.754
  597    HA   ASP  80           HA       ASP  80   6.132  -3.125 -16.901
  598    HB2  ASP  80           2HB      ASP  80   6.159  -1.319 -18.642
  599    HB3  ASP  80           1HB      ASP  80   6.890  -0.256 -17.446
  600    H    ALA  81           H        ALA  81   7.716  -0.244 -15.929
  601    HA   ALA  81           HA       ALA  81   9.149  -1.811 -14.067
  602    HB1  ALA  81           1HB      ALA  81  10.199  -0.044 -15.396
  603    HB2  ALA  81           2HB      ALA  81  10.475   0.184 -13.668
  604    HB3  ALA  81           3HB      ALA  81   9.275   1.167 -14.507
  605    H    GLU  82           H        GLU  82   6.706   0.694 -13.719
  606    HA   GLU  82           HA       GLU  82   7.114   1.088 -10.953
  607    HB2  GLU  82           2HB      GLU  82   4.873   2.240 -11.084
  608    HB3  GLU  82           1HB      GLU  82   6.121   2.872 -12.139
  609    HG2  GLU  82           2HG      GLU  82   4.983   1.178 -13.838
  610    HG3  GLU  82           1HG      GLU  82   3.602   1.480 -12.791
  611    H    THR  83           H        THR  83   4.994  -1.026 -12.839
  612    HA   THR  83           HA       THR  83   3.613  -2.088 -10.599
  613    HB   THR  83           HB       THR  83   4.249  -3.731 -13.039
  614    HG1  THR  83           1HG      THR  83   2.105  -1.865 -12.856
  615   HG21  THR  83          3HG2      THR  83   3.071  -4.816 -11.186
  616   HG22  THR  83          1HG2      THR  83   2.022  -4.662 -12.598
  617   HG23  THR  83          2HG2      THR  83   1.831  -3.560 -11.235
  618    H    LYS  84           H        LYS  84   6.501  -3.068 -12.389
  619    HA   LYS  84           HA       LYS  84   7.018  -5.479 -11.136
  620    HB2  LYS  84           2HB      LYS  84   8.201  -4.973 -13.100
  621    HB3  LYS  84           1HB      LYS  84   8.800  -3.452 -12.456
  622    HG2  LYS  84           2HG      LYS  84  10.281  -4.617 -10.960
  623    HG3  LYS  84           1HG      LYS  84   9.620  -6.175 -11.468
  624    HD2  LYS  84           2HD      LYS  84  10.451  -5.829 -13.719
  625    HD3  LYS  84           1HD      LYS  84  11.024  -4.217 -13.287
  626    HE2  LYS  84           2HE      LYS  84  11.993  -6.789 -12.049
  627    HE3  LYS  84           1HE      LYS  84  12.826  -5.909 -13.330
  628    HZ1  LYS  84           3HZ      LYS  84  13.052  -4.023 -11.848
  629    HZ2  LYS  84           1HZ      LYS  84  13.737  -5.401 -11.149
  630    HZ3  LYS  84           2HZ      LYS  84  12.232  -4.846 -10.621
  631    H    VAL  85           H        VAL  85   8.549  -2.342 -10.334
  632    HA   VAL  85           HA       VAL  85   9.993  -3.450  -8.162
  633    HB   VAL  85           HB       VAL  85  10.791  -1.474  -9.332
  634   HG11  VAL  85          1HG1      VAL  85   8.420  -0.073  -8.118
  635   HG12  VAL  85          2HG1      VAL  85   8.684  -0.409  -9.829
  636   HG13  VAL  85          3HG1      VAL  85   9.744   0.713  -8.976
  637   HG21  VAL  85          3HG2      VAL  85  11.421  -0.109  -7.396
  638   HG22  VAL  85          1HG2      VAL  85  11.567  -1.834  -7.059
  639   HG23  VAL  85          2HG2      VAL  85  10.194  -0.926  -6.429
  640    H    PHE  86           H        PHE  86   6.919  -1.693  -8.346
  641    HA   PHE  86           HA       PHE  86   6.616  -1.468  -5.520
  642    HB2  PHE  86           2HB      PHE  86   5.464   0.101  -6.877
  643    HB3  PHE  86           1HB      PHE  86   4.725  -1.154  -7.848
  644    HD1  PHE  86           1HD      PHE  86   2.759  -2.360  -7.019
  645    HD2  PHE  86           2HD      PHE  86   4.593   0.726  -4.734
  646    HE1  PHE  86           1HE      PHE  86   0.758  -2.229  -5.591
  647    HE2  PHE  86           2HE      PHE  86   2.599   0.855  -3.301
  648    HZ   PHE  86           HZ       PHE  86   0.677  -0.625  -3.729
  649    H    LEU  87           H        LEU  87   5.742  -3.854  -7.913
  650    HA   LEU  87           HA       LEU  87   4.047  -5.464  -6.302
  651    HB2  LEU  87           2HB      LEU  87   4.353  -5.489  -8.839
  652    HB3  LEU  87           1HB      LEU  87   5.829  -6.383  -8.559
  653    HG   LEU  87           HG       LEU  87   4.337  -8.095  -7.351
  654   HD11  LEU  87          1HD1      LEU  87   2.035  -8.140  -7.884
  655   HD12  LEU  87          2HD1      LEU  87   2.212  -6.829  -9.048
  656   HD13  LEU  87          3HD1      LEU  87   2.366  -6.498  -7.324
  657   HD21  LEU  87          3HD2      LEU  87   5.430  -8.483  -9.494
  658   HD22  LEU  87          1HD2      LEU  87   4.102  -7.670 -10.324
  659   HD23  LEU  87          2HD2      LEU  87   3.812  -9.187  -9.473
  660    H    LYS  88           H        LYS  88   7.480  -5.560  -7.104
  661    HA   LYS  88           HA       LYS  88   8.091  -7.887  -5.596
  662    HB2  LYS  88           2HB      LYS  88   9.357  -6.873  -7.553
  663    HB3  LYS  88           1HB      LYS  88  10.035  -5.732  -6.404
  664    HG2  LYS  88           2HG      LYS  88  11.617  -7.469  -6.701
  665    HG3  LYS  88           1HG      LYS  88  10.888  -7.705  -5.111
  666    HD2  LYS  88           2HD      LYS  88   9.449  -9.433  -5.974
  667    HD3  LYS  88           1HD      LYS  88  10.014  -9.128  -7.618
  668    HE2  LYS  88           2HE      LYS  88  11.714 -10.116  -5.331
  669    HE3  LYS  88           1HE      LYS  88  11.059 -11.121  -6.622
  670    HZ1  LYS  88           3HZ      LYS  88  12.329  -9.767  -8.213
  671    HZ2  LYS  88           1HZ      LYS  88  13.324 -10.564  -7.104
  672    HZ3  LYS  88           2HZ      LYS  88  13.021  -8.913  -6.927
  673    H    ALA  89           H        ALA  89   7.645  -4.600  -4.758
  674    HA   ALA  89           HA       ALA  89   9.200  -4.340  -2.449
  675    HB1  ALA  89           1HB      ALA  89   7.884  -2.517  -3.519
  676    HB2  ALA  89           2HB      ALA  89   7.661  -2.621  -1.772
  677    HB3  ALA  89           3HB      ALA  89   6.418  -3.245  -2.856
  678    H    GLY  90           H        GLY  90   6.304  -6.091  -3.108
  679    HA2  GLY  90           2HA      GLY  90   6.032  -6.787  -0.251
  680    HA3  GLY  90           1HA      GLY  90   4.733  -6.889  -1.437
  681    H    ASP  91           H        ASP  91   5.703  -8.191  -3.490
  682    HA   ASP  91           HA       ASP  91   5.918 -10.882  -2.635
  683    HB2  ASP  91           2HB      ASP  91   4.953 -10.247  -4.803
  684    HB3  ASP  91           1HB      ASP  91   6.532  -9.675  -5.337
  685    H    SER  92           H        SER  92   7.662 -11.443  -1.471
  686    HA   SER  92           HA       SER  92  10.243 -10.230  -2.145
  687    HB2  SER  92           2HB      SER  92   9.505 -11.827   0.317
  688    HB3  SER  92           1HB      SER  92  10.919 -10.795   0.095
  689    HG   SER  92           HG       SER  92   8.299  -9.754  -0.147
  690    H    ASP  93           H        ASP  93   8.519 -13.118  -2.452
  691    HA   ASP  93           HA       ASP  93  10.971 -14.724  -2.577
  692    HB2  ASP  93           2HB      ASP  93   9.592 -16.679  -2.328
  693    HB3  ASP  93           1HB      ASP  93   9.139 -15.513  -1.095
  694    H    GLY  94           H        GLY  94   9.003 -13.054  -4.652
  695    HA2  GLY  94           2HA      GLY  94   9.419 -12.819  -6.919
  696    HA3  GLY  94           1HA      GLY  94  10.451 -14.234  -6.844
  697    H    ASP  95           H        ASP  95   6.960 -13.688  -6.256
  698    HA   ASP  95           HA       ASP  95   6.341 -16.071  -7.827
  699    HB2  ASP  95           2HB      ASP  95   4.477 -14.113  -6.464
  700    HB3  ASP  95           1HB      ASP  95   3.992 -15.614  -7.237
  701    H    GLY  96           H        GLY  96   6.580 -12.685  -8.209
  702    HA2  GLY  96           2HA      GLY  96   6.265 -11.371 -10.102
  703    HA3  GLY  96           1HA      GLY  96   5.660 -12.791 -10.951
  704    H    LYS  97           H        LYS  97   4.428 -11.909  -7.868
  705    HA   LYS  97           HA       LYS  97   2.081 -10.523  -8.809
  706    HB2  LYS  97           2HB      LYS  97   0.482 -12.216  -8.159
  707    HB3  LYS  97           1HB      LYS  97   1.584 -12.926  -9.330
  708    HG2  LYS  97           2HG      LYS  97   2.760 -14.101  -7.625
  709    HG3  LYS  97           1HG      LYS  97   1.878 -13.253  -6.351
  710    HD2  LYS  97           2HD      LYS  97   0.951 -15.458  -6.599
  711    HD3  LYS  97           1HD      LYS  97  -0.218 -14.292  -7.221
  712    HE2  LYS  97           2HE      LYS  97   0.635 -14.746  -9.510
  713    HE3  LYS  97           1HE      LYS  97   1.666 -16.006  -8.834
  714    HZ1  LYS  97           3HZ      LYS  97  -0.320 -16.992  -9.686
  715    HZ2  LYS  97           1HZ      LYS  97  -1.301 -15.925  -8.810
  716    HZ3  LYS  97           2HZ      LYS  97  -0.373 -17.089  -8.003
  717    H    ILE  98           H        ILE  98   0.521 -10.389  -6.794
  718    HA   ILE  98           HA       ILE  98   2.262  -9.884  -4.497
  719    HB   ILE  98           HB       ILE  98  -0.323  -8.658  -5.371
  720   HG12  ILE  98          2HG1      ILE  98   1.764  -7.571  -5.976
  721   HG13  ILE  98          1HG1      ILE  98   0.868  -6.578  -4.832
  722   HG21  ILE  98          1HG2      ILE  98  -0.811  -9.319  -3.096
  723   HG22  ILE  98          2HG2      ILE  98  -0.565  -7.573  -3.170
  724   HG23  ILE  98          3HG2      ILE  98   0.709  -8.617  -2.540
  725   HD11  ILE  98          3HD1      ILE  98   3.183  -6.528  -4.257
  726   HD12  ILE  98          1HD1      ILE  98   3.276  -8.288  -4.259
  727   HD13  ILE  98          2HD1      ILE  98   2.326  -7.457  -3.029
  728    H    GLY  99           H        GLY  99   2.347 -11.601  -3.180
  729    HA2  GLY  99           2HA      GLY  99   0.023 -13.072  -2.414
  730    HA3  GLY  99           1HA      GLY  99   1.530 -12.953  -1.494
  731    H    VAL 100           H        VAL 100  -1.470 -12.544  -0.844
  732    HA   VAL 100           HA       VAL 100  -1.940  -9.826  -0.443
  733    HB   VAL 100           HB       VAL 100  -3.085 -12.296   0.780
  734   HG11  VAL 100          1HG1      VAL 100  -4.834 -10.854   1.818
  735   HG12  VAL 100          2HG1      VAL 100  -3.787  -9.469   1.502
  736   HG13  VAL 100          3HG1      VAL 100  -3.250 -10.752   2.583
  737   HG21  VAL 100          3HG2      VAL 100  -5.084 -11.558  -0.456
  738   HG22  VAL 100          1HG2      VAL 100  -3.685 -11.782  -1.509
  739   HG23  VAL 100          2HG2      VAL 100  -4.181 -10.157  -1.036
  740    H    ASP 101           H        ASP 101  -0.521 -12.226   1.747
  741    HA   ASP 101           HA       ASP 101  -0.196 -10.378   3.896
  742    HB2  ASP 101           2HB      ASP 101  -0.273 -12.871   4.154
  743    HB3  ASP 101           1HB      ASP 101   1.332 -12.943   3.431
  744    H    GLU 102           H        GLU 102   1.692 -11.316   1.121
  745    HA   GLU 102           HA       GLU 102   4.146 -10.137   1.872
  746    HB2  GLU 102           2HB      GLU 102   3.007 -10.610  -0.894
  747    HB3  GLU 102           1HB      GLU 102   4.667 -10.140  -0.561
  748    HG2  GLU 102           2HG      GLU 102   4.792 -12.263   0.859
  749    HG3  GLU 102           1HG      GLU 102   3.302 -12.736   0.045
  750    H    PHE 103           H        PHE 103   1.242  -8.870   0.326
  751    HA   PHE 103           HA       PHE 103   2.279  -6.334  -0.360
  752    HB2  PHE 103           2HB      PHE 103   0.097  -7.280  -1.177
  753    HB3  PHE 103           1HB      PHE 103  -0.580  -6.954   0.414
  754    HD1  PHE 103           1HD      PHE 103   0.840  -5.396  -2.609
  755    HD2  PHE 103           2HD      PHE 103  -1.272  -4.771   1.030
  756    HE1  PHE 103           1HE      PHE 103   0.306  -3.103  -3.318
  757    HE2  PHE 103           2HE      PHE 103  -1.814  -2.475   0.325
  758    HZ   PHE 103           HZ       PHE 103  -1.023  -1.640  -1.851
  759    H    GLY 104           H        GLY 104   0.640  -7.534   2.547
  760    HA2  GLY 104           2HA      GLY 104   0.573  -5.179   4.038
  761    HA3  GLY 104           1HA      GLY 104   0.753  -6.789   4.725
  762    H    ALA 105           H        ALA 105   3.215  -7.424   3.489
  763    HA   ALA 105           HA       ALA 105   5.029  -6.353   5.341
  764    HB1  ALA 105           1HB      ALA 105   5.606  -7.776   2.745
  765    HB2  ALA 105           2HB      ALA 105   5.319  -8.545   4.306
  766    HB3  ALA 105           3HB      ALA 105   6.743  -7.534   4.070
  767    H    MET 106           H        MET 106   4.138  -5.294   2.103
  768    HA   MET 106           HA       MET 106   6.450  -3.560   1.894
  769    HB2  MET 106           2HB      MET 106   5.868  -3.168  -0.290
  770    HB3  MET 106           1HB      MET 106   5.090  -4.724  -0.052
  771    HG2  MET 106           2HG      MET 106   2.963  -3.749   0.137
  772    HG3  MET 106           1HG      MET 106   3.632  -2.136   0.340
  773    HE1  MET 106           3HE      MET 106   4.527  -4.964  -2.300
  774    HE2  MET 106           1HE      MET 106   3.453  -4.479  -3.614
  775    HE3  MET 106           2HE      MET 106   2.778  -5.022  -2.079
  776    H    ILE 107           H        ILE 107   3.216  -3.355   3.066
  777    HA   ILE 107           HA       ILE 107   2.993  -0.492   2.921
  778    HB   ILE 107           HB       ILE 107   1.493  -2.351   4.783
  779   HG12  ILE 107          2HG1      ILE 107   0.666  -1.454   2.016
  780   HG13  ILE 107          1HG1      ILE 107   1.304  -3.052   2.393
  781   HG21  ILE 107          1HG2      ILE 107  -0.229  -0.585   4.676
  782   HG22  ILE 107          2HG2      ILE 107   0.883   0.401   3.729
  783   HG23  ILE 107          3HG2      ILE 107   1.287  -0.035   5.387
  784   HD11  ILE 107          3HD1      ILE 107  -1.119  -3.080   2.237
  785   HD12  ILE 107          1HD1      ILE 107  -1.225  -1.859   3.506
  786   HD13  ILE 107          2HD1      ILE 107  -0.589  -3.461   3.874
  787    H    LYS 108           H        LYS 108   4.236  -2.857   5.057
  788    HA   LYS 108           HA       LYS 108   4.631  -0.966   7.232
  789    HB2  LYS 108           2HB      LYS 108   3.707  -3.047   7.853
  790    HB3  LYS 108           1HB      LYS 108   4.905  -3.945   6.933
  791    HG2  LYS 108           2HG      LYS 108   6.242  -2.354   8.886
  792    HG3  LYS 108           1HG      LYS 108   4.945  -3.262   9.665
  793    HD2  LYS 108           2HD      LYS 108   7.075  -4.441   7.881
  794    HD3  LYS 108           1HD      LYS 108   7.069  -4.507   9.643
  795    HE2  LYS 108           2HE      LYS 108   5.026  -5.804   9.622
  796    HE3  LYS 108           1HE      LYS 108   4.922  -5.664   7.868
  797    HZ1  LYS 108           3HZ      LYS 108   6.976  -6.919   7.683
  798    HZ2  LYS 108           1HZ      LYS 108   5.813  -7.802   8.534
  799    HZ3  LYS 108           2HZ      LYS 108   7.078  -7.053   9.364
  800    H    ALA 109           H        ALA 109   6.339  -2.303   4.600
  801    HA   ALA 109           HA       ALA 109   8.831  -1.158   5.633
  802    HB1  ALA 109           1HB      ALA 109  10.123  -2.995   4.693
  803    HB2  ALA 109           2HB      ALA 109   8.637  -3.786   4.166
  804    HB3  ALA 109           3HB      ALA 109   8.970  -3.591   5.887
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1 -16.613   8.251  -4.417
    2    H2   MET   1           2HT      MET   1 -15.468   9.485  -4.530
    3    H3   MET   1           3HT      MET   1 -16.264   8.940  -5.917
    4    HA   MET   1           HA       MET   1 -17.147  11.054  -5.192
    5    HB2  MET   1           2HB      MET   1 -18.622   9.430  -6.316
    6    HB3  MET   1           1HB      MET   1 -19.051   8.747  -4.755
    7    HG2  MET   1           2HG      MET   1 -20.811  10.193  -5.477
    8    HG3  MET   1           1HG      MET   1 -19.998  10.930  -4.100
    9    HE1  MET   1           2HE      MET   1 -21.176  13.236  -4.670
   10    HE2  MET   1           3HE      MET   1 -21.970  12.510  -6.067
   11    HE3  MET   1           1HE      MET   1 -21.082  14.022  -6.246
   12    H    ALA   2           H        ALA   2 -18.135   8.549  -2.833
   13    HA   ALA   2           HA       ALA   2 -18.153  10.644  -0.761
   14    HB1  ALA   2           1HB      ALA   2 -20.304   9.509  -1.118
   15    HB2  ALA   2           2HB      ALA   2 -19.659   9.193   0.491
   16    HB3  ALA   2           3HB      ALA   2 -19.539   7.962  -0.765
   17    H    PHE   3           H        PHE   3 -16.925  10.381   1.084
   18    HA   PHE   3           HA       PHE   3 -15.436   7.866   1.318
   19    HB2  PHE   3           2HB      PHE   3 -13.368   9.045   1.828
   20    HB3  PHE   3           1HB      PHE   3 -13.951   9.497   0.235
   21    HD1  PHE   3           2HD      PHE   3 -15.083  11.730  -0.051
   22    HD2  PHE   3           1HD      PHE   3 -12.978  10.649   3.488
   23    HE1  PHE   3           2HE      PHE   3 -14.900  14.104   0.562
   24    HE2  PHE   3           1HE      PHE   3 -12.788  13.023   4.104
   25    HZ   PHE   3           HZ       PHE   3 -13.751  14.754   2.639
   26    H    ALA   4           H        ALA   4 -15.266   7.074   3.296
   27    HA   ALA   4           HA       ALA   4 -16.520   8.512   5.495
   28    HB1  ALA   4           1HB      ALA   4 -16.365   6.376   6.681
   29    HB2  ALA   4           2HB      ALA   4 -15.444   5.694   5.338
   30    HB3  ALA   4           3HB      ALA   4 -17.125   6.175   5.103
   31    H    GLY   5           H        GLY   5 -13.418   7.692   4.291
   32    HA2  GLY   5           2HA      GLY   5 -11.542   9.002   5.183
   33    HA3  GLY   5           1HA      GLY   5 -12.178   8.663   6.792
   34    H    ILE   6           H        ILE   6 -12.667   5.934   5.063
   35    HA   ILE   6           HA       ILE   6 -10.566   4.426   6.181
   36    HB   ILE   6           HB       ILE   6 -12.468   3.880   3.903
   37   HG12  ILE   6          2HG1      ILE   6 -13.389   3.894   6.183
   38   HG13  ILE   6          1HG1      ILE   6 -13.460   2.289   5.464
   39   HG21  ILE   6          1HG2      ILE   6 -10.448   2.663   3.371
   40   HG22  ILE   6          2HG2      ILE   6 -11.687   1.538   3.928
   41   HG23  ILE   6          3HG2      ILE   6 -10.373   2.008   5.009
   42   HD11  ILE   6          3HD1      ILE   6 -11.465   3.255   7.499
   43   HD12  ILE   6          1HD1      ILE   6 -11.440   1.669   6.730
   44   HD13  ILE   6          2HD1      ILE   6 -12.790   2.126   7.766
   45    H    LEU   7           H        LEU   7 -11.032   5.874   2.990
   46    HA   LEU   7           HA       LEU   7  -8.187   6.297   2.891
   47    HB2  LEU   7           2HB      LEU   7  -7.771   5.384   0.735
   48    HB3  LEU   7           1HB      LEU   7  -8.457   4.131   1.731
   49    HG   LEU   7           HG       LEU   7  -9.369   3.787  -0.376
   50   HD11  LEU   7          1HD1      LEU   7 -11.087   3.641   1.290
   51   HD12  LEU   7          2HD1      LEU   7 -11.756   4.264  -0.217
   52   HD13  LEU   7          3HD1      LEU   7 -11.435   5.361   1.125
   53   HD21  LEU   7          3HD2      LEU   7  -8.698   5.817  -1.464
   54   HD22  LEU   7          1HD2      LEU   7  -9.916   6.735  -0.580
   55   HD23  LEU   7          2HD2      LEU   7 -10.411   5.524  -1.762
   56    H    ASN   8           H        ASN   8  -7.660   8.174   2.000
   57    HA   ASN   8           HA       ASN   8  -9.867   9.843   1.096
   58    HB2  ASN   8           2HB      ASN   8  -7.061  10.454   1.996
   59    HB3  ASN   8           1HB      ASN   8  -8.087  11.669   1.240
   60   HD21  ASN   8          1HD2      ASN   8  -7.846   9.452   3.921
   61   HD22  ASN   8          2HD2      ASN   8  -8.845  10.347   5.011
   62    H    ASP   9           H        ASP   9 -10.242   9.927  -1.014
   63    HA   ASP   9           HA       ASP   9  -8.645   8.805  -2.998
   64    HB2  ASP   9           2HB      ASP   9 -10.758  10.955  -3.236
   65    HB3  ASP   9           1HB      ASP   9 -10.038  10.129  -4.611
   66    H    ALA  10           H        ALA  10  -8.725  12.046  -1.708
   67    HA   ALA  10           HA       ALA  10  -7.129  13.318  -3.642
   68    HB1  ALA  10           1HB      ALA  10  -8.476  14.549  -2.027
   69    HB2  ALA  10           2HB      ALA  10  -6.783  15.038  -1.932
   70    HB3  ALA  10           3HB      ALA  10  -7.460  13.957  -0.712
   71    H    ASP  11           H        ASP  11  -6.288  11.652  -0.616
   72    HA   ASP  11           HA       ASP  11  -3.532  12.263  -0.726
   73    HB2  ASP  11           2HB      ASP  11  -5.134  10.225   0.772
   74    HB3  ASP  11           1HB      ASP  11  -3.377  10.163   0.804
   75    H    ILE  12           H        ILE  12  -5.368   9.440  -1.710
   76    HA   ILE  12           HA       ILE  12  -3.207   7.927  -2.668
   77    HB   ILE  12           HB       ILE  12  -6.150   7.938  -3.142
   78   HG12  ILE  12          2HG1      ILE  12  -5.911   5.592  -2.291
   79   HG13  ILE  12          1HG1      ILE  12  -4.191   5.889  -2.087
   80   HG21  ILE  12          1HG2      ILE  12  -5.957   5.992  -4.642
   81   HG22  ILE  12          2HG2      ILE  12  -4.208   6.215  -4.678
   82   HG23  ILE  12          3HG2      ILE  12  -5.269   7.454  -5.349
   83   HD11  ILE  12          3HD1      ILE  12  -5.381   6.081   0.015
   84   HD12  ILE  12          1HD1      ILE  12  -6.412   7.339  -0.666
   85   HD13  ILE  12          2HD1      ILE  12  -4.685   7.632  -0.455
   86    H    THR  13           H        THR  13  -5.358  10.236  -4.288
   87    HA   THR  13           HA       THR  13  -4.220  10.024  -6.854
   88    HB   THR  13           HB       THR  13  -5.667  12.351  -5.569
   89    HG1  THR  13           1HG      THR  13  -6.995  10.556  -5.699
   90   HG21  THR  13          3HG2      THR  13  -6.110  13.126  -7.840
   91   HG22  THR  13          1HG2      THR  13  -5.134  11.810  -8.493
   92   HG23  THR  13          2HG2      THR  13  -4.375  13.076  -7.529
   93    H    ALA  14           H        ALA  14  -3.380  11.985  -4.043
   94    HA   ALA  14           HA       ALA  14  -1.477  13.651  -5.268
   95    HB1  ALA  14           1HB      ALA  14  -1.505  12.634  -2.429
   96    HB2  ALA  14           2HB      ALA  14  -2.377  14.048  -3.021
   97    HB3  ALA  14           3HB      ALA  14  -0.614  14.032  -3.027
   98    H    ALA  15           H        ALA  15  -1.180  10.468  -3.754
   99    HA   ALA  15           HA       ALA  15   1.617  10.209  -4.126
  100    HB1  ALA  15           1HB      ALA  15  -0.482   8.062  -3.838
  101    HB2  ALA  15           2HB      ALA  15   0.399   8.836  -2.522
  102    HB3  ALA  15           3HB      ALA  15   1.259   7.828  -3.685
  103    H    LEU  16           H        LEU  16  -1.180   9.358  -6.093
  104    HA   LEU  16           HA       LEU  16   0.341   8.052  -8.128
  105    HB2  LEU  16           2HB      LEU  16  -2.473   9.145  -8.140
  106    HB3  LEU  16           1HB      LEU  16  -1.768   8.223  -9.453
  107    HG   LEU  16           HG       LEU  16  -2.036   7.151  -6.648
  108   HD11  LEU  16          1HD1      LEU  16  -3.956   5.873  -7.551
  109   HD12  LEU  16          2HD1      LEU  16  -3.884   6.870  -9.005
  110   HD13  LEU  16          3HD1      LEU  16  -4.249   7.608  -7.448
  111   HD21  LEU  16          3HD2      LEU  16  -1.536   5.802  -9.299
  112   HD22  LEU  16          1HD2      LEU  16  -1.712   4.993  -7.743
  113   HD23  LEU  16          2HD2      LEU  16  -0.341   6.063  -8.029
  114    H    ALA  17           H        ALA  17  -0.371  11.329  -7.399
  115    HA   ALA  17           HA       ALA  17   0.297  12.362 -10.002
  116    HB1  ALA  17           1HB      ALA  17   0.211  13.782  -7.337
  117    HB2  ALA  17           2HB      ALA  17  -1.146  13.617  -8.451
  118    HB3  ALA  17           3HB      ALA  17   0.275  14.545  -8.926
  119    H    ALA  18           H        ALA  18   1.945  11.742  -6.965
  120    HA   ALA  18           HA       ALA  18   4.458  12.835  -7.752
  121    HB1  ALA  18           1HB      ALA  18   3.846  10.759  -5.644
  122    HB2  ALA  18           2HB      ALA  18   3.853  12.504  -5.393
  123    HB3  ALA  18           3HB      ALA  18   5.349  11.667  -5.802
  124    H    CYS  19           H        CYS  19   2.822   9.804  -8.131
  125    HA   CYS  19           HA       CYS  19   5.161   8.674  -9.509
  126    HB2  CYS  19           2HB      CYS  19   2.670   7.261  -8.539
  127    HB3  CYS  19           1HB      CYS  19   4.113   6.503  -9.200
  128    HG   CYS  19           HG       CYS  19   3.583   7.789  -6.123
  129    H    LYS  20           H        LYS  20   3.475  10.694 -10.688
  130    HA   LYS  20           HA       LYS  20   1.721   9.452 -12.568
  131    HB2  LYS  20           2HB      LYS  20   1.320  11.754 -11.948
  132    HB3  LYS  20           1HB      LYS  20   2.939  12.219 -12.458
  133    HG2  LYS  20           2HG      LYS  20   2.377  11.724 -14.761
  134    HG3  LYS  20           1HG      LYS  20   0.771  11.194 -14.269
  135    HD2  LYS  20           2HD      LYS  20   0.190  13.408 -13.561
  136    HD3  LYS  20           1HD      LYS  20   1.844  13.973 -13.815
  137    HE2  LYS  20           2HE      LYS  20   0.305  14.627 -15.640
  138    HE3  LYS  20           1HE      LYS  20   1.648  13.627 -16.190
  139    HZ1  LYS  20           3HZ      LYS  20  -1.123  12.685 -15.676
  140    HZ2  LYS  20           1HZ      LYS  20   0.165  11.709 -16.179
  141    HZ3  LYS  20           2HZ      LYS  20  -0.421  12.924 -17.194
  142    H    ALA  21           H        ALA  21   5.076  10.348 -12.453
  143    HA   ALA  21           HA       ALA  21   5.684   9.945 -15.190
  144    HB1  ALA  21           1HB      ALA  21   7.175  11.185 -13.712
  145    HB2  ALA  21           2HB      ALA  21   8.013   9.811 -14.434
  146    HB3  ALA  21           3HB      ALA  21   7.461   9.726 -12.763
  147    H    GLU  22           H        GLU  22   5.264   8.089 -16.173
  148    HA   GLU  22           HA       GLU  22   4.898   5.628 -14.872
  149    HB2  GLU  22           2HB      GLU  22   5.433   6.207 -17.789
  150    HB3  GLU  22           1HB      GLU  22   4.872   4.665 -17.156
  151    HG2  GLU  22           2HG      GLU  22   2.832   5.706 -16.359
  152    HG3  GLU  22           1HG      GLU  22   3.399   7.278 -16.921
  153    H    GLY  23           H        GLY  23   6.218   4.045 -14.330
  154    HA2  GLY  23           2HA      GLY  23   8.157   2.714 -14.403
  155    HA3  GLY  23           1HA      GLY  23   8.911   3.897 -15.465
  156    H    SER  24           H        SER  24   7.354   5.322 -12.850
  157    HA   SER  24           HA       SER  24   9.841   5.438 -11.293
  158    HB2  SER  24           2HB      SER  24   9.593   7.403 -12.871
  159    HB3  SER  24           1HB      SER  24   8.154   7.864 -11.964
  160    HG   SER  24           HG       SER  24   9.378   8.337 -10.225
  161    H    PHE  25           H        PHE  25   7.283   4.014 -10.927
  162    HA   PHE  25           HA       PHE  25   5.748   5.333  -8.929
  163    HB2  PHE  25           2HB      PHE  25   5.004   3.335 -10.341
  164    HB3  PHE  25           1HB      PHE  25   5.995   2.347  -9.265
  165    HD1  PHE  25           1HD      PHE  25   3.129   4.707  -9.281
  166    HD2  PHE  25           2HD      PHE  25   5.161   1.570  -7.248
  167    HE1  PHE  25           1HE      PHE  25   1.259   4.530  -7.694
  168    HE2  PHE  25           2HE      PHE  25   3.292   1.386  -5.658
  169    HZ   PHE  25           HZ       PHE  25   1.340   2.869  -5.877
  170    H    ASP  26           H        ASP  26   6.269   5.682  -6.879
  171    HA   ASP  26           HA       ASP  26   8.248   3.902  -5.630
  172    HB2  ASP  26           2HB      ASP  26   8.712   6.404  -5.672
  173    HB3  ASP  26           1HB      ASP  26   7.346   6.589  -4.578
  174    H    HIS  27           H        HIS  27   6.906   2.253  -5.103
  175    HA   HIS  27           HA       HIS  27   4.373   2.235  -4.100
  176    HB2  HIS  27           2HB      HIS  27   4.749   0.022  -3.437
  177    HB3  HIS  27           1HB      HIS  27   5.985   0.287  -4.651
  178    HD1  HIS  27           1HD      HIS  27   8.436   0.219  -3.911
  179    HD2  HIS  27           2HD      HIS  27   5.730  -0.284  -0.792
  180    HE1  HIS  27           1HE      HIS  27   9.797  -0.571  -1.953
  181    HE2  HIS  27           2HE      HIS  27   8.156  -0.803  -0.058
  182    H    LYS  28           H        LYS  28   7.251   3.081  -2.430
  183    HA   LYS  28           HA       LYS  28   6.246   2.811   0.220
  184    HB2  LYS  28           2HB      LYS  28   8.613   2.669  -0.447
  185    HB3  LYS  28           1HB      LYS  28   8.561   4.364  -0.908
  186    HG2  LYS  28           2HG      LYS  28   8.133   5.011   1.398
  187    HG3  LYS  28           1HG      LYS  28   8.170   3.318   1.882
  188    HD2  LYS  28           2HD      LYS  28  10.294   4.247   2.417
  189    HD3  LYS  28           1HD      LYS  28  10.520   3.214   1.010
  190    HE2  LYS  28           2HE      LYS  28  10.077   6.174   0.754
  191    HE3  LYS  28           1HE      LYS  28  11.678   5.497   1.021
  192    HZ1  LYS  28           3HZ      LYS  28  11.234   4.108  -1.024
  193    HZ2  LYS  28           1HZ      LYS  28  11.457   5.764  -1.281
  194    HZ3  LYS  28           2HZ      LYS  28   9.902   5.113  -1.321
  195    H    ALA  29           H        ALA  29   6.955   5.606  -1.871
  196    HA   ALA  29           HA       ALA  29   6.031   7.646  -0.253
  197    HB1  ALA  29           1HB      ALA  29   7.195   8.003  -2.385
  198    HB2  ALA  29           2HB      ALA  29   5.710   8.947  -2.280
  199    HB3  ALA  29           3HB      ALA  29   5.752   7.475  -3.252
  200    H    PHE  30           H        PHE  30   4.230   5.372  -2.201
  201    HA   PHE  30           HA       PHE  30   1.726   6.671  -2.072
  202    HB2  PHE  30           2HB      PHE  30   2.320   4.827  -3.658
  203    HB3  PHE  30           1HB      PHE  30   2.270   3.699  -2.310
  204    HD1  PHE  30           2HD      PHE  30   0.300   5.769  -4.577
  205    HD2  PHE  30           1HD      PHE  30   0.159   3.034  -1.321
  206    HE1  PHE  30           2HE      PHE  30  -2.109   5.453  -4.953
  207    HE2  PHE  30           1HE      PHE  30  -2.250   2.712  -1.693
  208    HZ   PHE  30           HZ       PHE  30  -3.387   3.923  -3.509
  209    H    PHE  31           H        PHE  31   3.017   3.923  -0.136
  210    HA   PHE  31           HA       PHE  31   0.723   3.782   1.511
  211    HB2  PHE  31           2HB      PHE  31   1.823   2.120   2.763
  212    HB3  PHE  31           1HB      PHE  31   2.439   1.954   1.147
  213    HD1  PHE  31           2HD      PHE  31   3.420   3.747   4.261
  214    HD2  PHE  31           1HD      PHE  31   4.605   1.427   0.911
  215    HE1  PHE  31           2HE      PHE  31   5.719   3.680   5.132
  216    HE2  PHE  31           1HE      PHE  31   6.903   1.343   1.776
  217    HZ   PHE  31           HZ       PHE  31   7.465   2.472   3.889
  218    H    THR  32           H        THR  32   3.653   5.591   1.731
  219    HA   THR  32           HA       THR  32   3.250   6.107   4.529
  220    HB   THR  32           HB       THR  32   5.430   5.538   3.418
  221    HG1  THR  32           1HG      THR  32   6.570   6.944   4.865
  222   HG21  THR  32          3HG2      THR  32   5.310   8.461   2.627
  223   HG22  THR  32          1HG2      THR  32   5.327   7.075   1.534
  224   HG23  THR  32          2HG2      THR  32   6.740   7.431   2.525
  225    H    LYS  33           H        LYS  33   2.562   7.662   1.564
  226    HA   LYS  33           HA       LYS  33   2.314  10.297   2.708
  227    HB2  LYS  33           2HB      LYS  33   2.938  10.021   0.386
  228    HB3  LYS  33           1HB      LYS  33   1.448   9.158   0.054
  229    HG2  LYS  33           2HG      LYS  33   0.156  11.166   0.508
  230    HG3  LYS  33           1HG      LYS  33   1.637  12.044   0.888
  231    HD2  LYS  33           2HD      LYS  33   1.076  10.737  -1.770
  232    HD3  LYS  33           1HD      LYS  33   0.771  12.443  -1.421
  233    HE2  LYS  33           2HE      LYS  33   3.444  11.039  -1.313
  234    HE3  LYS  33           1HE      LYS  33   2.902  12.150  -2.569
  235    HZ1  LYS  33           3HZ      LYS  33   4.331  13.292  -1.037
  236    HZ2  LYS  33           1HZ      LYS  33   3.384  12.820   0.285
  237    HZ3  LYS  33           2HZ      LYS  33   2.761  13.893  -0.861
  238    H    VAL  34           H        VAL  34   0.079   7.775   1.563
  239    HA   VAL  34           HA       VAL  34  -2.236   9.285   2.192
  240    HB   VAL  34           HB       VAL  34  -3.453   7.392   1.464
  241   HG11  VAL  34          1HG1      VAL  34  -2.441   6.908  -0.709
  242   HG12  VAL  34          2HG1      VAL  34  -0.924   7.598  -0.135
  243   HG13  VAL  34          3HG1      VAL  34  -2.351   8.621  -0.300
  244   HG21  VAL  34          3HG2      VAL  34  -2.452   5.200   1.041
  245   HG22  VAL  34          1HG2      VAL  34  -2.337   5.655   2.742
  246   HG23  VAL  34          2HG2      VAL  34  -0.923   5.788   1.696
  247    H    GLY  35           H        GLY  35  -0.115   7.464   4.063
  248    HA2  GLY  35           2HA      GLY  35  -0.186   7.216   6.384
  249    HA3  GLY  35           1HA      GLY  35  -1.886   7.661   6.354
  250    H    LEU  36           H        LEU  36  -0.492   5.199   4.321
  251    HA   LEU  36           HA       LEU  36  -2.469   3.310   5.226
  252    HB2  LEU  36           2HB      LEU  36  -1.513   3.722   2.833
  253    HB3  LEU  36           1HB      LEU  36  -0.214   2.673   3.358
  254    HG   LEU  36           HG       LEU  36  -1.958   0.922   3.861
  255   HD11  LEU  36          1HD1      LEU  36  -4.136   1.169   2.794
  256   HD12  LEU  36          2HD1      LEU  36  -3.718   2.808   2.299
  257   HD13  LEU  36          3HD1      LEU  36  -3.886   2.421   4.010
  258   HD21  LEU  36          3HD2      LEU  36  -0.576   0.856   1.849
  259   HD22  LEU  36          1HD2      LEU  36  -1.735   1.887   1.012
  260   HD23  LEU  36          2HD2      LEU  36  -2.205   0.266   1.522
  261    H    ALA  37           H        ALA  37   0.814   4.027   5.912
  262    HA   ALA  37           HA       ALA  37   1.737   1.434   6.587
  263    HB1  ALA  37           1HB      ALA  37   2.825   4.070   7.548
  264    HB2  ALA  37           2HB      ALA  37   3.186   3.355   5.980
  265    HB3  ALA  37           3HB      ALA  37   3.677   2.530   7.460
  266    H    ALA  38           H        ALA  38  -0.134   3.767   8.336
  267    HA   ALA  38           HA       ALA  38   0.269   2.216  10.811
  268    HB1  ALA  38           1HB      ALA  38  -0.699   5.057  10.527
  269    HB2  ALA  38           2HB      ALA  38   0.923   4.563  11.008
  270    HB3  ALA  38           3HB      ALA  38  -0.456   4.190  12.042
  271    H    LYS  39           H        LYS  39  -1.516   1.479   8.648
  272    HA   LYS  39           HA       LYS  39  -4.190   2.111   9.550
  273    HB2  LYS  39           2HB      LYS  39  -3.098   0.404   7.327
  274    HB3  LYS  39           1HB      LYS  39  -4.812   0.433   7.720
  275    HG2  LYS  39           2HG      LYS  39  -3.211   2.879   7.010
  276    HG3  LYS  39           1HG      LYS  39  -4.137   1.927   5.848
  277    HD2  LYS  39           2HD      LYS  39  -6.161   2.311   7.257
  278    HD3  LYS  39           1HD      LYS  39  -5.198   3.400   8.254
  279    HE2  LYS  39           2HE      LYS  39  -4.878   4.906   6.446
  280    HE3  LYS  39           1HE      LYS  39  -5.543   3.753   5.288
  281    HZ1  LYS  39           3HZ      LYS  39  -7.092   4.961   7.513
  282    HZ2  LYS  39           1HZ      LYS  39  -7.694   3.980   6.268
  283    HZ3  LYS  39           2HZ      LYS  39  -7.106   5.532   5.922
  284    H    SER  40           H        SER  40  -5.659   0.689  10.395
  285    HA   SER  40           HA       SER  40  -4.539  -1.422  12.009
  286    HB2  SER  40           2HB      SER  40  -7.400  -0.469  11.767
  287    HB3  SER  40           1HB      SER  40  -6.750  -1.501  13.037
  288    HG   SER  40           HG       SER  40  -5.408   0.224  13.674
  289    HA   PRO  41           HA       PRO  41  -5.253  -5.092   9.805
  290    HB2  PRO  41           2HB      PRO  41  -7.425  -5.782  11.741
  291    HB3  PRO  41           1HB      PRO  41  -6.088  -6.776  11.150
  292    HG2  PRO  41           2HG      PRO  41  -5.959  -5.654  13.548
  293    HG3  PRO  41           1HG      PRO  41  -4.528  -5.718  12.502
  294    HD2  PRO  41           2HD      PRO  41  -6.272  -3.414  13.186
  295    HD3  PRO  41           1HD      PRO  41  -4.542  -3.446  12.802
  296    H    ALA  42           H        ALA  42  -8.384  -3.692  10.807
  297    HA   ALA  42           HA       ALA  42  -9.930  -5.014   8.861
  298    HB1  ALA  42           1HB      ALA  42 -10.506  -2.401  10.247
  299    HB2  ALA  42           2HB      ALA  42 -10.892  -4.005  10.868
  300    HB3  ALA  42           3HB      ALA  42 -11.680  -3.412   9.407
  301    H    ASP  43           H        ASP  43  -8.393  -1.816   8.835
  302    HA   ASP  43           HA       ASP  43  -9.462  -1.064   6.296
  303    HB2  ASP  43           2HB      ASP  43  -8.600   0.535   8.046
  304    HB3  ASP  43           1HB      ASP  43  -6.971   0.017   7.634
  305    H    ILE  44           H        ILE  44  -6.348  -2.317   7.407
  306    HA   ILE  44           HA       ILE  44  -5.132  -2.492   4.881
  307    HB   ILE  44           HB       ILE  44  -4.645  -3.866   7.502
  308   HG12  ILE  44          2HG1      ILE  44  -3.955  -1.559   7.351
  309   HG13  ILE  44          1HG1      ILE  44  -2.524  -2.586   7.379
  310   HG21  ILE  44          1HG2      ILE  44  -4.046  -5.518   5.829
  311   HG22  ILE  44          2HG2      ILE  44  -2.598  -4.856   6.589
  312   HG23  ILE  44          3HG2      ILE  44  -3.070  -4.322   4.975
  313   HD11  ILE  44          3HD1      ILE  44  -2.181  -0.855   5.782
  314   HD12  ILE  44          1HD1      ILE  44  -3.719  -1.201   4.995
  315   HD13  ILE  44          2HD1      ILE  44  -2.403  -2.371   4.910
  316    H    LYS  45           H        LYS  45  -7.406  -4.566   6.511
  317    HA   LYS  45           HA       LYS  45  -7.132  -6.878   4.936
  318    HB2  LYS  45           2HB      LYS  45  -8.416  -6.779   7.045
  319    HB3  LYS  45           1HB      LYS  45  -9.632  -5.795   6.242
  320    HG2  LYS  45           2HG      LYS  45 -10.358  -8.095   6.384
  321    HG3  LYS  45           1HG      LYS  45 -10.095  -7.635   4.700
  322    HD2  LYS  45           2HD      LYS  45  -7.827  -8.677   4.856
  323    HD3  LYS  45           1HD      LYS  45  -8.275  -9.278   6.453
  324    HE2  LYS  45           2HE      LYS  45  -9.648  -9.895   3.848
  325    HE3  LYS  45           1HE      LYS  45  -8.613 -10.990   4.764
  326    HZ1  LYS  45           3HZ      LYS  45 -10.947 -11.453   5.161
  327    HZ2  LYS  45           1HZ      LYS  45 -11.199  -9.870   5.699
  328    HZ3  LYS  45           2HZ      LYS  45 -10.203 -10.915   6.580
  329    H    LYS  46           H        LYS  46  -9.281  -4.043   4.523
  330    HA   LYS  46           HA       LYS  46 -10.293  -5.062   2.053
  331    HB2  LYS  46           2HB      LYS  46 -11.242  -2.773   1.720
  332    HB3  LYS  46           1HB      LYS  46 -11.711  -3.544   3.221
  333    HG2  LYS  46           2HG      LYS  46 -11.297  -1.390   3.887
  334    HG3  LYS  46           1HG      LYS  46  -9.765  -2.182   4.247
  335    HD2  LYS  46           2HD      LYS  46  -9.266  -0.100   3.205
  336    HD3  LYS  46           1HD      LYS  46  -8.925  -1.370   2.029
  337    HE2  LYS  46           2HE      LYS  46 -10.974  -0.929   0.869
  338    HE3  LYS  46           1HE      LYS  46 -11.499   0.190   2.125
  339    HZ1  LYS  46           3HZ      LYS  46  -9.263   0.561   0.214
  340    HZ2  LYS  46           1HZ      LYS  46  -9.538   1.577   1.537
  341    HZ3  LYS  46           2HZ      LYS  46 -10.692   1.455   0.306
  342    H    VAL  47           H        VAL  47  -7.506  -3.227   2.971
  343    HA   VAL  47           HA       VAL  47  -6.722  -2.351   0.407
  344    HB   VAL  47           HB       VAL  47  -5.000  -3.130   2.768
  345   HG11  VAL  47          1HG1      VAL  47  -3.213  -1.881   1.678
  346   HG12  VAL  47          2HG1      VAL  47  -4.252  -1.589   0.284
  347   HG13  VAL  47          3HG1      VAL  47  -3.737  -3.231   0.671
  348   HG21  VAL  47          3HG2      VAL  47  -5.915  -0.426   1.786
  349   HG22  VAL  47          1HG2      VAL  47  -4.838  -0.723   3.149
  350   HG23  VAL  47          2HG2      VAL  47  -6.515  -1.265   3.218
  351    H    PHE  48           H        PHE  48  -6.165  -5.341   2.187
  352    HA   PHE  48           HA       PHE  48  -4.679  -6.739   0.301
  353    HB2  PHE  48           2HB      PHE  48  -6.751  -7.750   2.248
  354    HB3  PHE  48           1HB      PHE  48  -5.689  -8.797   1.318
  355    HD1  PHE  48           1HD      PHE  48  -3.284  -6.762   1.619
  356    HD2  PHE  48           2HD      PHE  48  -5.958  -8.659   4.334
  357    HE1  PHE  48           1HE      PHE  48  -1.576  -6.646   3.379
  358    HE2  PHE  48           2HE      PHE  48  -4.252  -8.542   6.100
  359    HZ   PHE  48           HZ       PHE  48  -2.058  -7.536   5.623
  360    H    GLU  49           H        GLU  49  -8.116  -6.107   0.471
  361    HA   GLU  49           HA       GLU  49  -8.743  -7.776  -1.786
  362    HB2  GLU  49           2HB      GLU  49 -10.359  -5.572  -0.494
  363    HB3  GLU  49           1HB      GLU  49 -10.965  -6.732  -1.666
  364    HG2  GLU  49           2HG      GLU  49 -10.541  -8.544  -0.086
  365    HG3  GLU  49           1HG      GLU  49  -9.938  -7.374   1.089
  366    H    ILE  50           H        ILE  50  -7.441  -4.616  -1.419
  367    HA   ILE  50           HA       ILE  50  -8.476  -3.529  -3.848
  368    HB   ILE  50           HB       ILE  50  -5.975  -2.644  -2.405
  369   HG12  ILE  50          2HG1      ILE  50  -8.784  -1.553  -2.167
  370   HG13  ILE  50          1HG1      ILE  50  -8.038  -2.621  -0.982
  371   HG21  ILE  50          1HG2      ILE  50  -7.776  -1.213  -4.357
  372   HG22  ILE  50          2HG2      ILE  50  -6.163  -1.831  -4.706
  373   HG23  ILE  50          3HG2      ILE  50  -6.372  -0.520  -3.548
  374   HD11  ILE  50          3HD1      ILE  50  -7.236   0.176  -1.708
  375   HD12  ILE  50          1HD1      ILE  50  -6.225  -0.900  -0.744
  376   HD13  ILE  50          2HD1      ILE  50  -7.820  -0.424  -0.157
  377    H    ILE  51           H        ILE  51  -5.322  -5.059  -3.024
  378    HA   ILE  51           HA       ILE  51  -4.379  -4.919  -5.716
  379    HB   ILE  51           HB       ILE  51  -2.816  -6.871  -5.095
  380   HG12  ILE  51          2HG1      ILE  51  -4.501  -7.343  -3.023
  381   HG13  ILE  51          1HG1      ILE  51  -2.792  -7.761  -2.947
  382   HG21  ILE  51          1HG2      ILE  51  -2.733  -4.302  -3.513
  383   HG22  ILE  51          2HG2      ILE  51  -2.103  -4.576  -5.137
  384   HG23  ILE  51          3HG2      ILE  51  -1.378  -5.403  -3.759
  385   HD11  ILE  51          3HD1      ILE  51  -2.436  -5.500  -1.864
  386   HD12  ILE  51          1HD1      ILE  51  -3.312  -6.698  -0.919
  387   HD13  ILE  51          2HD1      ILE  51  -4.189  -5.393  -1.715
  388    H    ASP  52           H        ASP  52  -6.329  -7.156  -3.914
  389    HA   ASP  52           HA       ASP  52  -6.538  -9.039  -6.086
  390    HB2  ASP  52           2HB      ASP  52  -6.755  -9.588  -3.596
  391    HB3  ASP  52           1HB      ASP  52  -8.329  -8.818  -3.661
  392    H    GLN  53           H        GLN  53  -7.120  -6.845  -7.348
  393    HA   GLN  53           HA       GLN  53  -9.652  -5.676  -6.934
  394    HB2  GLN  53           2HB      GLN  53  -9.306  -4.597  -9.136
  395    HB3  GLN  53           1HB      GLN  53  -7.935  -4.424  -8.055
  396    HG2  GLN  53           2HG      GLN  53  -6.880  -4.908 -10.012
  397    HG3  GLN  53           1HG      GLN  53  -7.038  -6.519  -9.322
  398   HE21  GLN  53          1HE2      GLN  53  -9.690  -4.736 -10.753
  399   HE22  GLN  53          2HE2      GLN  53  -9.885  -5.761 -12.129
  400    H    ASP  54           H        ASP  54  -8.688  -8.481  -8.675
  401    HA   ASP  54           HA       ASP  54 -11.235  -8.703 -10.053
  402    HB2  ASP  54           2HB      ASP  54 -10.427 -10.779 -10.967
  403    HB3  ASP  54           1HB      ASP  54  -9.145  -9.583 -11.081
  404    H    LYS  55           H        LYS  55  -9.954  -9.474  -7.043
  405    HA   LYS  55           HA       LYS  55 -10.724 -10.470  -5.187
  406    HB2  LYS  55           2HB      LYS  55 -12.566  -8.844  -5.650
  407    HB3  LYS  55           1HB      LYS  55 -13.453 -10.141  -6.435
  408    HG2  LYS  55           2HG      LYS  55 -14.165  -9.686  -4.100
  409    HG3  LYS  55           1HG      LYS  55 -13.649 -11.348  -4.378
  410    HD2  LYS  55           2HD      LYS  55 -11.456  -9.631  -3.535
  411    HD3  LYS  55           1HD      LYS  55 -12.771  -9.671  -2.358
  412    HE2  LYS  55           2HE      LYS  55 -12.644 -12.042  -2.177
  413    HE3  LYS  55           1HE      LYS  55 -11.564 -12.155  -3.564
  414    HZ1  LYS  55           3HZ      LYS  55 -10.431 -12.406  -1.407
  415    HZ2  LYS  55           1HZ      LYS  55 -10.871 -10.820  -1.005
  416    HZ3  LYS  55           2HZ      LYS  55  -9.837 -11.103  -2.318
  417    H    SER  56           H        SER  56  -9.628 -12.328  -6.431
  418    HA   SER  56           HA       SER  56 -11.530 -14.589  -6.382
  419    HB2  SER  56           2HB      SER  56  -8.886 -14.604  -7.837
  420    HB3  SER  56           1HB      SER  56 -10.242 -15.715  -8.030
  421    HG   SER  56           HG       SER  56 -11.440 -13.958  -8.902
  422    H    ASP  57           H        ASP  57  -9.447 -13.032  -4.585
  423    HA   ASP  57           HA       ASP  57  -8.184 -13.449  -2.786
  424    HB2  ASP  57           2HB      ASP  57  -9.269 -16.227  -3.127
  425    HB3  ASP  57           1HB      ASP  57  -8.089 -15.841  -1.876
  426    H    PHE  58           H        PHE  58  -7.428 -14.060  -5.725
  427    HA   PHE  58           HA       PHE  58  -4.638 -14.490  -4.962
  428    HB2  PHE  58           2HB      PHE  58  -5.905 -15.555  -7.501
  429    HB3  PHE  58           1HB      PHE  58  -4.178 -15.582  -7.130
  430    HD1  PHE  58           1HD      PHE  58  -3.361 -16.989  -5.256
  431    HD2  PHE  58           2HD      PHE  58  -7.366 -17.208  -6.669
  432    HE1  PHE  58           1HE      PHE  58  -3.622 -19.177  -4.163
  433    HE2  PHE  58           2HE      PHE  58  -7.635 -19.395  -5.580
  434    HZ   PHE  58           HZ       PHE  58  -5.762 -20.384  -4.324
  435    H    VAL  59           H        VAL  59  -3.231 -13.082  -5.895
  436    HA   VAL  59           HA       VAL  59  -4.521 -10.813  -7.261
  437    HB   VAL  59           HB       VAL  59  -2.366 -10.774  -5.160
  438   HG11  VAL  59          1HG1      VAL  59  -2.423  -8.491  -5.179
  439   HG12  VAL  59          2HG1      VAL  59  -3.872  -8.428  -6.179
  440   HG13  VAL  59          3HG1      VAL  59  -2.335  -8.953  -6.874
  441   HG21  VAL  59          3HG2      VAL  59  -5.270 -10.062  -4.951
  442   HG22  VAL  59          1HG2      VAL  59  -4.059  -9.771  -3.704
  443   HG23  VAL  59          2HG2      VAL  59  -4.460 -11.422  -4.177
  444    H    GLU  60           H        GLU  60  -3.729 -11.653  -9.319
  445    HA   GLU  60           HA       GLU  60  -0.895 -12.067  -9.646
  446    HB2  GLU  60           2HB      GLU  60  -3.178 -12.081 -11.613
  447    HB3  GLU  60           1HB      GLU  60  -1.506 -12.328 -12.088
  448    HG2  GLU  60           2HG      GLU  60  -2.485 -14.461 -11.912
  449    HG3  GLU  60           1HG      GLU  60  -1.446 -14.270 -10.504
  450    H    GLU  61           H        GLU  61   0.110 -11.028 -11.707
  451    HA   GLU  61           HA       GLU  61   0.525  -8.308 -11.300
  452    HB2  GLU  61           2HB      GLU  61   2.063  -9.766 -12.526
  453    HB3  GLU  61           1HB      GLU  61   0.893  -9.928 -13.825
  454    HG2  GLU  61           2HG      GLU  61   1.081  -7.528 -14.273
  455    HG3  GLU  61           1HG      GLU  61   2.294  -7.398 -13.000
  456    H    ASP  62           H        ASP  62  -1.750  -9.939 -13.454
  457    HA   ASP  62           HA       ASP  62  -2.686  -7.731 -14.878
  458    HB2  ASP  62           2HB      ASP  62  -3.888 -10.359 -14.126
  459    HB3  ASP  62           1HB      ASP  62  -4.928  -9.120 -14.822
  460    H    GLU  63           H        GLU  63  -3.490  -8.872 -11.668
  461    HA   GLU  63           HA       GLU  63  -5.668  -7.110 -11.260
  462    HB2  GLU  63           2HB      GLU  63  -3.937  -8.741  -9.449
  463    HB3  GLU  63           1HB      GLU  63  -5.016  -7.532  -8.767
  464    HG2  GLU  63           2HG      GLU  63  -6.327  -9.387  -8.681
  465    HG3  GLU  63           1HG      GLU  63  -6.806  -8.710 -10.234
  466    H    LEU  64           H        LEU  64  -2.215  -6.912 -10.516
  467    HA   LEU  64           HA       LEU  64  -2.374  -4.523  -9.058
  468    HB2  LEU  64           2HB      LEU  64  -0.165  -5.992 -10.397
  469    HB3  LEU  64           1HB      LEU  64   0.121  -4.347  -9.864
  470    HG   LEU  64           HG       LEU  64   0.880  -5.886  -8.176
  471   HD11  LEU  64          1HD1      LEU  64  -0.153  -3.763  -7.475
  472   HD12  LEU  64          2HD1      LEU  64  -0.287  -5.037  -6.267
  473   HD13  LEU  64          3HD1      LEU  64  -1.682  -4.613  -7.257
  474   HD21  LEU  64          3HD2      LEU  64  -0.516  -7.800  -8.743
  475   HD22  LEU  64          1HD2      LEU  64  -1.937  -6.951  -8.135
  476   HD23  LEU  64          2HD2      LEU  64  -0.643  -7.410  -7.028
  477    H    LYS  65           H        LYS  65  -2.499  -5.132 -12.429
  478    HA   LYS  65           HA       LYS  65  -1.739  -2.596 -13.365
  479    HB2  LYS  65           2HB      LYS  65  -3.766  -4.520 -14.509
  480    HB3  LYS  65           1HB      LYS  65  -3.145  -3.110 -15.350
  481    HG2  LYS  65           2HG      LYS  65  -1.689  -5.616 -14.585
  482    HG3  LYS  65           1HG      LYS  65  -1.970  -4.951 -16.196
  483    HD2  LYS  65           2HD      LYS  65  -0.627  -2.909 -15.203
  484    HD3  LYS  65           1HD      LYS  65   0.005  -4.151 -14.120
  485    HE2  LYS  65           2HE      LYS  65   0.151  -4.077 -17.124
  486    HE3  LYS  65           1HE      LYS  65   1.482  -3.969 -15.976
  487    HZ1  LYS  65           3HZ      LYS  65   1.124  -6.233 -15.337
  488    HZ2  LYS  65           1HZ      LYS  65   1.292  -6.162 -17.017
  489    HZ3  LYS  65           2HZ      LYS  65  -0.240  -6.359 -16.330
  490    H    LEU  66           H        LEU  66  -4.947  -3.878 -12.503
  491    HA   LEU  66           HA       LEU  66  -6.000  -1.143 -12.633
  492    HB2  LEU  66           2HB      LEU  66  -7.481  -3.771 -12.556
  493    HB3  LEU  66           1HB      LEU  66  -8.236  -2.189 -12.624
  494    HG   LEU  66           HG       LEU  66  -8.318  -2.763 -14.834
  495   HD11  LEU  66          1HD1      LEU  66  -7.133  -0.679 -14.745
  496   HD12  LEU  66          2HD1      LEU  66  -6.462  -1.653 -16.054
  497   HD13  LEU  66          3HD1      LEU  66  -5.591  -1.508 -14.522
  498   HD21  LEU  66          3HD2      LEU  66  -6.616  -4.070 -16.015
  499   HD22  LEU  66          1HD2      LEU  66  -7.239  -4.924 -14.604
  500   HD23  LEU  66          2HD2      LEU  66  -5.660  -4.147 -14.537
  501    H    PHE  67           H        PHE  67  -4.646  -3.020 -10.415
  502    HA   PHE  67           HA       PHE  67  -6.166  -2.942  -8.119
  503    HB2  PHE  67           2HB      PHE  67  -4.144  -3.917  -7.684
  504    HB3  PHE  67           1HB      PHE  67  -3.277  -2.853  -8.780
  505    HD1  PHE  67           2HD      PHE  67  -4.781  -3.001  -5.389
  506    HD2  PHE  67           1HD      PHE  67  -1.989  -1.099  -7.969
  507    HE1  PHE  67           2HE      PHE  67  -3.855  -1.769  -3.473
  508    HE2  PHE  67           1HE      PHE  67  -1.056   0.134  -6.058
  509    HZ   PHE  67           HZ       PHE  67  -1.990  -0.199  -3.804
  510    H    LEU  68           H        LEU  68  -4.426  -0.383  -9.768
  511    HA   LEU  68           HA       LEU  68  -4.658   1.647  -7.838
  512    HB2  LEU  68           2HB      LEU  68  -4.599   1.987 -10.840
  513    HB3  LEU  68           1HB      LEU  68  -4.233   3.219  -9.655
  514    HG   LEU  68           HG       LEU  68  -2.170   2.557 -10.539
  515   HD11  LEU  68          1HD1      LEU  68  -2.529   1.067  -7.951
  516   HD12  LEU  68          2HD1      LEU  68  -2.136   2.777  -8.130
  517   HD13  LEU  68          3HD1      LEU  68  -0.988   1.548  -8.661
  518   HD21  LEU  68          3HD2      LEU  68  -3.069   0.439 -11.568
  519   HD22  LEU  68          1HD2      LEU  68  -2.786  -0.339 -10.009
  520   HD23  LEU  68          2HD2      LEU  68  -1.431   0.338 -10.910
  521    H    GLN  69           H        GLN  69  -6.665   0.737 -10.576
  522    HA   GLN  69           HA       GLN  69  -8.556   2.835 -10.211
  523    HB2  GLN  69           2HB      GLN  69  -8.735   0.255 -11.776
  524    HB3  GLN  69           1HB      GLN  69  -9.908   1.565 -11.861
  525    HG2  GLN  69           2HG      GLN  69  -8.163   3.067 -12.689
  526    HG3  GLN  69           1HG      GLN  69  -7.000   1.741 -12.615
  527   HE21  GLN  69          1HE2      GLN  69  -6.609   1.947 -14.827
  528   HE22  GLN  69          2HE2      GLN  69  -7.728   1.366 -16.008
  529    H    ASN  70           H        ASN  70  -7.972  -0.029  -8.565
  530    HA   ASN  70           HA       ASN  70 -10.744  -0.356  -7.703
  531    HB2  ASN  70           2HB      ASN  70  -9.292  -2.351  -8.113
  532    HB3  ASN  70           1HB      ASN  70  -8.276  -1.841  -6.770
  533   HD21  ASN  70          1HD2      ASN  70  -8.712  -3.817  -5.741
  534   HD22  ASN  70          2HD2      ASN  70 -10.219  -4.095  -4.934
  535    H    PHE  71           H        PHE  71  -7.649   0.816  -6.572
  536    HA   PHE  71           HA       PHE  71  -8.507   1.489  -3.932
  537    HB2  PHE  71           2HB      PHE  71  -6.078   1.356  -5.145
  538    HB3  PHE  71           1HB      PHE  71  -6.355   3.093  -5.201
  539    HD1  PHE  71           2HD      PHE  71  -7.655   3.690  -2.694
  540    HD2  PHE  71           1HD      PHE  71  -4.531   0.921  -3.519
  541    HE1  PHE  71           2HE      PHE  71  -6.889   3.864  -0.365
  542    HE2  PHE  71           1HE      PHE  71  -3.761   1.089  -1.187
  543    HZ   PHE  71           HZ       PHE  71  -4.940   2.565   0.393
  544    H    SER  72           H        SER  72  -8.138   3.232  -6.977
  545    HA   SER  72           HA       SER  72 -10.356   4.977  -6.287
  546    HB2  SER  72           2HB      SER  72  -7.641   6.071  -7.086
  547    HB3  SER  72           1HB      SER  72  -9.114   7.023  -6.907
  548    HG   SER  72           HG       SER  72  -8.604   5.514  -4.706
  549    H    ALA  73           H        ALA  73 -11.651   5.078  -8.004
  550    HA   ALA  73           HA       ALA  73 -11.185   3.507 -10.250
  551    HB1  ALA  73           1HB      ALA  73 -13.407   4.044  -9.408
  552    HB2  ALA  73           2HB      ALA  73 -13.263   4.407 -11.128
  553    HB3  ALA  73           3HB      ALA  73 -13.212   5.712  -9.945
  554    H    GLY  74           H        GLY  74 -10.508   6.904  -9.774
  555    HA2  GLY  74           2HA      GLY  74  -9.888   7.198 -12.631
  556    HA3  GLY  74           1HA      GLY  74 -10.058   8.513 -11.479
  557    H    ALA  75           H        ALA  75  -8.051   5.571 -11.776
  558    HA   ALA  75           HA       ALA  75  -5.725   7.248 -11.084
  559    HB1  ALA  75           1HB      ALA  75  -6.342   5.782  -9.232
  560    HB2  ALA  75           2HB      ALA  75  -4.772   5.347  -9.904
  561    HB3  ALA  75           3HB      ALA  75  -6.195   4.380 -10.290
  562    H    ARG  76           H        ARG  76  -3.637   6.327 -11.801
  563    HA   ARG  76           HA       ARG  76  -3.844   5.531 -14.564
  564    HB2  ARG  76           2HB      ARG  76  -1.401   6.237 -12.926
  565    HB3  ARG  76           1HB      ARG  76  -1.433   5.991 -14.667
  566    HG2  ARG  76           2HG      ARG  76  -1.526   8.263 -14.595
  567    HG3  ARG  76           1HG      ARG  76  -3.249   7.887 -14.575
  568    HD2  ARG  76           2HD      ARG  76  -3.002   7.931 -12.008
  569    HD3  ARG  76           1HD      ARG  76  -1.488   8.782 -12.323
  570    HE   ARG  76           HE       ARG  76  -3.992   9.778 -13.491
  571   HH11  ARG  76          1HH1      ARG  76  -1.287  10.256 -11.297
  572   HH12  ARG  76          2HH1      ARG  76  -1.662  11.929 -11.026
  573   HH21  ARG  76          1HH2      ARG  76  -4.462  11.950 -13.131
  574   HH22  ARG  76          2HH2      ARG  76  -3.468  12.890 -12.063
  575    H    ALA  77           H        ALA  77  -3.022   3.662 -15.443
  576    HA   ALA  77           HA       ALA  77  -2.693   1.456 -13.584
  577    HB1  ALA  77           1HB      ALA  77  -4.157   1.141 -15.503
  578    HB2  ALA  77           2HB      ALA  77  -2.781   0.038 -15.585
  579    HB3  ALA  77           3HB      ALA  77  -2.816   1.482 -16.598
  580    H    LEU  78           H        LEU  78  -0.790   0.893 -12.867
  581    HA   LEU  78           HA       LEU  78   1.680   1.862 -13.820
  582    HB2  LEU  78           2HB      LEU  78   0.819  -0.238 -11.881
  583    HB3  LEU  78           1HB      LEU  78   2.494  -0.206 -12.389
  584    HG   LEU  78           HG       LEU  78   2.812   1.986 -11.461
  585   HD11  LEU  78          1HD1      LEU  78   1.031   3.202 -10.308
  586   HD12  LEU  78          2HD1      LEU  78  -0.132   1.973 -10.803
  587   HD13  LEU  78          3HD1      LEU  78   0.651   2.984 -12.017
  588   HD21  LEU  78          3HD2      LEU  78   2.376   1.526  -9.104
  589   HD22  LEU  78          1HD2      LEU  78   2.983   0.096  -9.939
  590   HD23  LEU  78          2HD2      LEU  78   1.266   0.234  -9.559
  591    H    SER  79           H        SER  79   3.403   0.716 -14.883
  592    HA   SER  79           HA       SER  79   2.493  -1.619 -16.389
  593    HB2  SER  79           2HB      SER  79   3.567  -0.536 -18.441
  594    HB3  SER  79           1HB      SER  79   2.033   0.138 -17.894
  595    HG   SER  79           HG       SER  79   3.723   1.526 -16.570
  596    H    ASP  80           H        ASP  80   3.822  -3.206 -16.421
  597    HA   ASP  80           HA       ASP  80   5.673  -4.480 -16.528
  598    HB2  ASP  80           2HB      ASP  80   5.864  -3.315 -18.677
  599    HB3  ASP  80           1HB      ASP  80   6.841  -2.069 -17.908
  600    H    ALA  81           H        ALA  81   7.793  -1.715 -16.371
  601    HA   ALA  81           HA       ALA  81   9.384  -3.177 -14.578
  602    HB1  ALA  81           1HB      ALA  81  10.879  -1.260 -14.591
  603    HB2  ALA  81           2HB      ALA  81   9.621  -0.266 -15.321
  604    HB3  ALA  81           3HB      ALA  81  10.314  -1.611 -16.223
  605    H    GLU  82           H        GLU  82   7.128  -0.535 -14.127
  606    HA   GLU  82           HA       GLU  82   7.980  -0.016 -11.438
  607    HB2  GLU  82           2HB      GLU  82   6.114   1.567 -11.379
  608    HB3  GLU  82           1HB      GLU  82   7.099   1.786 -12.816
  609    HG2  GLU  82           2HG      GLU  82   5.340   0.239 -13.931
  610    HG3  GLU  82           1HG      GLU  82   4.334   0.719 -12.565
  611    H    THR  83           H        THR  83   5.265  -1.696 -13.003
  612    HA   THR  83           HA       THR  83   3.973  -2.486 -10.626
  613    HB   THR  83           HB       THR  83   4.067  -4.209 -13.090
  614    HG1  THR  83           1HG      THR  83   2.072  -2.359 -13.115
  615   HG21  THR  83          3HG2      THR  83   1.731  -4.636 -12.505
  616   HG22  THR  83          1HG2      THR  83   1.861  -3.521 -11.145
  617   HG23  THR  83          2HG2      THR  83   2.795  -5.017 -11.153
  618    H    LYS  84           H        LYS  84   6.645  -3.861 -12.462
  619    HA   LYS  84           HA       LYS  84   6.839  -6.352 -11.216
  620    HB2  LYS  84           2HB      LYS  84   8.024  -5.951 -13.242
  621    HB3  LYS  84           1HB      LYS  84   8.897  -4.596 -12.542
  622    HG2  LYS  84           2HG      LYS  84  10.153  -6.069 -11.125
  623    HG3  LYS  84           1HG      LYS  84   9.208  -7.460 -11.672
  624    HD2  LYS  84           2HD      LYS  84  10.023  -7.044 -13.975
  625    HD3  LYS  84           1HD      LYS  84  11.042  -5.749 -13.349
  626    HE2  LYS  84           2HE      LYS  84  12.225  -7.353 -11.944
  627    HE3  LYS  84           1HE      LYS  84  11.190  -8.647 -12.539
  628    HZ1  LYS  84           3HZ      LYS  84  13.040  -7.024 -14.192
  629    HZ2  LYS  84           1HZ      LYS  84  12.047  -8.267 -14.762
  630    HZ3  LYS  84           2HZ      LYS  84  13.309  -8.614 -13.691
  631    H    VAL  85           H        VAL  85   8.787  -3.433 -10.523
  632    HA   VAL  85           HA       VAL  85  10.046  -4.578  -8.260
  633    HB   VAL  85           HB       VAL  85  11.110  -2.757  -9.427
  634   HG11  VAL  85          1HG1      VAL  85   9.152  -1.585 -10.214
  635   HG12  VAL  85          2HG1      VAL  85  10.228  -0.473  -9.366
  636   HG13  VAL  85          3HG1      VAL  85   8.769  -1.068  -8.572
  637   HG21  VAL  85          3HG2      VAL  85  11.635  -2.966  -7.061
  638   HG22  VAL  85          1HG2      VAL  85  10.299  -1.892  -6.654
  639   HG23  VAL  85          2HG2      VAL  85  11.680  -1.277  -7.562
  640    H    PHE  86           H        PHE  86   7.080  -2.804  -8.700
  641    HA   PHE  86           HA       PHE  86   6.550  -2.311  -5.958
  642    HB2  PHE  86           2HB      PHE  86   5.448  -0.981  -7.598
  643    HB3  PHE  86           1HB      PHE  86   4.818  -2.389  -8.428
  644    HD1  PHE  86           1HD      PHE  86   4.740  -1.466  -4.817
  645    HD2  PHE  86           2HD      PHE  86   2.528  -2.196  -8.374
  646    HE1  PHE  86           1HE      PHE  86   2.643  -1.208  -3.559
  647    HE2  PHE  86           2HE      PHE  86   0.428  -1.943  -7.122
  648    HZ   PHE  86           HZ       PHE  86   0.482  -1.450  -4.712
  649    H    LEU  87           H        LEU  87   5.878  -5.008  -8.136
  650    HA   LEU  87           HA       LEU  87   4.259  -6.494  -6.349
  651    HB2  LEU  87           2HB      LEU  87   6.031  -7.349  -8.634
  652    HB3  LEU  87           1HB      LEU  87   5.056  -8.479  -7.718
  653    HG   LEU  87           HG       LEU  87   3.967  -6.167  -9.327
  654   HD11  LEU  87          1HD1      LEU  87   3.185  -7.892 -10.873
  655   HD12  LEU  87          2HD1      LEU  87   4.021  -9.121  -9.923
  656   HD13  LEU  87          3HD1      LEU  87   4.944  -7.872 -10.759
  657   HD21  LEU  87          3HD2      LEU  87   2.615  -8.413  -7.837
  658   HD22  LEU  87          1HD2      LEU  87   1.806  -7.342  -8.981
  659   HD23  LEU  87          2HD2      LEU  87   2.500  -6.686  -7.500
  660    H    LYS  88           H        LYS  88   7.728  -6.517  -7.030
  661    HA   LYS  88           HA       LYS  88   8.323  -8.635  -5.241
  662    HB2  LYS  88           2HB      LYS  88   9.690  -7.967  -7.207
  663    HB3  LYS  88           1HB      LYS  88  10.209  -6.540  -6.322
  664    HG2  LYS  88           2HG      LYS  88  11.913  -8.229  -6.195
  665    HG3  LYS  88           1HG      LYS  88  11.179  -8.038  -4.599
  666    HD2  LYS  88           2HD      LYS  88   9.837 -10.010  -4.926
  667    HD3  LYS  88           1HD      LYS  88  10.393 -10.154  -6.594
  668    HE2  LYS  88           2HE      LYS  88  11.545 -11.745  -5.150
  669    HE3  LYS  88           1HE      LYS  88  12.673 -10.554  -5.795
  670    HZ1  LYS  88           3HZ      LYS  88  11.461 -10.432  -3.086
  671    HZ2  LYS  88           1HZ      LYS  88  12.641  -9.393  -3.709
  672    HZ3  LYS  88           2HZ      LYS  88  13.010 -11.018  -3.420
  673    H    ALA  89           H        ALA  89   7.791  -5.284  -4.780
  674    HA   ALA  89           HA       ALA  89   9.209  -4.803  -2.411
  675    HB1  ALA  89           1HB      ALA  89   6.502  -3.728  -3.208
  676    HB2  ALA  89           2HB      ALA  89   8.058  -3.035  -3.667
  677    HB3  ALA  89           3HB      ALA  89   7.562  -3.052  -1.973
  678    H    GLY  90           H        GLY  90   6.403  -6.667  -3.096
  679    HA2  GLY  90           2HA      GLY  90   5.993  -7.113  -0.202
  680    HA3  GLY  90           1HA      GLY  90   4.675  -7.110  -1.369
  681    H    ASP  91           H        ASP  91   5.325  -8.638  -3.349
  682    HA   ASP  91           HA       ASP  91   5.201 -11.271  -2.325
  683    HB2  ASP  91           2HB      ASP  91   4.342 -10.381  -4.576
  684    HB3  ASP  91           1HB      ASP  91   5.996 -10.612  -5.145
  685    H    SER  92           H        SER  92   6.898 -12.265  -1.374
  686    HA   SER  92           HA       SER  92   9.554 -11.201  -1.868
  687    HB2  SER  92           2HB      SER  92  10.184 -12.676   0.072
  688    HB3  SER  92           1HB      SER  92   8.946 -11.479   0.446
  689    HG   SER  92           HG       SER  92   7.377 -13.179   0.087
  690    H    ASP  93           H        ASP  93   7.645 -13.948  -2.605
  691    HA   ASP  93           HA       ASP  93   9.921 -15.605  -3.288
  692    HB2  ASP  93           2HB      ASP  93   8.305 -17.309  -3.892
  693    HB3  ASP  93           1HB      ASP  93   7.885 -16.617  -2.332
  694    H    GLY  94           H        GLY  94   7.735 -13.456  -4.899
  695    HA2  GLY  94           2HA      GLY  94   8.143 -12.338  -6.880
  696    HA3  GLY  94           1HA      GLY  94   9.555 -13.352  -7.126
  697    H    ASP  95           H        ASP  95   6.126 -14.237  -6.737
  698    HA   ASP  95           HA       ASP  95   6.440 -15.875  -9.149
  699    HB2  ASP  95           2HB      ASP  95   4.592 -17.204  -8.391
  700    HB3  ASP  95           1HB      ASP  95   5.701 -16.986  -7.046
  701    H    GLY  96           H        GLY  96   5.755 -12.890  -8.935
  702    HA2  GLY  96           2HA      GLY  96   4.820 -11.560 -10.588
  703    HA3  GLY  96           1HA      GLY  96   4.088 -12.996 -11.283
  704    H    LYS  97           H        LYS  97   3.636 -12.080  -7.950
  705    HA   LYS  97           HA       LYS  97   0.961 -10.983  -8.475
  706    HB2  LYS  97           2HB      LYS  97  -0.147 -12.529  -7.023
  707    HB3  LYS  97           1HB      LYS  97   0.758 -13.497  -8.180
  708    HG2  LYS  97           2HG      LYS  97   2.102 -14.360  -6.608
  709    HG3  LYS  97           1HG      LYS  97   2.189 -12.858  -5.669
  710    HD2  LYS  97           2HD      LYS  97   1.065 -14.555  -4.379
  711    HD3  LYS  97           1HD      LYS  97  -0.113 -13.333  -4.856
  712    HE2  LYS  97           2HE      LYS  97  -0.997 -14.746  -6.561
  713    HE3  LYS  97           1HE      LYS  97   0.314 -15.906  -6.356
  714    HZ1  LYS  97           3HZ      LYS  97  -1.647 -16.724  -5.288
  715    HZ2  LYS  97           1HZ      LYS  97  -1.825 -15.299  -4.389
  716    HZ3  LYS  97           2HZ      LYS  97  -0.517 -16.328  -4.097
  717    H    ILE  98           H        ILE  98  -0.034 -10.380  -6.360
  718    HA   ILE  98           HA       ILE  98   2.012  -9.691  -4.373
  719    HB   ILE  98           HB       ILE  98  -0.573  -8.354  -5.098
  720   HG12  ILE  98          2HG1      ILE  98   1.473  -7.541  -6.154
  721   HG13  ILE  98          1HG1      ILE  98   0.822  -6.334  -5.054
  722   HG21  ILE  98          1HG2      ILE  98  -0.695  -8.720  -2.704
  723   HG22  ILE  98          2HG2      ILE  98  -0.424  -7.014  -3.056
  724   HG23  ILE  98          3HG2      ILE  98   0.912  -8.023  -2.503
  725   HD11  ILE  98          3HD1      ILE  98   2.468  -7.163  -3.347
  726   HD12  ILE  98          1HD1      ILE  98   3.156  -6.346  -4.750
  727   HD13  ILE  98          2HD1      ILE  98   3.209  -8.103  -4.643
  728    H    GLY  99           H        GLY  99   2.036 -11.445  -3.076
  729    HA2  GLY  99           2HA      GLY  99  -0.221 -12.842  -2.164
  730    HA3  GLY  99           1HA      GLY  99   1.301 -12.684  -1.286
  731    H    VAL 100           H        VAL 100  -1.672 -12.405  -0.570
  732    HA   VAL 100           HA       VAL 100  -2.261  -9.766   0.055
  733    HB   VAL 100           HB       VAL 100  -3.119 -12.405   1.113
  734   HG11  VAL 100          1HG1      VAL 100  -4.001  -9.773   2.277
  735   HG12  VAL 100          2HG1      VAL 100  -3.097 -11.035   3.115
  736   HG13  VAL 100          3HG1      VAL 100  -4.756 -11.334   2.593
  737   HG21  VAL 100          3HG2      VAL 100  -5.282 -11.652   0.220
  738   HG22  VAL 100          1HG2      VAL 100  -4.005 -11.608  -0.997
  739   HG23  VAL 100          2HG2      VAL 100  -4.542 -10.115  -0.229
  740    H    ASP 101           H        ASP 101  -0.671 -12.231   2.057
  741    HA   ASP 101           HA       ASP 101  -0.116 -10.465   4.216
  742    HB2  ASP 101           2HB      ASP 101  -0.171 -12.918   4.457
  743    HB3  ASP 101           1HB      ASP 101   1.254 -13.046   3.433
  744    H    GLU 102           H        GLU 102   1.533 -11.379   1.284
  745    HA   GLU 102           HA       GLU 102   4.064 -10.280   1.740
  746    HB2  GLU 102           2HB      GLU 102   2.533 -10.427  -0.871
  747    HB3  GLU 102           1HB      GLU 102   4.265 -10.187  -0.714
  748    HG2  GLU 102           2HG      GLU 102   2.800 -12.648   0.213
  749    HG3  GLU 102           1HG      GLU 102   3.606 -12.492  -1.345
  750    H    PHE 103           H        PHE 103   1.088  -8.810   0.476
  751    HA   PHE 103           HA       PHE 103   2.230  -6.305  -0.186
  752    HB2  PHE 103           2HB      PHE 103  -0.021  -7.249  -0.957
  753    HB3  PHE 103           1HB      PHE 103  -0.654  -6.711   0.593
  754    HD1  PHE 103           1HD      PHE 103   1.130  -5.493  -2.425
  755    HD2  PHE 103           2HD      PHE 103  -1.408  -4.526   0.845
  756    HE1  PHE 103           1HE      PHE 103   0.793  -3.246  -3.361
  757    HE2  PHE 103           2HE      PHE 103  -1.753  -2.274  -0.088
  758    HZ   PHE 103           HZ       PHE 103  -0.652  -1.631  -2.192
  759    H    GLY 104           H        GLY 104   0.472  -7.439   2.679
  760    HA2  GLY 104           2HA      GLY 104   0.394  -5.048   4.112
  761    HA3  GLY 104           1HA      GLY 104   0.453  -6.650   4.837
  762    H    ALA 105           H        ALA 105   2.993  -7.341   3.665
  763    HA   ALA 105           HA       ALA 105   4.734  -6.314   5.642
  764    HB1  ALA 105           1HB      ALA 105   5.401  -7.822   3.119
  765    HB2  ALA 105           2HB      ALA 105   4.998  -8.543   4.677
  766    HB3  ALA 105           3HB      ALA 105   6.470  -7.586   4.501
  767    H    MET 106           H        MET 106   4.108  -5.371   2.297
  768    HA   MET 106           HA       MET 106   6.474  -3.709   2.198
  769    HB2  MET 106           2HB      MET 106   6.121  -3.530  -0.029
  770    HB3  MET 106           1HB      MET 106   5.032  -4.883   0.227
  771    HG2  MET 106           2HG      MET 106   3.138  -3.501   0.182
  772    HG3  MET 106           1HG      MET 106   4.097  -2.037   0.365
  773    HE1  MET 106           3HE      MET 106   2.926  -4.890  -1.966
  774    HE2  MET 106           1HE      MET 106   4.669  -5.139  -2.069
  775    HE3  MET 106           2HE      MET 106   3.775  -4.559  -3.476
  776    H    ILE 107           H        ILE 107   3.208  -3.372   3.191
  777    HA   ILE 107           HA       ILE 107   3.064  -0.509   2.924
  778    HB   ILE 107           HB       ILE 107   1.388  -2.345   4.661
  779   HG12  ILE 107          2HG1      ILE 107   0.811  -1.287   1.884
  780   HG13  ILE 107          1HG1      ILE 107   1.298  -2.940   2.251
  781   HG21  ILE 107          1HG2      ILE 107   1.265  -0.022   5.339
  782   HG22  ILE 107          2HG2      ILE 107  -0.251  -0.531   4.600
  783   HG23  ILE 107          3HG2      ILE 107   0.885   0.461   3.687
  784   HD11  ILE 107          3HD1      ILE 107  -1.214  -1.590   3.205
  785   HD12  ILE 107          1HD1      ILE 107  -0.730  -3.248   3.563
  786   HD13  ILE 107          2HD1      ILE 107  -1.096  -2.775   1.904
  787    H    LYS 108           H        LYS 108   3.829  -2.859   5.354
  788    HA   LYS 108           HA       LYS 108   4.296  -0.904   7.428
  789    HB2  LYS 108           2HB      LYS 108   3.348  -3.022   8.043
  790    HB3  LYS 108           1HB      LYS 108   4.639  -3.900   7.244
  791    HG2  LYS 108           2HG      LYS 108   5.277  -2.080   9.525
  792    HG3  LYS 108           1HG      LYS 108   4.597  -3.676   9.835
  793    HD2  LYS 108           2HD      LYS 108   7.082  -3.157   8.208
  794    HD3  LYS 108           1HD      LYS 108   7.076  -3.617   9.911
  795    HE2  LYS 108           2HE      LYS 108   6.004  -5.722   9.373
  796    HE3  LYS 108           1HE      LYS 108   5.882  -5.255   7.677
  797    HZ1  LYS 108           3HZ      LYS 108   7.746  -6.727   8.027
  798    HZ2  LYS 108           1HZ      LYS 108   8.401  -5.680   9.183
  799    HZ3  LYS 108           2HZ      LYS 108   8.300  -5.193   7.565
  800    H    ALA 109           H        ALA 109   6.059  -2.623   5.017
  801    HA   ALA 109           HA       ALA 109   8.191  -2.616   4.291
  802    HB1  ALA 109           1HB      ALA 109   9.544  -0.628   4.635
  803    HB2  ALA 109           2HB      ALA 109   8.459  -0.088   5.915
  804    HB3  ALA 109           3HB      ALA 109   7.881  -0.181   4.252
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1 -19.535   9.443  -4.286
    2    H2   MET   1           2HT      MET   1 -20.857   8.580  -4.875
    3    H3   MET   1           3HT      MET   1 -19.391   8.556  -5.717
    4    HA   MET   1           HA       MET   1 -19.863   7.436  -3.022
    5    HB2  MET   1           2HB      MET   1 -19.414   6.103  -5.699
    6    HB3  MET   1           1HB      MET   1 -19.391   5.261  -4.157
    7    HG2  MET   1           2HG      MET   1 -21.742   6.736  -5.318
    8    HG3  MET   1           1HG      MET   1 -21.517   4.988  -5.313
    9    HE1  MET   1           2HE      MET   1 -24.133   6.428  -4.208
   10    HE2  MET   1           3HE      MET   1 -24.412   5.530  -2.716
   11    HE3  MET   1           1HE      MET   1 -23.916   4.678  -4.178
   12    H    ALA   2           H        ALA   2 -18.055   6.397  -2.097
   13    HA   ALA   2           HA       ALA   2 -15.458   7.020  -3.325
   14    HB1  ALA   2           1HB      ALA   2 -15.909   8.751  -1.662
   15    HB2  ALA   2           2HB      ALA   2 -14.585   7.710  -1.140
   16    HB3  ALA   2           3HB      ALA   2 -16.191   7.514  -0.438
   17    H    PHE   3           H        PHE   3 -13.682   5.788  -2.221
   18    HA   PHE   3           HA       PHE   3 -14.528   3.032  -1.918
   19    HB2  PHE   3           2HB      PHE   3 -11.744   4.225  -1.958
   20    HB3  PHE   3           1HB      PHE   3 -12.134   2.511  -2.053
   21    HD1  PHE   3           2HD      PHE   3 -12.208   5.716  -3.841
   22    HD2  PHE   3           1HD      PHE   3 -12.907   1.526  -4.096
   23    HE1  PHE   3           2HE      PHE   3 -12.341   5.891  -6.290
   24    HE2  PHE   3           1HE      PHE   3 -13.037   1.694  -6.547
   25    HZ   PHE   3           HZ       PHE   3 -12.756   3.879  -7.646
   26    H    ALA   4           H        ALA   4 -15.530   4.314   0.129
   27    HA   ALA   4           HA       ALA   4 -15.751   4.354   2.377
   28    HB1  ALA   4           1HB      ALA   4 -13.282   2.626   2.447
   29    HB2  ALA   4           2HB      ALA   4 -14.945   2.047   2.364
   30    HB3  ALA   4           3HB      ALA   4 -14.385   2.920   3.791
   31    H    GLY   5           H        GLY   5 -15.194   5.713   4.015
   32    HA2  GLY   5           2HA      GLY   5 -13.314   7.776   3.432
   33    HA3  GLY   5           1HA      GLY   5 -14.227   7.593   4.926
   34    H    ILE   6           H        ILE   6 -12.695   4.742   4.409
   35    HA   ILE   6           HA       ILE   6 -10.669   4.922   6.301
   36    HB   ILE   6           HB       ILE   6 -10.882   3.174   3.843
   37   HG12  ILE   6          2HG1      ILE   6 -11.480   2.593   6.751
   38   HG13  ILE   6          1HG1      ILE   6 -12.688   2.935   5.518
   39   HG21  ILE   6          1HG2      ILE   6  -9.017   2.883   6.193
   40   HG22  ILE   6          2HG2      ILE   6  -8.559   3.295   4.540
   41   HG23  ILE   6          3HG2      ILE   6  -9.232   1.705   4.898
   42   HD11  ILE   6          3HD1      ILE   6 -12.533   0.561   5.954
   43   HD12  ILE   6          1HD1      ILE   6 -10.815   0.584   5.560
   44   HD13  ILE   6          2HD1      ILE   6 -12.010   0.926   4.310
   45    H    LEU   7           H        LEU   7 -10.735   5.631   2.871
   46    HA   LEU   7           HA       LEU   7  -8.114   6.927   3.138
   47    HB2  LEU   7           2HB      LEU   7  -7.664   6.374   0.794
   48    HB3  LEU   7           1HB      LEU   7  -7.831   4.940   1.791
   49    HG   LEU   7           HG       LEU   7 -10.339   5.060   0.896
   50   HD11  LEU   7          1HD1      LEU   7 -10.409   5.753  -1.439
   51   HD12  LEU   7          2HD1      LEU   7  -8.751   6.342  -1.319
   52   HD13  LEU   7          3HD1      LEU   7 -10.031   7.110  -0.379
   53   HD21  LEU   7          3HD2      LEU   7  -8.019   3.972  -0.684
   54   HD22  LEU   7          1HD2      LEU   7  -9.703   3.475  -0.845
   55   HD23  LEU   7          2HD2      LEU   7  -8.833   3.168   0.657
   56    H    ASN   8           H        ASN   8  -7.808   8.783   1.800
   57    HA   ASN   8           HA       ASN   8 -10.322  10.087   1.001
   58    HB2  ASN   8           2HB      ASN   8  -7.554  11.147   1.603
   59    HB3  ASN   8           1HB      ASN   8  -8.771  12.124   0.794
   60   HD21  ASN   8          1HD2      ASN   8  -9.516   9.816   3.323
   61   HD22  ASN   8          2HD2      ASN   8  -9.959  10.987   4.515
   62    H    ASP   9           H        ASP   9 -10.784  10.113  -1.109
   63    HA   ASP   9           HA       ASP   9  -9.230   8.915  -3.083
   64    HB2  ASP   9           2HB      ASP   9 -11.592   9.273  -3.438
   65    HB3  ASP   9           1HB      ASP   9 -11.389  11.017  -3.336
   66    H    ALA  10           H        ALA  10  -9.214  12.156  -1.849
   67    HA   ALA  10           HA       ALA  10  -7.624  13.304  -3.926
   68    HB1  ALA  10           1HB      ALA  10  -9.090  14.657  -2.533
   69    HB2  ALA  10           2HB      ALA  10  -7.420  15.200  -2.384
   70    HB3  ALA  10           3HB      ALA  10  -8.151  14.230  -1.104
   71    H    ASP  11           H        ASP  11  -6.917  11.676  -0.873
   72    HA   ASP  11           HA       ASP  11  -4.170  12.564  -0.875
   73    HB2  ASP  11           2HB      ASP  11  -4.039  11.793   1.268
   74    HB3  ASP  11           1HB      ASP  11  -5.791  11.865   1.139
   75    H    ILE  12           H        ILE  12  -5.930   9.614  -1.495
   76    HA   ILE  12           HA       ILE  12  -3.782   7.996  -2.274
   77    HB   ILE  12           HB       ILE  12  -6.696   8.031  -2.783
   78   HG12  ILE  12          2HG1      ILE  12  -6.554   5.749  -1.962
   79   HG13  ILE  12          1HG1      ILE  12  -4.800   5.788  -2.068
   80   HG21  ILE  12          1HG2      ILE  12  -4.828   6.407  -4.507
   81   HG22  ILE  12          2HG2      ILE  12  -5.933   7.670  -5.049
   82   HG23  ILE  12          3HG2      ILE  12  -6.570   6.162  -4.392
   83   HD11  ILE  12          3HD1      ILE  12  -6.448   7.516  -0.247
   84   HD12  ILE  12          1HD1      ILE  12  -4.690   7.409  -0.299
   85   HD13  ILE  12          2HD1      ILE  12  -5.641   6.018   0.222
   86    H    THR  13           H        THR  13  -5.771  10.227  -4.207
   87    HA   THR  13           HA       THR  13  -4.440   9.800  -6.653
   88    HB   THR  13           HB       THR  13  -5.964  12.237  -5.699
   89    HG1  THR  13           1HG      THR  13  -7.329  10.479  -5.761
   90   HG21  THR  13          3HG2      THR  13  -5.241  11.421  -8.518
   91   HG22  THR  13          1HG2      THR  13  -4.524  12.761  -7.621
   92   HG23  THR  13          2HG2      THR  13  -6.233  12.804  -8.048
   93    H    ALA  14           H        ALA  14  -3.745  11.881  -3.915
   94    HA   ALA  14           HA       ALA  14  -1.885  13.593  -5.121
   95    HB1  ALA  14           1HB      ALA  14  -1.941  12.632  -2.264
   96    HB2  ALA  14           2HB      ALA  14  -2.850  13.998  -2.909
   97    HB3  ALA  14           3HB      ALA  14  -1.088  14.050  -2.869
   98    H    ALA  15           H        ALA  15  -1.413  10.467  -3.480
   99    HA   ALA  15           HA       ALA  15   1.404  10.439  -3.883
  100    HB1  ALA  15           1HB      ALA  15   0.354   9.107  -2.130
  101    HB2  ALA  15           2HB      ALA  15   1.305   8.095  -3.222
  102    HB3  ALA  15           3HB      ALA  15  -0.455   8.127  -3.352
  103    H    LEU  16           H        LEU  16  -1.341   9.160  -5.702
  104    HA   LEU  16           HA       LEU  16   0.225   7.750  -7.604
  105    HB2  LEU  16           2HB      LEU  16  -2.609   8.781  -7.741
  106    HB3  LEU  16           1HB      LEU  16  -1.871   7.790  -8.983
  107    HG   LEU  16           HG       LEU  16  -2.176   6.917  -6.113
  108   HD11  LEU  16          1HD1      LEU  16  -4.022   5.532  -6.910
  109   HD12  LEU  16          2HD1      LEU  16  -3.893   6.280  -8.501
  110   HD13  LEU  16          3HD1      LEU  16  -4.366   7.250  -7.107
  111   HD21  LEU  16          3HD2      LEU  16  -0.385   5.790  -7.309
  112   HD22  LEU  16          1HD2      LEU  16  -1.484   5.417  -8.637
  113   HD23  LEU  16          2HD2      LEU  16  -1.738   4.689  -7.051
  114    H    ALA  17           H        ALA  17  -0.678  11.065  -7.255
  115    HA   ALA  17           HA       ALA  17   0.061  11.845  -9.916
  116    HB1  ALA  17           1HB      ALA  17  -0.245  13.513  -7.419
  117    HB2  ALA  17           2HB      ALA  17  -1.512  13.175  -8.598
  118    HB3  ALA  17           3HB      ALA  17  -0.106  14.129  -9.065
  119    H    ALA  18           H        ALA  18   1.655  11.451  -6.844
  120    HA   ALA  18           HA       ALA  18   4.057  12.829  -7.543
  121    HB1  ALA  18           1HB      ALA  18   3.561  10.758  -5.401
  122    HB2  ALA  18           2HB      ALA  18   3.416  12.505  -5.209
  123    HB3  ALA  18           3HB      ALA  18   4.990  11.782  -5.533
  124    H    CYS  19           H        CYS  19   2.842   9.577  -7.872
  125    HA   CYS  19           HA       CYS  19   5.396   8.709  -9.018
  126    HB2  CYS  19           2HB      CYS  19   4.438   6.437  -8.923
  127    HB3  CYS  19           1HB      CYS  19   4.447   7.214  -7.344
  128    HG   CYS  19           HG       CYS  19   1.663   7.145  -9.319
  129    H    LYS  20           H        LYS  20   3.314  10.515 -10.277
  130    HA   LYS  20           HA       LYS  20   2.129   9.062 -12.410
  131    HB2  LYS  20           2HB      LYS  20   1.301  11.253 -11.574
  132    HB3  LYS  20           1HB      LYS  20   2.743  12.017 -12.225
  133    HG2  LYS  20           2HG      LYS  20   2.090  11.352 -14.471
  134    HG3  LYS  20           1HG      LYS  20   0.652  10.568 -13.823
  135    HD2  LYS  20           2HD      LYS  20   0.069  12.748 -14.705
  136    HD3  LYS  20           1HD      LYS  20  -0.112  12.745 -12.951
  137    HE2  LYS  20           2HE      LYS  20   2.039  13.867 -12.717
  138    HE3  LYS  20           1HE      LYS  20   2.262  13.832 -14.464
  139    HZ1  LYS  20           3HZ      LYS  20   1.466  15.981 -13.730
  140    HZ2  LYS  20           1HZ      LYS  20   0.109  15.271 -13.019
  141    HZ3  LYS  20           2HZ      LYS  20   0.299  15.231 -14.696
  142    H    ALA  21           H        ALA  21   5.138  10.784 -11.962
  143    HA   ALA  21           HA       ALA  21   5.994  10.514 -14.691
  144    HB1  ALA  21           1HB      ALA  21   7.559  11.229 -12.215
  145    HB2  ALA  21           2HB      ALA  21   6.770  12.368 -13.303
  146    HB3  ALA  21           3HB      ALA  21   8.122  11.393 -13.876
  147    H    GLU  22           H        GLU  22   7.316   8.972 -15.560
  148    HA   GLU  22           HA       GLU  22   7.390   6.430 -14.357
  149    HB2  GLU  22           2HB      GLU  22   8.806   5.759 -16.234
  150    HB3  GLU  22           1HB      GLU  22   7.436   6.714 -16.784
  151    HG2  GLU  22           2HG      GLU  22   8.848   8.653 -17.047
  152    HG3  GLU  22           1HG      GLU  22  10.226   7.771 -16.388
  153    H    GLY  23           H        GLY  23   8.843   5.437 -13.094
  154    HA2  GLY  23           2HA      GLY  23  10.918   5.088 -12.050
  155    HA3  GLY  23           1HA      GLY  23  11.469   6.634 -12.679
  156    H    SER  24           H        SER  24   8.827   7.794 -11.684
  157    HA   SER  24           HA       SER  24   9.863   8.491  -9.062
  158    HB2  SER  24           2HB      SER  24   9.038  10.226 -10.676
  159    HB3  SER  24           1HB      SER  24   7.415   9.567 -10.493
  160    HG   SER  24           HG       SER  24   7.234  10.504  -8.609
  161    H    PHE  25           H        PHE  25   8.428   5.897  -9.913
  162    HA   PHE  25           HA       PHE  25   6.134   5.819  -8.184
  163    HB2  PHE  25           2HB      PHE  25   7.630   3.675  -9.690
  164    HB3  PHE  25           1HB      PHE  25   6.252   3.333  -8.648
  165    HD1  PHE  25           1HD      PHE  25   7.338   5.009 -11.746
  166    HD2  PHE  25           2HD      PHE  25   4.031   3.772  -9.370
  167    HE1  PHE  25           1HE      PHE  25   5.819   5.449 -13.633
  168    HE2  PHE  25           2HE      PHE  25   2.509   4.210 -11.252
  169    HZ   PHE  25           HZ       PHE  25   3.403   5.049 -13.387
  170    H    ASP  26           H        ASP  26   6.746   6.259  -6.120
  171    HA   ASP  26           HA       ASP  26   8.715   4.437  -4.923
  172    HB2  ASP  26           2HB      ASP  26   7.659   7.115  -4.021
  173    HB3  ASP  26           1HB      ASP  26   8.557   6.048  -2.948
  174    H    HIS  27           H        HIS  27   7.436   2.643  -4.675
  175    HA   HIS  27           HA       HIS  27   4.832   2.520  -3.788
  176    HB2  HIS  27           2HB      HIS  27   5.126   0.228  -3.459
  177    HB3  HIS  27           1HB      HIS  27   6.406   0.606  -4.599
  178    HD1  HIS  27           1HD      HIS  27   5.792  -0.911  -1.349
  179    HD2  HIS  27           2HD      HIS  27   9.045   0.762  -3.326
  180    HE1  HIS  27           1HE      HIS  27   7.820  -1.671  -0.074
  181    HE2  HIS  27           2HE      HIS  27   9.777  -0.627  -1.269
  182    H    LYS  28           H        LYS  28   7.721   2.978  -1.961
  183    HA   LYS  28           HA       LYS  28   6.545   2.432   0.591
  184    HB2  LYS  28           2HB      LYS  28   8.930   2.102  -0.013
  185    HB3  LYS  28           1HB      LYS  28   9.086   3.851  -0.130
  186    HG2  LYS  28           2HG      LYS  28   8.796   4.165   2.174
  187    HG3  LYS  28           1HG      LYS  28   8.170   2.533   2.400
  188    HD2  LYS  28           2HD      LYS  28  10.364   1.606   1.881
  189    HD3  LYS  28           1HD      LYS  28  10.994   3.230   1.600
  190    HE2  LYS  28           2HE      LYS  28  11.580   2.337   3.827
  191    HE3  LYS  28           1HE      LYS  28  10.633   3.818   3.907
  192    HZ1  LYS  28           3HZ      LYS  28   9.610   1.054   4.309
  193    HZ2  LYS  28           1HZ      LYS  28   8.658   2.456   4.320
  194    HZ3  LYS  28           2HZ      LYS  28   9.835   2.227   5.507
  195    H    ALA  29           H        ALA  29   7.644   5.365  -1.108
  196    HA   ALA  29           HA       ALA  29   6.791   7.228   0.797
  197    HB1  ALA  29           1HB      ALA  29   8.287   7.779  -1.082
  198    HB2  ALA  29           2HB      ALA  29   6.921   8.886  -0.958
  199    HB3  ALA  29           3HB      ALA  29   6.922   7.623  -2.188
  200    H    PHE  30           H        PHE  30   5.108   5.568  -1.776
  201    HA   PHE  30           HA       PHE  30   2.684   6.917  -1.805
  202    HB2  PHE  30           2HB      PHE  30   3.319   5.092  -3.353
  203    HB3  PHE  30           1HB      PHE  30   3.160   3.934  -2.039
  204    HD1  PHE  30           2HD      PHE  30   1.388   6.064  -4.406
  205    HD2  PHE  30           1HD      PHE  30   0.974   3.255  -1.238
  206    HE1  PHE  30           2HE      PHE  30  -0.979   5.758  -4.990
  207    HE2  PHE  30           1HE      PHE  30  -1.395   2.942  -1.821
  208    HZ   PHE  30           HZ       PHE  30  -2.373   4.197  -3.700
  209    H    PHE  31           H        PHE  31   3.586   4.091   0.181
  210    HA   PHE  31           HA       PHE  31   1.165   3.990   1.613
  211    HB2  PHE  31           2HB      PHE  31   3.883   2.924   2.385
  212    HB3  PHE  31           1HB      PHE  31   2.370   2.501   3.177
  213    HD1  PHE  31           2HD      PHE  31   0.537   2.104   0.972
  214    HD2  PHE  31           1HD      PHE  31   4.640   1.036   1.307
  215    HE1  PHE  31           2HE      PHE  31   0.198   0.299  -0.665
  216    HE2  PHE  31           1HE      PHE  31   4.309  -0.767  -0.329
  217    HZ   PHE  31           HZ       PHE  31   2.084  -1.138  -1.319
  218    H    THR  32           H        THR  32   4.239   5.587   2.373
  219    HA   THR  32           HA       THR  32   3.320   6.349   4.977
  220    HB   THR  32           HB       THR  32   5.669   6.027   4.753
  221    HG1  THR  32           1HG      THR  32   5.046   8.797   5.027
  222   HG21  THR  32          3HG2      THR  32   5.585   8.133   2.600
  223   HG22  THR  32          1HG2      THR  32   6.020   6.432   2.416
  224   HG23  THR  32          2HG2      THR  32   7.067   7.518   3.331
  225    H    LYS  33           H        LYS  33   3.006   7.692   1.830
  226    HA   LYS  33           HA       LYS  33   2.544  10.387   2.729
  227    HB2  LYS  33           2HB      LYS  33   3.433   9.788   0.475
  228    HB3  LYS  33           1HB      LYS  33   1.850   9.149   0.067
  229    HG2  LYS  33           2HG      LYS  33   0.856  11.327   0.301
  230    HG3  LYS  33           1HG      LYS  33   2.382  12.001   0.863
  231    HD2  LYS  33           2HD      LYS  33   1.884  10.810  -1.863
  232    HD3  LYS  33           1HD      LYS  33   1.960  12.532  -1.493
  233    HE2  LYS  33           2HE      LYS  33   4.197  10.528  -1.208
  234    HE3  LYS  33           1HE      LYS  33   4.065  11.787  -2.433
  235    HZ1  LYS  33           3HZ      LYS  33   4.176  13.443  -0.653
  236    HZ2  LYS  33           1HZ      LYS  33   5.557  12.468  -0.690
  237    HZ3  LYS  33           2HZ      LYS  33   4.376  12.212   0.491
  238    H    VAL  34           H        VAL  34   0.491   7.749   1.486
  239    HA   VAL  34           HA       VAL  34  -1.945   9.168   1.918
  240    HB   VAL  34           HB       VAL  34  -2.998   7.054   1.367
  241   HG11  VAL  34          1HG1      VAL  34  -2.050   6.700  -0.861
  242   HG12  VAL  34          2HG1      VAL  34  -0.618   7.610  -0.377
  243   HG13  VAL  34          3HG1      VAL  34  -2.186   8.414  -0.464
  244   HG21  VAL  34          3HG2      VAL  34  -0.251   5.839   1.417
  245   HG22  VAL  34          1HG2      VAL  34  -1.740   5.024   0.933
  246   HG23  VAL  34          2HG2      VAL  34  -1.523   5.550   2.603
  247    H    GLY  35           H        GLY  35   0.196   7.531   3.987
  248    HA2  GLY  35           2HA      GLY  35   0.045   7.426   6.311
  249    HA3  GLY  35           1HA      GLY  35  -1.662   7.825   6.194
  250    H    LEU  36           H        LEU  36  -0.469   5.272   4.213
  251    HA   LEU  36           HA       LEU  36  -2.230   3.420   5.580
  252    HB2  LEU  36           2HB      LEU  36  -1.993   3.673   3.048
  253    HB3  LEU  36           1HB      LEU  36  -0.472   2.817   3.212
  254    HG   LEU  36           HG       LEU  36  -1.708   0.893   4.190
  255   HD11  LEU  36          1HD1      LEU  36  -3.636   2.143   5.042
  256   HD12  LEU  36          2HD1      LEU  36  -4.130   0.815   3.997
  257   HD13  LEU  36          3HD1      LEU  36  -4.152   2.468   3.388
  258   HD21  LEU  36          3HD2      LEU  36  -2.671   0.132   2.083
  259   HD22  LEU  36          1HD2      LEU  36  -1.136   0.955   1.814
  260   HD23  LEU  36          2HD2      LEU  36  -2.654   1.784   1.467
  261    H    ALA  37           H        ALA  37   0.765   4.383   6.238
  262    HA   ALA  37           HA       ALA  37   1.682   1.746   7.102
  263    HB1  ALA  37           1HB      ALA  37   3.312   3.347   6.154
  264    HB2  ALA  37           2HB      ALA  37   3.709   2.884   7.810
  265    HB3  ALA  37           3HB      ALA  37   2.974   4.455   7.485
  266    H    ALA  38           H        ALA  38  -0.326   4.209   8.150
  267    HA   ALA  38           HA       ALA  38   0.067   3.506  10.987
  268    HB1  ALA  38           1HB      ALA  38   0.704   5.819  10.527
  269    HB2  ALA  38           2HB      ALA  38  -0.718   5.742  11.567
  270    HB3  ALA  38           3HB      ALA  38  -0.897   6.129   9.856
  271    H    LYS  39           H        LYS  39  -1.665   2.386   8.838
  272    HA   LYS  39           HA       LYS  39  -4.377   3.044   9.413
  273    HB2  LYS  39           2HB      LYS  39  -4.607   0.689   8.175
  274    HB3  LYS  39           1HB      LYS  39  -4.237   2.179   7.312
  275    HG2  LYS  39           2HG      LYS  39  -2.837   0.296   6.613
  276    HG3  LYS  39           1HG      LYS  39  -1.901   1.633   7.271
  277    HD2  LYS  39           2HD      LYS  39  -1.830   0.406   9.452
  278    HD3  LYS  39           1HD      LYS  39  -2.587  -0.967   8.640
  279    HE2  LYS  39           2HE      LYS  39  -0.730  -1.173   7.137
  280    HE3  LYS  39           1HE      LYS  39  -0.012   0.316   7.756
  281    HZ1  LYS  39           3HZ      LYS  39   0.272  -0.788   9.907
  282    HZ2  LYS  39           1HZ      LYS  39   1.071  -1.636   8.680
  283    HZ3  LYS  39           2HZ      LYS  39  -0.397  -2.210   9.283
  284    H    SER  40           H        SER  40  -5.946   1.277   9.984
  285    HA   SER  40           HA       SER  40  -4.954  -0.371  12.209
  286    HB2  SER  40           2HB      SER  40  -7.808   0.311  11.427
  287    HB3  SER  40           1HB      SER  40  -7.293  -0.497  12.906
  288    HG   SER  40           HG       SER  40  -6.030   1.896  12.507
  289    HA   PRO  41           HA       PRO  41  -5.189  -4.268  10.157
  290    HB2  PRO  41           2HB      PRO  41  -7.423  -5.409  11.513
  291    HB3  PRO  41           1HB      PRO  41  -5.709  -5.687  11.820
  292    HG2  PRO  41           2HG      PRO  41  -7.606  -3.881  13.196
  293    HG3  PRO  41           1HG      PRO  41  -6.143  -4.664  13.815
  294    HD2  PRO  41           2HD      PRO  41  -6.220  -2.037  13.294
  295    HD3  PRO  41           1HD      PRO  41  -4.757  -2.997  12.997
  296    H    ALA  42           H        ALA  42  -8.501  -3.041  10.760
  297    HA   ALA  42           HA       ALA  42  -9.688  -4.485   8.643
  298    HB1  ALA  42           1HB      ALA  42 -10.663  -1.967   9.981
  299    HB2  ALA  42           2HB      ALA  42 -10.987  -3.617  10.512
  300    HB3  ALA  42           3HB      ALA  42 -11.628  -3.044   8.973
  301    H    ASP  43           H        ASP  43  -8.113  -1.366   8.764
  302    HA   ASP  43           HA       ASP  43  -9.055  -0.396   6.265
  303    HB2  ASP  43           2HB      ASP  43  -6.448   0.297   7.638
  304    HB3  ASP  43           1HB      ASP  43  -7.267   1.244   6.403
  305    H    ILE  44           H        ILE  44  -6.206  -2.171   7.310
  306    HA   ILE  44           HA       ILE  44  -5.048  -2.368   4.723
  307    HB   ILE  44           HB       ILE  44  -4.547  -3.638   7.374
  308   HG12  ILE  44          2HG1      ILE  44  -3.564  -1.493   6.948
  309   HG13  ILE  44          1HG1      ILE  44  -2.288  -2.705   6.992
  310   HG21  ILE  44          1HG2      ILE  44  -4.312  -5.518   5.853
  311   HG22  ILE  44          2HG2      ILE  44  -2.732  -5.002   6.444
  312   HG23  ILE  44          3HG2      ILE  44  -3.250  -4.567   4.816
  313   HD11  ILE  44          3HD1      ILE  44  -1.814  -1.189   5.229
  314   HD12  ILE  44          1HD1      ILE  44  -3.439  -1.361   4.564
  315   HD13  ILE  44          2HD1      ILE  44  -2.317  -2.719   4.506
  316    H    LYS  45           H        LYS  45  -7.432  -4.219   6.468
  317    HA   LYS  45           HA       LYS  45  -7.402  -6.569   4.941
  318    HB2  LYS  45           2HB      LYS  45  -8.650  -6.402   7.028
  319    HB3  LYS  45           1HB      LYS  45  -9.723  -5.205   6.320
  320    HG2  LYS  45           2HG      LYS  45 -10.778  -7.397   6.436
  321    HG3  LYS  45           1HG      LYS  45 -10.586  -6.863   4.767
  322    HD2  LYS  45           2HD      LYS  45 -10.006  -9.192   4.906
  323    HD3  LYS  45           1HD      LYS  45  -8.540  -8.262   4.610
  324    HE2  LYS  45           2HE      LYS  45  -8.076  -9.944   6.262
  325    HE3  LYS  45           1HE      LYS  45  -8.043  -8.362   7.038
  326    HZ1  LYS  45           3HZ      LYS  45 -10.305  -8.766   7.839
  327    HZ2  LYS  45           1HZ      LYS  45  -9.232  -9.950   8.393
  328    HZ3  LYS  45           2HZ      LYS  45 -10.292 -10.300   7.124
  329    H    LYS  46           H        LYS  46  -9.219  -3.536   4.457
  330    HA   LYS  46           HA       LYS  46 -10.427  -4.478   2.052
  331    HB2  LYS  46           2HB      LYS  46 -11.183  -2.185   1.704
  332    HB3  LYS  46           1HB      LYS  46 -11.475  -2.690   3.358
  333    HG2  LYS  46           2HG      LYS  46 -10.670  -0.618   3.754
  334    HG3  LYS  46           1HG      LYS  46  -9.143  -1.495   3.743
  335    HD2  LYS  46           2HD      LYS  46  -8.658   0.291   2.364
  336    HD3  LYS  46           1HD      LYS  46  -9.160  -0.927   1.192
  337    HE2  LYS  46           2HE      LYS  46 -10.927   1.249   2.313
  338    HE3  LYS  46           1HE      LYS  46 -10.132   1.299   0.744
  339    HZ1  LYS  46           3HZ      LYS  46 -12.409   0.622   0.494
  340    HZ2  LYS  46           1HZ      LYS  46 -12.209  -0.639   1.602
  341    HZ3  LYS  46           2HZ      LYS  46 -11.407  -0.684   0.118
  342    H    VAL  47           H        VAL  47  -7.412  -2.944   2.842
  343    HA   VAL  47           HA       VAL  47  -6.619  -2.261   0.211
  344    HB   VAL  47           HB       VAL  47  -4.941  -2.974   2.620
  345   HG11  VAL  47          1HG1      VAL  47  -4.083  -1.671   0.037
  346   HG12  VAL  47          2HG1      VAL  47  -3.693  -3.318   0.529
  347   HG13  VAL  47          3HG1      VAL  47  -3.069  -1.952   1.453
  348   HG21  VAL  47          3HG2      VAL  47  -6.312  -0.996   2.934
  349   HG22  VAL  47          1HG2      VAL  47  -5.721  -0.323   1.415
  350   HG23  VAL  47          2HG2      VAL  47  -4.616  -0.546   2.769
  351    H    PHE  48           H        PHE  48  -6.387  -5.229   2.104
  352    HA   PHE  48           HA       PHE  48  -4.916  -6.797   0.327
  353    HB2  PHE  48           2HB      PHE  48  -7.165  -7.541   2.199
  354    HB3  PHE  48           1HB      PHE  48  -6.223  -8.729   1.309
  355    HD1  PHE  48           1HD      PHE  48  -3.587  -6.989   1.668
  356    HD2  PHE  48           2HD      PHE  48  -6.546  -8.537   4.308
  357    HE1  PHE  48           1HE      PHE  48  -1.926  -7.075   3.476
  358    HE2  PHE  48           2HE      PHE  48  -4.891  -8.618   6.121
  359    HZ   PHE  48           HZ       PHE  48  -2.575  -7.891   5.706
  360    H    GLU  49           H        GLU  49  -8.362  -6.083   0.439
  361    HA   GLU  49           HA       GLU  49  -9.120  -7.578  -1.851
  362    HB2  GLU  49           2HB      GLU  49 -10.355  -5.045  -0.741
  363    HB3  GLU  49           1HB      GLU  49 -11.135  -6.189  -1.823
  364    HG2  GLU  49           2HG      GLU  49 -10.151  -6.993   0.890
  365    HG3  GLU  49           1HG      GLU  49 -11.744  -6.283   0.639
  366    H    ILE  50           H        ILE  50  -7.575  -4.521  -1.405
  367    HA   ILE  50           HA       ILE  50  -8.321  -3.273  -3.797
  368    HB   ILE  50           HB       ILE  50  -5.999  -2.803  -1.962
  369   HG12  ILE  50          2HG1      ILE  50  -8.126  -2.253  -1.001
  370   HG13  ILE  50          1HG1      ILE  50  -7.323  -0.756  -1.443
  371   HG21  ILE  50          1HG2      ILE  50  -5.852  -0.572  -3.181
  372   HG22  ILE  50          2HG2      ILE  50  -6.727  -1.367  -4.492
  373   HG23  ILE  50          3HG2      ILE  50  -5.159  -1.980  -3.973
  374   HD11  ILE  50          3HD1      ILE  50  -9.590  -0.531  -2.037
  375   HD12  ILE  50          1HD1      ILE  50  -9.601  -2.098  -2.844
  376   HD13  ILE  50          2HD1      ILE  50  -8.690  -0.759  -3.538
  377    H    ILE  51           H        ILE  51  -5.331  -5.129  -3.043
  378    HA   ILE  51           HA       ILE  51  -4.288  -4.709  -5.661
  379    HB   ILE  51           HB       ILE  51  -2.784  -6.746  -5.192
  380   HG12  ILE  51          2HG1      ILE  51  -4.434  -7.381  -3.195
  381   HG13  ILE  51          1HG1      ILE  51  -2.712  -7.726  -3.096
  382   HG21  ILE  51          1HG2      ILE  51  -1.284  -5.413  -3.851
  383   HG22  ILE  51          2HG2      ILE  51  -2.601  -4.309  -3.444
  384   HG23  ILE  51          3HG2      ILE  51  -2.056  -4.457  -5.117
  385   HD11  ILE  51          3HD1      ILE  51  -2.431  -5.623  -1.809
  386   HD12  ILE  51          1HD1      ILE  51  -3.451  -6.822  -1.017
  387   HD13  ILE  51          2HD1      ILE  51  -4.184  -5.433  -1.813
  388    H    ASP  52           H        ASP  52  -6.334  -7.178  -4.227
  389    HA   ASP  52           HA       ASP  52  -6.160  -8.770  -6.617
  390    HB2  ASP  52           2HB      ASP  52  -6.647  -9.657  -4.211
  391    HB3  ASP  52           1HB      ASP  52  -8.308  -9.197  -4.564
  392    H    GLN  53           H        GLN  53  -6.812  -7.047  -8.046
  393    HA   GLN  53           HA       GLN  53  -9.098  -5.584  -8.131
  394    HB2  GLN  53           2HB      GLN  53  -7.508  -5.227  -9.827
  395    HB3  GLN  53           1HB      GLN  53  -7.529  -6.910 -10.325
  396    HG2  GLN  53           2HG      GLN  53  -8.616  -5.642 -12.006
  397    HG3  GLN  53           1HG      GLN  53  -9.846  -6.571 -11.159
  398   HE21  GLN  53          1HE2      GLN  53 -10.132  -4.201 -12.777
  399   HE22  GLN  53          2HE2      GLN  53 -10.863  -3.000 -11.770
  400    H    ASP  54           H        ASP  54  -8.803  -8.968  -9.212
  401    HA   ASP  54           HA       ASP  54 -11.661  -8.949  -9.842
  402    HB2  ASP  54           2HB      ASP  54 -11.313 -10.687 -11.279
  403    HB3  ASP  54           1HB      ASP  54  -9.693 -10.007 -11.283
  404    H    LYS  55           H        LYS  55  -9.657  -9.764  -7.311
  405    HA   LYS  55           HA       LYS  55  -9.864 -10.847  -5.364
  406    HB2  LYS  55           2HB      LYS  55 -11.868  -9.452  -5.135
  407    HB3  LYS  55           1HB      LYS  55 -12.836 -10.720  -5.884
  408    HG2  LYS  55           2HG      LYS  55 -12.488 -12.187  -4.057
  409    HG3  LYS  55           1HG      LYS  55 -11.229 -11.154  -3.380
  410    HD2  LYS  55           2HD      LYS  55 -12.873  -9.431  -2.898
  411    HD3  LYS  55           1HD      LYS  55 -14.142 -10.417  -3.634
  412    HE2  LYS  55           2HE      LYS  55 -13.912 -12.091  -1.940
  413    HE3  LYS  55           1HE      LYS  55 -12.478 -11.305  -1.286
  414    HZ1  LYS  55           3HZ      LYS  55 -13.822  -9.428  -0.635
  415    HZ2  LYS  55           1HZ      LYS  55 -14.443 -10.850   0.047
  416    HZ3  LYS  55           2HZ      LYS  55 -15.211 -10.148  -1.288
  417    H    SER  56           H        SER  56  -8.882 -12.487  -6.815
  418    HA   SER  56           HA       SER  56 -10.505 -14.938  -6.951
  419    HB2  SER  56           2HB      SER  56  -9.496 -14.270  -9.071
  420    HB3  SER  56           1HB      SER  56  -7.915 -14.161  -8.307
  421    HG   SER  56           HG       SER  56  -8.345 -16.503  -7.794
  422    H    ASP  57           H        ASP  57  -9.131 -13.611  -4.633
  423    HA   ASP  57           HA       ASP  57  -7.797 -13.964  -2.874
  424    HB2  ASP  57           2HB      ASP  57  -7.783 -16.192  -1.856
  425    HB3  ASP  57           1HB      ASP  57  -9.391 -15.708  -2.365
  426    H    PHE  58           H        PHE  58  -6.659 -14.134  -5.616
  427    HA   PHE  58           HA       PHE  58  -3.939 -14.619  -4.770
  428    HB2  PHE  58           2HB      PHE  58  -5.263 -16.174  -6.977
  429    HB3  PHE  58           1HB      PHE  58  -3.552 -15.779  -7.085
  430    HD1  PHE  58           1HD      PHE  58  -2.141 -16.397  -4.964
  431    HD2  PHE  58           2HD      PHE  58  -5.886 -18.146  -5.967
  432    HE1  PHE  58           1HE      PHE  58  -1.588 -18.358  -3.584
  433    HE2  PHE  58           2HE      PHE  58  -5.343 -20.107  -4.586
  434    HZ   PHE  58           HZ       PHE  58  -3.193 -20.217  -3.393
  435    H    VAL  59           H        VAL  59  -2.929 -12.827  -5.298
  436    HA   VAL  59           HA       VAL  59  -4.197 -11.031  -7.208
  437    HB   VAL  59           HB       VAL  59  -1.991 -10.498  -5.245
  438   HG11  VAL  59          1HG1      VAL  59  -2.290  -9.016  -7.314
  439   HG12  VAL  59          2HG1      VAL  59  -2.134  -8.277  -5.726
  440   HG13  VAL  59          3HG1      VAL  59  -3.725  -8.427  -6.469
  441   HG21  VAL  59          3HG2      VAL  59  -4.017 -11.145  -4.100
  442   HG22  VAL  59          1HG2      VAL  59  -4.930  -9.964  -5.037
  443   HG23  VAL  59          2HG2      VAL  59  -3.711  -9.421  -3.887
  444    H    GLU  60           H        GLU  60  -3.539 -11.583  -9.227
  445    HA   GLU  60           HA       GLU  60  -0.773 -12.229  -9.775
  446    HB2  GLU  60           2HB      GLU  60  -3.177 -11.992 -11.579
  447    HB3  GLU  60           1HB      GLU  60  -1.578 -12.490 -12.114
  448    HG2  GLU  60           2HG      GLU  60  -3.219 -13.909 -10.037
  449    HG3  GLU  60           1HG      GLU  60  -3.098 -14.380 -11.732
  450    H    GLU  61           H        GLU  61  -0.160 -11.124 -12.166
  451    HA   GLU  61           HA       GLU  61   0.421  -8.414 -11.461
  452    HB2  GLU  61           2HB      GLU  61   1.956  -9.829 -12.811
  453    HB3  GLU  61           1HB      GLU  61   0.793  -9.793 -14.130
  454    HG2  GLU  61           2HG      GLU  61   1.048  -7.383 -14.312
  455    HG3  GLU  61           1HG      GLU  61   2.175  -7.389 -12.959
  456    H    ASP  62           H        ASP  62  -1.883  -9.968 -13.640
  457    HA   ASP  62           HA       ASP  62  -2.860  -7.618 -14.857
  458    HB2  ASP  62           2HB      ASP  62  -4.881  -8.908 -15.408
  459    HB3  ASP  62           1HB      ASP  62  -3.419  -9.820 -15.764
  460    H    GLU  63           H        GLU  63  -3.325  -9.011 -11.752
  461    HA   GLU  63           HA       GLU  63  -5.562  -7.541 -10.887
  462    HB2  GLU  63           2HB      GLU  63  -3.484  -9.171  -9.711
  463    HB3  GLU  63           1HB      GLU  63  -3.804  -7.759  -8.718
  464    HG2  GLU  63           2HG      GLU  63  -5.146  -9.548  -7.950
  465    HG3  GLU  63           1HG      GLU  63  -6.194  -8.364  -8.718
  466    H    LEU  64           H        LEU  64  -2.085  -6.932 -10.452
  467    HA   LEU  64           HA       LEU  64  -2.376  -4.475  -9.156
  468    HB2  LEU  64           2HB      LEU  64  -0.108  -5.860 -10.490
  469    HB3  LEU  64           1HB      LEU  64   0.078  -4.179 -10.035
  470    HG   LEU  64           HG       LEU  64   0.993  -5.641  -8.327
  471   HD11  LEU  64          1HD1      LEU  64  -1.551  -4.361  -7.363
  472   HD12  LEU  64          2HD1      LEU  64  -0.037  -3.509  -7.665
  473   HD13  LEU  64          3HD1      LEU  64  -0.123  -4.737  -6.400
  474   HD21  LEU  64          3HD2      LEU  64  -0.446  -7.122  -7.025
  475   HD22  LEU  64          1HD2      LEU  64  -0.379  -7.608  -8.719
  476   HD23  LEU  64          2HD2      LEU  64  -1.793  -6.755  -8.101
  477    H    LYS  65           H        LYS  65  -2.560  -5.269 -12.479
  478    HA   LYS  65           HA       LYS  65  -1.878  -2.763 -13.549
  479    HB2  LYS  65           2HB      LYS  65  -3.202  -5.201 -14.505
  480    HB3  LYS  65           1HB      LYS  65  -3.761  -3.736 -15.301
  481    HG2  LYS  65           2HG      LYS  65  -1.864  -4.966 -16.417
  482    HG3  LYS  65           1HG      LYS  65  -1.607  -3.246 -16.127
  483    HD2  LYS  65           2HD      LYS  65  -0.275  -3.742 -14.173
  484    HD3  LYS  65           1HD      LYS  65  -0.586  -5.470 -14.362
  485    HE2  LYS  65           2HE      LYS  65   0.874  -3.716 -16.334
  486    HE3  LYS  65           1HE      LYS  65   1.636  -4.820 -15.192
  487    HZ1  LYS  65           3HZ      LYS  65   1.475  -5.805 -17.379
  488    HZ2  LYS  65           1HZ      LYS  65  -0.202  -5.594 -17.390
  489    HZ3  LYS  65           2HZ      LYS  65   0.508  -6.660 -16.289
  490    H    LEU  66           H        LEU  66  -5.076  -4.145 -12.838
  491    HA   LEU  66           HA       LEU  66  -6.144  -1.423 -13.022
  492    HB2  LEU  66           2HB      LEU  66  -7.600  -4.055 -13.153
  493    HB3  LEU  66           1HB      LEU  66  -8.311  -2.465 -13.393
  494    HG   LEU  66           HG       LEU  66  -6.215  -3.764 -15.131
  495   HD11  LEU  66          1HD1      LEU  66  -8.403  -4.711 -15.478
  496   HD12  LEU  66          2HD1      LEU  66  -7.957  -3.699 -16.852
  497   HD13  LEU  66          3HD1      LEU  66  -9.104  -3.101 -15.652
  498   HD21  LEU  66          3HD2      LEU  66  -5.808  -1.371 -14.971
  499   HD22  LEU  66          1HD2      LEU  66  -7.501  -1.046 -15.364
  500   HD23  LEU  66          2HD2      LEU  66  -6.447  -1.788 -16.567
  501    H    PHE  67           H        PHE  67  -4.986  -3.299 -10.679
  502    HA   PHE  67           HA       PHE  67  -6.974  -3.285  -8.681
  503    HB2  PHE  67           2HB      PHE  67  -5.350  -4.118  -7.335
  504    HB3  PHE  67           1HB      PHE  67  -4.398  -4.199  -8.807
  505    HD1  PHE  67           2HD      PHE  67  -2.774  -2.321  -9.300
  506    HD2  PHE  67           1HD      PHE  67  -4.722  -2.755  -5.556
  507    HE1  PHE  67           2HE      PHE  67  -1.082  -0.872  -8.258
  508    HE2  PHE  67           1HE      PHE  67  -3.037  -1.306  -4.499
  509    HZ   PHE  67           HZ       PHE  67  -1.211  -0.362  -5.854
  510    H    LEU  68           H        LEU  68  -4.920  -0.874 -10.002
  511    HA   LEU  68           HA       LEU  68  -5.104   1.108  -8.016
  512    HB2  LEU  68           2HB      LEU  68  -4.840   1.511 -10.991
  513    HB3  LEU  68           1HB      LEU  68  -4.324   2.614  -9.726
  514    HG   LEU  68           HG       LEU  68  -3.091  -0.029  -9.531
  515   HD11  LEU  68          1HD1      LEU  68  -3.319   0.216 -11.995
  516   HD12  LEU  68          2HD1      LEU  68  -1.646   0.185 -11.426
  517   HD13  LEU  68          3HD1      LEU  68  -2.392   1.717 -11.878
  518   HD21  LEU  68          3HD2      LEU  68  -1.097   1.317  -9.195
  519   HD22  LEU  68          1HD2      LEU  68  -2.424   1.927  -8.206
  520   HD23  LEU  68          2HD2      LEU  68  -1.971   2.769  -9.689
  521    H    GLN  69           H        GLN  69  -7.090   0.250 -10.760
  522    HA   GLN  69           HA       GLN  69  -8.878   2.466 -10.485
  523    HB2  GLN  69           2HB      GLN  69  -9.135  -0.146 -11.979
  524    HB3  GLN  69           1HB      GLN  69 -10.291   1.178 -12.082
  525    HG2  GLN  69           2HG      GLN  69  -7.386   1.332 -12.848
  526    HG3  GLN  69           1HG      GLN  69  -8.734   1.158 -13.963
  527   HE21  GLN  69          1HE2      GLN  69  -6.761   3.271 -13.828
  528   HE22  GLN  69          2HE2      GLN  69  -7.636   4.740 -13.578
  529    H    ASN  70           H        ASN  70  -8.413  -0.495  -8.914
  530    HA   ASN  70           HA       ASN  70 -11.115  -0.667  -7.840
  531    HB2  ASN  70           2HB      ASN  70  -9.678  -2.688  -8.275
  532    HB3  ASN  70           1HB      ASN  70  -8.616  -2.150  -6.982
  533   HD21  ASN  70          1HD2      ASN  70  -8.949  -3.982  -5.773
  534   HD22  ASN  70          2HD2      ASN  70 -10.438  -4.306  -4.956
  535    H    PHE  71           H        PHE  71  -8.163   0.881  -7.187
  536    HA   PHE  71           HA       PHE  71  -8.790   1.407  -4.383
  537    HB2  PHE  71           2HB      PHE  71  -6.466   0.749  -5.354
  538    HB3  PHE  71           1HB      PHE  71  -6.381   2.426  -5.872
  539    HD1  PHE  71           1HD      PHE  71  -7.777   1.067  -2.706
  540    HD2  PHE  71           2HD      PHE  71  -4.665   3.291  -4.570
  541    HE1  PHE  71           1HE      PHE  71  -6.880   1.654  -0.496
  542    HE2  PHE  71           2HE      PHE  71  -3.767   3.886  -2.357
  543    HZ   PHE  71           HZ       PHE  71  -4.872   3.064  -0.318
  544    H    SER  72           H        SER  72  -8.567   3.000  -7.498
  545    HA   SER  72           HA       SER  72 -10.166   5.211  -6.623
  546    HB2  SER  72           2HB      SER  72  -8.392   6.918  -7.304
  547    HB3  SER  72           1HB      SER  72  -8.129   6.100  -5.763
  548    HG   SER  72           HG       SER  72  -6.927   4.552  -7.346
  549    H    ALA  73           H        ALA  73 -10.869   6.532  -8.416
  550    HA   ALA  73           HA       ALA  73 -10.883   4.988 -10.880
  551    HB1  ALA  73           1HB      ALA  73 -12.988   5.831  -9.939
  552    HB2  ALA  73           2HB      ALA  73 -12.697   6.434 -11.570
  553    HB3  ALA  73           3HB      ALA  73 -12.422   7.483 -10.181
  554    H    GLY  74           H        GLY  74  -9.208   7.670  -9.632
  555    HA2  GLY  74           2HA      GLY  74  -8.610   8.667 -12.339
  556    HA3  GLY  74           1HA      GLY  74  -8.340   9.554 -10.847
  557    H    ALA  75           H        ALA  75  -7.459   6.243 -10.855
  558    HA   ALA  75           HA       ALA  75  -4.700   6.958 -10.450
  559    HB1  ALA  75           1HB      ALA  75  -5.787   5.214  -9.107
  560    HB2  ALA  75           2HB      ALA  75  -4.355   4.622  -9.949
  561    HB3  ALA  75           3HB      ALA  75  -5.963   4.224 -10.558
  562    H    ARG  76           H        ARG  76  -2.990   5.594 -11.541
  563    HA   ARG  76           HA       ARG  76  -3.518   5.478 -14.422
  564    HB2  ARG  76           2HB      ARG  76  -0.781   5.853 -13.261
  565    HB3  ARG  76           1HB      ARG  76  -1.365   6.297 -14.853
  566    HG2  ARG  76           2HG      ARG  76  -2.363   7.665 -12.383
  567    HG3  ARG  76           1HG      ARG  76  -0.864   8.154 -13.166
  568    HD2  ARG  76           2HD      ARG  76  -2.598   9.559 -13.963
  569    HD3  ARG  76           1HD      ARG  76  -2.154   8.472 -15.274
  570    HE   ARG  76           HE       ARG  76  -4.257   7.225 -14.095
  571   HH11  ARG  76          1HH1      ARG  76  -3.748  10.440 -15.373
  572   HH12  ARG  76          2HH1      ARG  76  -5.414  10.681 -15.786
  573   HH21  ARG  76          1HH2      ARG  76  -6.450   7.523 -14.648
  574   HH22  ARG  76          2HH2      ARG  76  -6.953   9.012 -15.382
  575    H    ALA  77           H        ALA  77  -3.128   3.534 -15.405
  576    HA   ALA  77           HA       ALA  77  -2.504   1.286 -13.765
  577    HB1  ALA  77           1HB      ALA  77  -2.776   1.424 -16.758
  578    HB2  ALA  77           2HB      ALA  77  -4.076   1.091 -15.613
  579    HB3  ALA  77           3HB      ALA  77  -2.738  -0.047 -15.783
  580    H    LEU  78           H        LEU  78  -0.649   0.379 -13.347
  581    HA   LEU  78           HA       LEU  78   1.816   1.387 -14.438
  582    HB2  LEU  78           2HB      LEU  78   1.092  -0.718 -12.416
  583    HB3  LEU  78           1HB      LEU  78   2.735  -0.568 -13.000
  584    HG   LEU  78           HG       LEU  78   2.877   1.698 -12.093
  585   HD11  LEU  78          1HD1      LEU  78   0.082   1.230 -11.077
  586   HD12  LEU  78          2HD1      LEU  78   0.550   2.380 -12.329
  587   HD13  LEU  78          3HD1      LEU  78   1.114   2.600 -10.673
  588   HD21  LEU  78          3HD2      LEU  78   2.800   1.111  -9.719
  589   HD22  LEU  78          1HD2      LEU  78   3.514  -0.180 -10.687
  590   HD23  LEU  78          2HD2      LEU  78   1.854  -0.327 -10.110
  591    H    SER  79           H        SER  79   3.331   0.193 -15.681
  592    HA   SER  79           HA       SER  79   3.073  -2.489 -16.363
  593    HB2  SER  79           2HB      SER  79   2.452  -2.126 -18.846
  594    HB3  SER  79           1HB      SER  79   1.141  -2.060 -17.669
  595    HG   SER  79           HG       SER  79   2.195   0.376 -17.886
  596    H    ASP  80           H        ASP  80   5.213  -1.989 -15.731
  597    HA   ASP  80           HA       ASP  80   7.074  -2.164 -17.773
  598    HB2  ASP  80           2HB      ASP  80   6.394   0.291 -18.061
  599    HB3  ASP  80           1HB      ASP  80   7.124   0.578 -16.487
  600    H    ALA  81           H        ALA  81   9.052  -0.540 -16.122
  601    HA   ALA  81           HA       ALA  81   9.832  -2.693 -14.484
  602    HB1  ALA  81           1HB      ALA  81  10.818   0.157 -14.455
  603    HB2  ALA  81           2HB      ALA  81  11.435  -1.138 -15.479
  604    HB3  ALA  81           3HB      ALA  81  11.630  -1.229 -13.729
  605    H    GLU  82           H        GLU  82   7.487  -0.298 -13.922
  606    HA   GLU  82           HA       GLU  82   8.220   0.063 -11.135
  607    HB2  GLU  82           2HB      GLU  82   6.586   1.774 -11.004
  608    HB3  GLU  82           1HB      GLU  82   7.413   1.986 -12.535
  609    HG2  GLU  82           2HG      GLU  82   4.707   0.740 -12.155
  610    HG3  GLU  82           1HG      GLU  82   5.026   2.375 -12.731
  611    H    THR  83           H        THR  83   5.744  -1.532 -13.093
  612    HA   THR  83           HA       THR  83   4.279  -2.556 -10.890
  613    HB   THR  83           HB       THR  83   4.621  -4.258 -13.318
  614    HG1  THR  83           1HG      THR  83   4.207  -1.677 -13.601
  615   HG21  THR  83          3HG2      THR  83   2.228  -3.378 -11.705
  616   HG22  THR  83          1HG2      THR  83   3.074  -4.918 -11.552
  617   HG23  THR  83          2HG2      THR  83   2.200  -4.535 -13.036
  618    H    LYS  84           H        LYS  84   7.185  -3.572 -12.587
  619    HA   LYS  84           HA       LYS  84   7.510  -6.122 -11.500
  620    HB2  LYS  84           2HB      LYS  84   9.696  -4.165 -12.223
  621    HB3  LYS  84           1HB      LYS  84   9.841  -5.909 -12.125
  622    HG2  LYS  84           2HG      LYS  84   8.045  -4.521 -14.087
  623    HG3  LYS  84           1HG      LYS  84   9.724  -4.927 -14.428
  624    HD2  LYS  84           2HD      LYS  84   8.651  -6.747 -15.324
  625    HD3  LYS  84           1HD      LYS  84   8.972  -7.328 -13.692
  626    HE2  LYS  84           2HE      LYS  84   6.701  -6.783 -13.025
  627    HE3  LYS  84           1HE      LYS  84   6.376  -6.093 -14.611
  628    HZ1  LYS  84           3HZ      LYS  84   7.021  -8.932 -14.047
  629    HZ2  LYS  84           1HZ      LYS  84   6.744  -8.278 -15.579
  630    HZ3  LYS  84           2HZ      LYS  84   5.490  -8.323 -14.443
  631    H    VAL  85           H        VAL  85   9.068  -3.088 -10.475
  632    HA   VAL  85           HA       VAL  85  10.286  -4.211  -8.191
  633    HB   VAL  85           HB       VAL  85   9.629  -1.306  -8.706
  634   HG11  VAL  85          1HG1      VAL  85  11.495  -0.841  -7.188
  635   HG12  VAL  85          2HG1      VAL  85  11.678  -2.569  -6.885
  636   HG13  VAL  85          3HG1      VAL  85  10.209  -1.735  -6.379
  637   HG21  VAL  85          3HG2      VAL  85  10.908  -2.291 -10.537
  638   HG22  VAL  85          1HG2      VAL  85  12.105  -2.889  -9.388
  639   HG23  VAL  85          2HG2      VAL  85  11.894  -1.154  -9.615
  640    H    PHE  86           H        PHE  86   7.230  -2.488  -8.635
  641    HA   PHE  86           HA       PHE  86   6.628  -2.293  -5.871
  642    HB2  PHE  86           2HB      PHE  86   5.600  -0.797  -7.460
  643    HB3  PHE  86           1HB      PHE  86   4.861  -2.128  -8.318
  644    HD1  PHE  86           1HD      PHE  86   2.971  -3.380  -7.233
  645    HD2  PHE  86           2HD      PHE  86   4.618   0.172  -5.570
  646    HE1  PHE  86           1HE      PHE  86   0.960  -3.095  -5.842
  647    HE2  PHE  86           2HE      PHE  86   2.615   0.457  -4.175
  648    HZ   PHE  86           HZ       PHE  86   0.781  -1.177  -4.312
  649    H    LEU  87           H        LEU  87   5.933  -4.747  -8.335
  650    HA   LEU  87           HA       LEU  87   4.312  -6.390  -6.685
  651    HB2  LEU  87           2HB      LEU  87   6.010  -6.979  -9.098
  652    HB3  LEU  87           1HB      LEU  87   5.140  -8.242  -8.253
  653    HG   LEU  87           HG       LEU  87   3.840  -5.835  -9.526
  654   HD11  LEU  87          1HD1      LEU  87   4.067  -8.675 -10.510
  655   HD12  LEU  87          2HD1      LEU  87   4.866  -7.264 -11.207
  656   HD13  LEU  87          3HD1      LEU  87   3.109  -7.397 -11.256
  657   HD21  LEU  87          3HD2      LEU  87   2.724  -8.348  -8.286
  658   HD22  LEU  87          1HD2      LEU  87   1.785  -7.216  -9.260
  659   HD23  LEU  87          2HD2      LEU  87   2.492  -6.688  -7.737
  660    H    LYS  88           H        LYS  88   7.768  -6.453  -7.464
  661    HA   LYS  88           HA       LYS  88   8.353  -8.699  -5.860
  662    HB2  LYS  88           2HB      LYS  88  10.141  -6.539  -6.972
  663    HB3  LYS  88           1HB      LYS  88  10.732  -7.981  -6.150
  664    HG2  LYS  88           2HG      LYS  88   9.037  -8.017  -8.635
  665    HG3  LYS  88           1HG      LYS  88  10.797  -8.166  -8.606
  666    HD2  LYS  88           2HD      LYS  88  10.587 -10.143  -7.172
  667    HD3  LYS  88           1HD      LYS  88   8.832 -10.012  -7.258
  668    HE2  LYS  88           2HE      LYS  88   8.927 -10.324  -9.686
  669    HE3  LYS  88           1HE      LYS  88  10.681 -10.477  -9.594
  670    HZ1  LYS  88           3HZ      LYS  88  10.474 -12.466  -8.344
  671    HZ2  LYS  88           1HZ      LYS  88   9.453 -12.622  -9.682
  672    HZ3  LYS  88           2HZ      LYS  88   8.801 -12.270  -8.156
  673    H    ALA  89           H        ALA  89   7.871  -5.402  -5.057
  674    HA   ALA  89           HA       ALA  89   9.253  -5.265  -2.616
  675    HB1  ALA  89           1HB      ALA  89   6.619  -4.002  -3.383
  676    HB2  ALA  89           2HB      ALA  89   8.221  -3.299  -3.612
  677    HB3  ALA  89           3HB      ALA  89   7.592  -3.555  -1.982
  678    H    GLY  90           H        GLY  90   6.257  -6.783  -3.552
  679    HA2  GLY  90           2HA      GLY  90   5.796  -7.661  -0.783
  680    HA3  GLY  90           1HA      GLY  90   4.613  -7.720  -2.085
  681    H    ASP  91           H        ASP  91   5.943  -8.923  -4.103
  682    HA   ASP  91           HA       ASP  91   5.797 -11.652  -3.487
  683    HB2  ASP  91           2HB      ASP  91   5.538 -10.971  -5.761
  684    HB3  ASP  91           1HB      ASP  91   7.131 -10.222  -5.786
  685    H    SER  92           H        SER  92   7.118 -12.304  -1.819
  686    HA   SER  92           HA       SER  92   9.998 -11.793  -2.036
  687    HB2  SER  92           2HB      SER  92   8.489 -13.081   0.250
  688    HB3  SER  92           1HB      SER  92  10.134 -12.447   0.278
  689    HG   SER  92           HG       SER  92   7.875 -10.830  -0.310
  690    H    ASP  93           H        ASP  93   7.721 -14.004  -2.936
  691    HA   ASP  93           HA       ASP  93   9.256 -16.416  -2.365
  692    HB2  ASP  93           2HB      ASP  93   6.739 -16.242  -4.025
  693    HB3  ASP  93           1HB      ASP  93   7.404 -17.656  -3.221
  694    H    GLY  94           H        GLY  94   8.900 -14.135  -4.861
  695    HA2  GLY  94           2HA      GLY  94   9.962 -14.017  -6.925
  696    HA3  GLY  94           1HA      GLY  94  10.574 -15.651  -6.678
  697    H    ASP  95           H        ASP  95   7.236 -14.660  -6.362
  698    HA   ASP  95           HA       ASP  95   6.522 -16.689  -8.346
  699    HB2  ASP  95           2HB      ASP  95   4.220 -16.446  -7.383
  700    HB3  ASP  95           1HB      ASP  95   5.435 -16.995  -6.239
  701    H    GLY  96           H        GLY  96   6.688 -13.303  -8.002
  702    HA2  GLY  96           2HA      GLY  96   6.481 -11.737  -9.704
  703    HA3  GLY  96           1HA      GLY  96   5.813 -12.988 -10.740
  704    H    LYS  97           H        LYS  97   4.495 -12.336  -7.582
  705    HA   LYS  97           HA       LYS  97   2.292 -10.751  -8.666
  706    HB2  LYS  97           2HB      LYS  97   0.608 -12.281  -8.175
  707    HB3  LYS  97           1HB      LYS  97   1.862 -13.313  -8.843
  708    HG2  LYS  97           2HG      LYS  97   2.591 -13.758  -6.441
  709    HG3  LYS  97           1HG      LYS  97   1.090 -12.957  -5.963
  710    HD2  LYS  97           2HD      LYS  97   0.716 -15.341  -6.016
  711    HD3  LYS  97           1HD      LYS  97  -0.202 -14.571  -7.309
  712    HE2  LYS  97           2HE      LYS  97   1.726 -15.157  -8.846
  713    HE3  LYS  97           1HE      LYS  97   2.352 -16.148  -7.532
  714    HZ1  LYS  97           3HZ      LYS  97   0.267 -17.399  -7.563
  715    HZ2  LYS  97           1HZ      LYS  97   1.065 -17.474  -9.054
  716    HZ3  LYS  97           2HZ      LYS  97  -0.283 -16.462  -8.866
  717    H    ILE  98           H        ILE  98   0.684 -10.404  -6.724
  718    HA   ILE  98           HA       ILE  98   2.355  -9.769  -4.403
  719    HB   ILE  98           HB       ILE  98  -0.222  -8.579  -5.388
  720   HG12  ILE  98          2HG1      ILE  98   1.812  -7.651  -6.317
  721   HG13  ILE  98          1HG1      ILE  98   1.074  -6.488  -5.226
  722   HG21  ILE  98          1HG2      ILE  98   1.045  -8.145  -2.690
  723   HG22  ILE  98          2HG2      ILE  98  -0.504  -8.930  -3.001
  724   HG23  ILE  98          3HG2      ILE  98  -0.298  -7.215  -3.355
  725   HD11  ILE  98          3HD1      ILE  98   3.480  -8.204  -4.703
  726   HD12  ILE  98          1HD1      ILE  98   2.672  -7.231  -3.473
  727   HD13  ILE  98          2HD1      ILE  98   3.416  -6.450  -4.865
  728    H    GLY  99           H        GLY  99   2.323 -11.487  -3.070
  729    HA2  GLY  99           2HA      GLY  99  -0.022 -12.919  -2.372
  730    HA3  GLY  99           1HA      GLY  99   1.432 -12.776  -1.382
  731    H    VAL 100           H        VAL 100  -1.580 -12.455  -0.881
  732    HA   VAL 100           HA       VAL 100  -2.182  -9.781  -0.395
  733    HB   VAL 100           HB       VAL 100  -3.203 -12.320   0.838
  734   HG11  VAL 100          1HG1      VAL 100  -5.070 -11.035   1.767
  735   HG12  VAL 100          2HG1      VAL 100  -4.266  -9.543   1.280
  736   HG13  VAL 100          3HG1      VAL 100  -3.528 -10.585   2.495
  737   HG21  VAL 100          3HG2      VAL 100  -3.724 -12.014  -1.499
  738   HG22  VAL 100          1HG2      VAL 100  -4.348 -10.395  -1.176
  739   HG23  VAL 100          2HG2      VAL 100  -5.187 -11.809  -0.536
  740    H    ASP 101           H        ASP 101  -0.876 -12.225   1.850
  741    HA   ASP 101           HA       ASP 101  -0.499 -10.382   3.986
  742    HB2  ASP 101           2HB      ASP 101  -0.648 -12.771   4.422
  743    HB3  ASP 101           1HB      ASP 101   0.796 -13.064   3.459
  744    H    GLU 102           H        GLU 102   1.434 -11.401   1.259
  745    HA   GLU 102           HA       GLU 102   3.907 -10.307   2.056
  746    HB2  GLU 102           2HB      GLU 102   2.799 -10.672  -0.736
  747    HB3  GLU 102           1HB      GLU 102   4.478 -10.326  -0.354
  748    HG2  GLU 102           2HG      GLU 102   4.463 -12.474   0.993
  749    HG3  GLU 102           1HG      GLU 102   2.918 -12.822   0.223
  750    H    PHE 103           H        PHE 103   1.101  -8.905   0.442
  751    HA   PHE 103           HA       PHE 103   2.293  -6.439  -0.240
  752    HB2  PHE 103           2HB      PHE 103   0.075  -7.342  -1.096
  753    HB3  PHE 103           1HB      PHE 103  -0.625  -6.820   0.433
  754    HD1  PHE 103           1HD      PHE 103   1.196  -5.610  -2.552
  755    HD2  PHE 103           2HD      PHE 103  -1.296  -4.595   0.740
  756    HE1  PHE 103           1HE      PHE 103   0.910  -3.351  -3.475
  757    HE2  PHE 103           2HE      PHE 103  -1.593  -2.332  -0.183
  758    HZ   PHE 103           HZ       PHE 103  -0.489  -1.707  -2.291
  759    H    GLY 104           H        GLY 104   0.310  -7.402   2.562
  760    HA2  GLY 104           2HA      GLY 104   0.348  -5.003   3.965
  761    HA3  GLY 104           1HA      GLY 104   0.298  -6.589   4.721
  762    H    ALA 105           H        ALA 105   2.790  -7.531   3.826
  763    HA   ALA 105           HA       ALA 105   4.493  -6.497   5.825
  764    HB1  ALA 105           1HB      ALA 105   6.178  -7.991   4.901
  765    HB2  ALA 105           2HB      ALA 105   5.194  -8.234   3.459
  766    HB3  ALA 105           3HB      ALA 105   4.621  -8.807   5.025
  767    H    MET 106           H        MET 106   4.290  -5.909   2.327
  768    HA   MET 106           HA       MET 106   6.726  -4.432   2.195
  769    HB2  MET 106           2HB      MET 106   6.314  -4.170  -0.036
  770    HB3  MET 106           1HB      MET 106   5.180  -5.479   0.264
  771    HG2  MET 106           2HG      MET 106   3.343  -4.088   0.166
  772    HG3  MET 106           1HG      MET 106   4.282  -2.650   0.543
  773    HE1  MET 106           3HE      MET 106   4.730  -5.495  -2.209
  774    HE2  MET 106           1HE      MET 106   3.957  -4.681  -3.569
  775    HE3  MET 106           2HE      MET 106   3.015  -5.096  -2.136
  776    H    ILE 107           H        ILE 107   3.502  -3.647   3.155
  777    HA   ILE 107           HA       ILE 107   3.716  -0.812   2.736
  778    HB   ILE 107           HB       ILE 107   1.790  -2.317   4.531
  779   HG12  ILE 107          2HG1      ILE 107   1.437  -1.402   1.666
  780   HG13  ILE 107          1HG1      ILE 107   1.696  -3.070   2.169
  781   HG21  ILE 107          1HG2      ILE 107   0.386  -0.327   4.294
  782   HG22  ILE 107          2HG2      ILE 107   1.654   0.451   3.347
  783   HG23  ILE 107          3HG2      ILE 107   1.937   0.056   5.042
  784   HD11  ILE 107          3HD1      ILE 107  -0.662  -1.347   2.890
  785   HD12  ILE 107          1HD1      ILE 107  -0.400  -3.008   3.422
  786   HD13  ILE 107          2HD1      ILE 107  -0.640  -2.658   1.710
  787    H    LYS 108           H        LYS 108   4.296  -3.089   5.263
  788    HA   LYS 108           HA       LYS 108   4.844  -1.021   7.229
  789    HB2  LYS 108           2HB      LYS 108   3.621  -2.761   8.145
  790    HB3  LYS 108           1HB      LYS 108   4.499  -3.995   7.257
  791    HG2  LYS 108           2HG      LYS 108   5.987  -2.460   9.311
  792    HG3  LYS 108           1HG      LYS 108   4.787  -3.632   9.862
  793    HD2  LYS 108           2HD      LYS 108   5.882  -5.369   8.514
  794    HD3  LYS 108           1HD      LYS 108   7.090  -4.193   7.993
  795    HE2  LYS 108           2HE      LYS 108   6.595  -5.083  10.829
  796    HE3  LYS 108           1HE      LYS 108   7.928  -5.604   9.799
  797    HZ1  LYS 108           3HZ      LYS 108   8.612  -3.854  11.314
  798    HZ2  LYS 108           1HZ      LYS 108   7.430  -2.815  10.694
  799    HZ3  LYS 108           2HZ      LYS 108   8.710  -3.324   9.714
  800    H    ALA 109           H        ALA 109   6.551  -2.594   4.826
  801    HA   ALA 109           HA       ALA 109   9.085  -2.782   6.187
  802    HB1  ALA 109           1HB      ALA 109   8.498  -4.329   4.367
  803    HB2  ALA 109           2HB      ALA 109   9.982  -3.439   4.029
  804    HB3  ALA 109           3HB      ALA 109   8.475  -2.974   3.239
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1 -15.719   9.099  -7.462
    2    H2   MET   1           2HT      MET   1 -17.064   8.536  -6.607
    3    H3   MET   1           3HT      MET   1 -15.505   8.164  -6.073
    4    HA   MET   1           HA       MET   1 -15.059  10.451  -5.574
    5    HB2  MET   1           2HB      MET   1 -17.882  10.868  -6.575
    6    HB3  MET   1           1HB      MET   1 -16.971  12.074  -5.678
    7    HG2  MET   1           2HG      MET   1 -15.285  12.106  -7.454
    8    HG3  MET   1           1HG      MET   1 -16.225  10.919  -8.354
    9    HE1  MET   1           2HE      MET   1 -16.170  12.522 -10.462
   10    HE2  MET   1           3HE      MET   1 -15.264  13.734  -9.557
   11    HE3  MET   1           1HE      MET   1 -16.719  14.197 -10.438
   12    H    ALA   2           H        ALA   2 -15.148   8.575  -3.904
   13    HA   ALA   2           HA       ALA   2 -16.988   9.401  -1.811
   14    HB1  ALA   2           1HB      ALA   2 -17.776   7.139  -1.355
   15    HB2  ALA   2           2HB      ALA   2 -16.877   6.533  -2.746
   16    HB3  ALA   2           3HB      ALA   2 -18.228   7.640  -2.985
   17    H    PHE   3           H        PHE   3 -15.953   9.455   0.078
   18    HA   PHE   3           HA       PHE   3 -13.945   7.489   0.722
   19    HB2  PHE   3           2HB      PHE   3 -12.170   9.096   1.228
   20    HB3  PHE   3           1HB      PHE   3 -12.602   9.166  -0.473
   21    HD1  PHE   3           1HD      PHE   3 -14.285  11.034  -1.147
   22    HD2  PHE   3           2HD      PHE   3 -12.031  11.031   2.464
   23    HE1  PHE   3           1HE      PHE   3 -14.582  13.468  -0.962
   24    HE2  PHE   3           2HE      PHE   3 -12.328  13.465   2.654
   25    HZ   PHE   3           HZ       PHE   3 -13.604  14.685   0.942
   26    H    ALA   4           H        ALA   4 -14.153   6.944   2.772
   27    HA   ALA   4           HA       ALA   4 -16.074   8.318   4.406
   28    HB1  ALA   4           1HB      ALA   4 -15.751   6.488   5.971
   29    HB2  ALA   4           2HB      ALA   4 -14.346   5.935   5.059
   30    HB3  ALA   4           3HB      ALA   4 -15.952   5.874   4.331
   31    H    GLY   5           H        GLY   5 -12.765   8.679   3.957
   32    HA2  GLY   5           2HA      GLY   5 -11.716  10.556   5.126
   33    HA3  GLY   5           1HA      GLY   5 -12.506   9.990   6.593
   34    H    ILE   6           H        ILE   6 -11.919   7.174   5.918
   35    HA   ILE   6           HA       ILE   6  -9.501   6.718   7.183
   36    HB   ILE   6           HB       ILE   6 -10.862   5.034   5.069
   37   HG12  ILE   6          2HG1      ILE   6 -10.922   4.903   8.092
   38   HG13  ILE   6          1HG1      ILE   6 -12.239   5.432   7.051
   39   HG21  ILE   6          1HG2      ILE   6  -9.555   3.149   5.979
   40   HG22  ILE   6          2HG2      ILE   6  -8.653   4.288   6.980
   41   HG23  ILE   6          3HG2      ILE   6  -8.542   4.380   5.222
   42   HD11  ILE   6          3HD1      ILE   6 -11.063   2.663   7.112
   43   HD12  ILE   6          1HD1      ILE   6 -12.413   3.200   6.114
   44   HD13  ILE   6          2HD1      ILE   6 -12.574   3.161   7.868
   45    H    LEU   7           H        LEU   7 -10.175   6.729   3.710
   46    HA   LEU   7           HA       LEU   7  -7.422   7.623   3.289
   47    HB2  LEU   7           2HB      LEU   7  -7.312   6.500   1.185
   48    HB3  LEU   7           1HB      LEU   7  -7.785   5.343   2.398
   49    HG   LEU   7           HG       LEU   7  -9.002   4.769   0.492
   50   HD11  LEU   7          1HD1      LEU   7 -11.316   5.070   1.020
   51   HD12  LEU   7          2HD1      LEU   7 -10.940   6.442   2.060
   52   HD13  LEU   7          3HD1      LEU   7 -10.396   4.823   2.504
   53   HD21  LEU   7          3HD2      LEU   7  -8.606   6.730  -0.852
   54   HD22  LEU   7          1HD2      LEU   7  -9.742   7.662   0.126
   55   HD23  LEU   7          2HD2      LEU   7 -10.321   6.320  -0.861
   56    H    ASN   8           H        ASN   8  -7.127   9.436   2.150
   57    HA   ASN   8           HA       ASN   8  -9.500  10.912   1.301
   58    HB2  ASN   8           2HB      ASN   8  -6.648  11.654   1.852
   59    HB3  ASN   8           1HB      ASN   8  -7.680  12.728   0.910
   60   HD21  ASN   8          1HD2      ASN   8  -7.355  11.082   3.981
   61   HD22  ASN   8          2HD2      ASN   8  -8.296  12.204   4.902
   62    H    ASP   9           H        ASP   9 -10.146  10.666  -0.698
   63    HA   ASP   9           HA       ASP   9  -8.885   9.284  -2.729
   64    HB2  ASP   9           2HB      ASP   9 -11.267   9.767  -2.785
   65    HB3  ASP   9           1HB      ASP   9 -10.948  11.492  -2.920
   66    H    ALA  10           H        ALA  10  -8.823  12.710  -2.001
   67    HA   ALA  10           HA       ALA  10  -7.362  13.528  -4.300
   68    HB1  ALA  10           1HB      ALA  10  -8.707  15.093  -3.055
   69    HB2  ALA  10           2HB      ALA  10  -7.022  15.612  -2.987
   70    HB3  ALA  10           3HB      ALA  10  -7.758  14.807  -1.596
   71    H    ASP  11           H        ASP  11  -6.449  12.418  -1.086
   72    HA   ASP  11           HA       ASP  11  -3.718  13.236  -1.263
   73    HB2  ASP  11           2HB      ASP  11  -5.277  12.499   0.812
   74    HB3  ASP  11           1HB      ASP  11  -4.428  10.982   0.530
   75    H    ILE  12           H        ILE  12  -5.394  10.164  -1.514
   76    HA   ILE  12           HA       ILE  12  -3.278   8.516  -2.236
   77    HB   ILE  12           HB       ILE  12  -6.219   8.480  -2.722
   78   HG12  ILE  12          2HG1      ILE  12  -6.013   6.298  -1.512
   79   HG13  ILE  12          1HG1      ILE  12  -4.287   6.590  -1.366
   80   HG21  ILE  12          1HG2      ILE  12  -4.322   6.493  -3.972
   81   HG22  ILE  12          2HG2      ILE  12  -5.358   7.635  -4.829
   82   HG23  ILE  12          3HG2      ILE  12  -6.076   6.322  -3.897
   83   HD11  ILE  12          3HD1      ILE  12  -4.761   8.606  -0.053
   84   HD12  ILE  12          1HD1      ILE  12  -5.419   7.146   0.686
   85   HD13  ILE  12          2HD1      ILE  12  -6.485   8.258  -0.172
   86    H    THR  13           H        THR  13  -5.521  10.259  -4.383
   87    HA   THR  13           HA       THR  13  -4.418   9.584  -6.821
   88    HB   THR  13           HB       THR  13  -5.750  12.180  -6.028
   89    HG1  THR  13           1HG      THR  13  -7.208  10.579  -5.692
   90   HG21  THR  13          3HG2      THR  13  -5.401  10.961  -8.769
   91   HG22  THR  13          1HG2      THR  13  -4.552  12.384  -8.161
   92   HG23  THR  13          2HG2      THR  13  -6.302  12.432  -8.384
   93    H    ALA  14           H        ALA  14  -3.378  12.069  -4.543
   94    HA   ALA  14           HA       ALA  14  -1.622  13.425  -6.284
   95    HB1  ALA  14           1HB      ALA  14  -1.468  13.207  -3.285
   96    HB2  ALA  14           2HB      ALA  14  -2.409  14.395  -4.184
   97    HB3  ALA  14           3HB      ALA  14  -0.648  14.403  -4.287
   98    H    ALA  15           H        ALA  15  -0.992  10.809  -3.899
   99    HA   ALA  15           HA       ALA  15   1.721  10.460  -4.512
  100    HB1  ALA  15           1HB      ALA  15   0.719   9.388  -2.599
  101    HB2  ALA  15           2HB      ALA  15   1.444   8.169  -3.652
  102    HB3  ALA  15           3HB      ALA  15  -0.306   8.408  -3.649
  103    H    LEU  16           H        LEU  16  -1.175   9.064  -5.996
  104    HA   LEU  16           HA       LEU  16   0.039   7.332  -7.807
  105    HB2  LEU  16           2HB      LEU  16  -2.549   8.783  -7.713
  106    HB3  LEU  16           1HB      LEU  16  -2.072   8.101  -9.255
  107    HG   LEU  16           HG       LEU  16  -3.538   6.576  -8.100
  108   HD11  LEU  16          1HD1      LEU  16  -0.710   5.539  -8.024
  109   HD12  LEU  16          2HD1      LEU  16  -1.730   5.628  -9.459
  110   HD13  LEU  16          3HD1      LEU  16  -2.182   4.573  -8.121
  111   HD21  LEU  16          3HD2      LEU  16  -1.519   6.585  -5.870
  112   HD22  LEU  16          1HD2      LEU  16  -2.949   5.557  -5.975
  113   HD23  LEU  16          2HD2      LEU  16  -3.129   7.306  -5.820
  114    H    ALA  17           H        ALA  17  -0.759  10.760  -8.165
  115    HA   ALA  17           HA       ALA  17   0.191  11.023 -10.813
  116    HB1  ALA  17           1HB      ALA  17  -1.347  12.626  -9.771
  117    HB2  ALA  17           2HB      ALA  17   0.088  13.420 -10.419
  118    HB3  ALA  17           3HB      ALA  17  -0.059  13.145  -8.683
  119    H    ALA  18           H        ALA  18   1.782  10.950  -7.739
  120    HA   ALA  18           HA       ALA  18   4.186  12.248  -8.646
  121    HB1  ALA  18           1HB      ALA  18   3.478  12.391  -6.304
  122    HB2  ALA  18           2HB      ALA  18   5.081  11.675  -6.456
  123    HB3  ALA  18           3HB      ALA  18   3.684  10.647  -6.138
  124    H    CYS  19           H        CYS  19   3.151   8.926  -7.968
  125    HA   CYS  19           HA       CYS  19   5.710   7.826  -8.685
  126    HB2  CYS  19           2HB      CYS  19   4.555   5.632  -8.442
  127    HB3  CYS  19           1HB      CYS  19   4.393   6.669  -7.028
  128    HG   CYS  19           HG       CYS  19   1.858   7.157  -9.085
  129    H    LYS  20           H        LYS  20   3.146   9.005 -10.437
  130    HA   LYS  20           HA       LYS  20   3.026   7.231 -12.628
  131    HB2  LYS  20           2HB      LYS  20   1.513   9.270 -11.928
  132    HB3  LYS  20           1HB      LYS  20   2.622  10.191 -12.927
  133    HG2  LYS  20           2HG      LYS  20   1.055   7.811 -13.897
  134    HG3  LYS  20           1HG      LYS  20   0.528   9.481 -14.068
  135    HD2  LYS  20           2HD      LYS  20   3.052   8.302 -15.229
  136    HD3  LYS  20           1HD      LYS  20   1.566   8.626 -16.120
  137    HE2  LYS  20           2HE      LYS  20   1.797  11.021 -15.554
  138    HE3  LYS  20           1HE      LYS  20   3.326  10.662 -14.757
  139    HZ1  LYS  20           3HZ      LYS  20   4.176   9.850 -16.883
  140    HZ2  LYS  20           1HZ      LYS  20   3.702  11.471 -16.977
  141    HZ3  LYS  20           2HZ      LYS  20   2.719  10.264 -17.634
  142    H    ALA  21           H        ALA  21   5.071   9.969 -11.831
  143    HA   ALA  21           HA       ALA  21   6.327  10.320 -14.314
  144    HB1  ALA  21           1HB      ALA  21   8.069  11.499 -13.049
  145    HB2  ALA  21           2HB      ALA  21   7.381  10.882 -11.546
  146    HB3  ALA  21           3HB      ALA  21   6.449  11.987 -12.554
  147    H    GLU  22           H        GLU  22   7.462   8.867 -15.397
  148    HA   GLU  22           HA       GLU  22   8.503   6.498 -14.323
  149    HB2  GLU  22           2HB      GLU  22   7.975   6.787 -16.710
  150    HB3  GLU  22           1HB      GLU  22   9.309   7.923 -16.866
  151    HG2  GLU  22           2HG      GLU  22   9.900   5.717 -17.710
  152    HG3  GLU  22           1HG      GLU  22  10.897   6.173 -16.332
  153    H    GLY  23           H        GLY  23  10.369   5.986 -13.382
  154    HA2  GLY  23           2HA      GLY  23  12.611   6.204 -12.746
  155    HA3  GLY  23           1HA      GLY  23  12.654   7.782 -13.516
  156    H    SER  24           H        SER  24   9.980   8.148 -11.894
  157    HA   SER  24           HA       SER  24  11.292   8.865  -9.360
  158    HB2  SER  24           2HB      SER  24  10.957  10.838 -10.873
  159    HB3  SER  24           1HB      SER  24   9.221  10.540 -10.805
  160    HG   SER  24           HG       SER  24  10.969  11.327  -8.718
  161    H    PHE  25           H        PHE  25  10.067   6.511  -9.524
  162    HA   PHE  25           HA       PHE  25   7.375   6.895  -8.437
  163    HB2  PHE  25           2HB      PHE  25   7.164   4.390  -8.815
  164    HB3  PHE  25           1HB      PHE  25   7.249   5.393 -10.262
  165    HD1  PHE  25           1HD      PHE  25   9.504   5.569 -11.451
  166    HD2  PHE  25           2HD      PHE  25   8.647   2.640  -8.491
  167    HE1  PHE  25           1HE      PHE  25  11.369   4.196 -12.275
  168    HE2  PHE  25           2HE      PHE  25  10.514   1.264  -9.303
  169    HZ   PHE  25           HZ       PHE  25  11.879   2.040 -11.199
  170    H    ASP  26           H        ASP  26   6.964   6.522  -6.381
  171    HA   ASP  26           HA       ASP  26   8.802   4.878  -4.824
  172    HB2  ASP  26           2HB      ASP  26   8.354   6.720  -2.951
  173    HB3  ASP  26           1HB      ASP  26   9.714   6.822  -4.060
  174    H    HIS  27           H        HIS  27   7.283   3.288  -4.791
  175    HA   HIS  27           HA       HIS  27   4.579   3.666  -4.081
  176    HB2  HIS  27           2HB      HIS  27   5.693   1.724  -5.340
  177    HB3  HIS  27           1HB      HIS  27   6.077   1.087  -3.750
  178    HD1  HIS  27           1HD      HIS  27   3.717   0.715  -6.311
  179    HD2  HIS  27           2HD      HIS  27   3.458   0.911  -2.163
  180    HE1  HIS  27           1HE      HIS  27   1.525  -0.379  -5.709
  181    HE2  HIS  27           2HE      HIS  27   1.498  -0.424  -3.191
  182    H    LYS  28           H        LYS  28   7.444   3.042  -2.158
  183    HA   LYS  28           HA       LYS  28   6.093   2.385   0.243
  184    HB2  LYS  28           2HB      LYS  28   8.532   2.060  -0.076
  185    HB3  LYS  28           1HB      LYS  28   8.719   3.811  -0.094
  186    HG2  LYS  28           2HG      LYS  28   7.953   3.966   2.185
  187    HG3  LYS  28           1HG      LYS  28   7.628   2.234   2.222
  188    HD2  LYS  28           2HD      LYS  28   9.992   1.759   1.954
  189    HD3  LYS  28           1HD      LYS  28  10.342   3.484   1.819
  190    HE2  LYS  28           2HE      LYS  28  10.819   2.596   4.067
  191    HE3  LYS  28           1HE      LYS  28   9.587   3.855   4.084
  192    HZ1  LYS  28           3HZ      LYS  28   7.888   2.152   4.233
  193    HZ2  LYS  28           1HZ      LYS  28   8.990   1.984   5.502
  194    HZ3  LYS  28           2HZ      LYS  28   9.057   0.928   4.182
  195    H    ALA  29           H        ALA  29   7.173   5.401  -1.208
  196    HA   ALA  29           HA       ALA  29   6.365   7.131   0.848
  197    HB1  ALA  29           1HB      ALA  29   6.525   7.689  -2.108
  198    HB2  ALA  29           2HB      ALA  29   7.858   7.821  -0.963
  199    HB3  ALA  29           3HB      ALA  29   6.466   8.894  -0.824
  200    H    PHE  30           H        PHE  30   4.651   5.625  -1.807
  201    HA   PHE  30           HA       PHE  30   2.236   6.989  -1.695
  202    HB2  PHE  30           2HB      PHE  30   2.556   5.402  -3.441
  203    HB3  PHE  30           1HB      PHE  30   2.876   4.101  -2.302
  204    HD1  PHE  30           1HD      PHE  30   0.201   6.380  -3.502
  205    HD2  PHE  30           2HD      PHE  30   1.159   2.705  -1.582
  206    HE1  PHE  30           1HE      PHE  30  -2.167   5.716  -3.595
  207    HE2  PHE  30           2HE      PHE  30  -1.206   2.035  -1.672
  208    HZ   PHE  30           HZ       PHE  30  -2.873   3.543  -2.678
  209    H    PHE  31           H        PHE  31   3.264   4.135   0.223
  210    HA   PHE  31           HA       PHE  31   0.846   3.942   1.670
  211    HB2  PHE  31           2HB      PHE  31   3.581   3.049   2.608
  212    HB3  PHE  31           1HB      PHE  31   2.041   2.544   3.271
  213    HD1  PHE  31           1HD      PHE  31   0.394   1.782   1.152
  214    HD2  PHE  31           2HD      PHE  31   4.615   1.372   1.457
  215    HE1  PHE  31           1HE      PHE  31   0.314  -0.127  -0.396
  216    HE2  PHE  31           2HE      PHE  31   4.545  -0.536  -0.091
  217    HZ   PHE  31           HZ       PHE  31   2.391  -1.289  -1.019
  218    H    THR  32           H        THR  32   3.889   5.612   2.420
  219    HA   THR  32           HA       THR  32   2.957   6.350   5.025
  220    HB   THR  32           HB       THR  32   5.287   6.037   4.861
  221    HG1  THR  32           1HG      THR  32   4.288   8.312   5.705
  222   HG21  THR  32          3HG2      THR  32   6.729   7.450   3.396
  223   HG22  THR  32          1HG2      THR  32   5.267   8.032   2.603
  224   HG23  THR  32          2HG2      THR  32   5.696   6.320   2.522
  225    H    LYS  33           H        LYS  33   2.698   7.788   1.884
  226    HA   LYS  33           HA       LYS  33   2.242  10.441   2.906
  227    HB2  LYS  33           2HB      LYS  33   2.185  11.161   0.724
  228    HB3  LYS  33           1HB      LYS  33   3.233   9.767   0.615
  229    HG2  LYS  33           2HG      LYS  33   1.922   9.418  -1.188
  230    HG3  LYS  33           1HG      LYS  33   0.972   8.558   0.024
  231    HD2  LYS  33           2HD      LYS  33  -0.505   9.956  -1.274
  232    HD3  LYS  33           1HD      LYS  33  -0.382  10.608   0.358
  233    HE2  LYS  33           2HE      LYS  33   1.352  12.203  -0.499
  234    HE3  LYS  33           1HE      LYS  33   0.993  11.625  -2.123
  235    HZ1  LYS  33           3HZ      LYS  33  -1.267  12.363  -1.869
  236    HZ2  LYS  33           1HZ      LYS  33  -0.220  13.656  -1.562
  237    HZ3  LYS  33           2HZ      LYS  33  -0.979  12.851  -0.278
  238    H    VAL  34           H        VAL  34   0.230   7.748   1.798
  239    HA   VAL  34           HA       VAL  34  -2.191   9.257   2.212
  240    HB   VAL  34           HB       VAL  34  -3.323   7.271   1.531
  241   HG11  VAL  34          1HG1      VAL  34  -2.346   6.877  -0.670
  242   HG12  VAL  34          2HG1      VAL  34  -0.858   7.652  -0.131
  243   HG13  VAL  34          3HG1      VAL  34  -2.347   8.589  -0.246
  244   HG21  VAL  34          3HG2      VAL  34  -2.046   5.615   2.773
  245   HG22  VAL  34          1HG2      VAL  34  -0.688   5.838   1.669
  246   HG23  VAL  34          2HG2      VAL  34  -2.203   5.155   1.077
  247    H    GLY  35           H        GLY  35  -0.015   7.504   4.089
  248    HA2  GLY  35           2HA      GLY  35  -0.025   7.150   6.373
  249    HA3  GLY  35           1HA      GLY  35  -1.691   7.702   6.423
  250    H    LEU  36           H        LEU  36  -0.560   5.140   4.309
  251    HA   LEU  36           HA       LEU  36  -2.644   3.426   5.285
  252    HB2  LEU  36           2HB      LEU  36  -1.772   3.600   2.880
  253    HB3  LEU  36           1HB      LEU  36  -0.451   2.579   3.419
  254    HG   LEU  36           HG       LEU  36  -2.326   0.988   4.243
  255   HD11  LEU  36          1HD1      LEU  36  -4.375   1.105   2.933
  256   HD12  LEU  36          2HD1      LEU  36  -3.829   2.608   2.196
  257   HD13  LEU  36          3HD1      LEU  36  -4.170   2.546   3.924
  258   HD21  LEU  36          3HD2      LEU  36  -2.406  -0.102   2.064
  259   HD22  LEU  36          1HD2      LEU  36  -0.779   0.456   2.450
  260   HD23  LEU  36          2HD2      LEU  36  -1.773   1.359   1.306
  261    H    ALA  37           H        ALA  37   0.776   3.737   5.811
  262    HA   ALA  37           HA       ALA  37   1.202   1.099   6.807
  263    HB1  ALA  37           1HB      ALA  37   2.834   3.606   7.181
  264    HB2  ALA  37           2HB      ALA  37   3.041   2.401   5.911
  265    HB3  ALA  37           3HB      ALA  37   3.358   1.974   7.592
  266    H    ALA  38           H        ALA  38  -0.203   3.912   8.122
  267    HA   ALA  38           HA       ALA  38   0.022   2.823  10.846
  268    HB1  ALA  38           1HB      ALA  38  -0.588   5.043  11.642
  269    HB2  ALA  38           2HB      ALA  38  -0.766   5.605   9.979
  270    HB3  ALA  38           3HB      ALA  38   0.820   5.125  10.585
  271    H    LYS  39           H        LYS  39  -1.799   1.904   8.690
  272    HA   LYS  39           HA       LYS  39  -4.429   2.770   9.586
  273    HB2  LYS  39           2HB      LYS  39  -3.491   0.951   7.375
  274    HB3  LYS  39           1HB      LYS  39  -5.190   1.130   7.788
  275    HG2  LYS  39           2HG      LYS  39  -3.444   3.471   7.091
  276    HG3  LYS  39           1HG      LYS  39  -4.332   2.543   5.881
  277    HD2  LYS  39           2HD      LYS  39  -6.432   3.070   6.966
  278    HD3  LYS  39           1HD      LYS  39  -5.580   3.906   8.263
  279    HE2  LYS  39           2HE      LYS  39  -5.293   4.742   5.398
  280    HE3  LYS  39           1HE      LYS  39  -6.624   5.320   6.398
  281    HZ1  LYS  39           3HZ      LYS  39  -4.767   6.862   6.410
  282    HZ2  LYS  39           1HZ      LYS  39  -3.738   5.657   7.011
  283    HZ3  LYS  39           2HZ      LYS  39  -5.024   6.222   7.955
  284    H    SER  40           H        SER  40  -6.091   1.149  10.045
  285    HA   SER  40           HA       SER  40  -5.159  -0.616  12.111
  286    HB2  SER  40           2HB      SER  40  -7.965  -0.194  11.068
  287    HB3  SER  40           1HB      SER  40  -7.515  -0.922  12.608
  288    HG   SER  40           HG       SER  40  -8.150   1.370  12.634
  289    HA   PRO  41           HA       PRO  41  -4.719  -4.472  10.110
  290    HB2  PRO  41           2HB      PRO  41  -6.758  -5.525  12.018
  291    HB3  PRO  41           1HB      PRO  41  -5.163  -6.168  11.609
  292    HG2  PRO  41           2HG      PRO  41  -5.544  -4.841  13.881
  293    HG3  PRO  41           1HG      PRO  41  -4.054  -4.628  12.942
  294    HD2  PRO  41           2HD      PRO  41  -6.382  -2.801  13.245
  295    HD3  PRO  41           1HD      PRO  41  -4.668  -2.418  12.997
  296    H    ALA  42           H        ALA  42  -8.164  -4.146  11.048
  297    HA   ALA  42           HA       ALA  42  -9.116  -5.773   8.955
  298    HB1  ALA  42           1HB      ALA  42 -11.331  -4.932   9.529
  299    HB2  ALA  42           2HB      ALA  42 -10.602  -3.656  10.503
  300    HB3  ALA  42           3HB      ALA  42 -10.411  -5.343  10.976
  301    H    ASP  43           H        ASP  43  -8.418  -2.350   9.111
  302    HA   ASP  43           HA       ASP  43  -9.777  -1.700   6.681
  303    HB2  ASP  43           2HB      ASP  43  -9.329   0.027   8.344
  304    HB3  ASP  43           1HB      ASP  43  -7.596  -0.209   8.145
  305    H    ILE  44           H        ILE  44  -6.362  -2.245   7.527
  306    HA   ILE  44           HA       ILE  44  -5.422  -2.112   4.884
  307    HB   ILE  44           HB       ILE  44  -4.318  -2.700   7.450
  308   HG12  ILE  44          2HG1      ILE  44  -2.967  -2.166   4.797
  309   HG13  ILE  44          1HG1      ILE  44  -3.670  -0.932   5.839
  310   HG21  ILE  44          1HG2      ILE  44  -2.619  -4.352   6.876
  311   HG22  ILE  44          2HG2      ILE  44  -3.381  -4.599   5.304
  312   HG23  ILE  44          3HG2      ILE  44  -4.239  -5.042   6.781
  313   HD11  ILE  44          3HD1      ILE  44  -1.375  -2.741   6.555
  314   HD12  ILE  44          1HD1      ILE  44  -2.052  -1.466   7.570
  315   HD13  ILE  44          2HD1      ILE  44  -1.250  -1.053   6.052
  316    H    LYS  45           H        LYS  45  -7.185  -4.535   6.574
  317    HA   LYS  45           HA       LYS  45  -6.622  -6.743   4.899
  318    HB2  LYS  45           2HB      LYS  45  -7.655  -7.047   7.080
  319    HB3  LYS  45           1HB      LYS  45  -9.065  -6.131   6.570
  320    HG2  LYS  45           2HG      LYS  45  -9.497  -8.530   6.576
  321    HG3  LYS  45           1HG      LYS  45  -9.633  -7.851   4.957
  322    HD2  LYS  45           2HD      LYS  45  -8.456  -9.988   4.921
  323    HD3  LYS  45           1HD      LYS  45  -7.399  -8.675   4.414
  324    HE2  LYS  45           2HE      LYS  45  -6.233 -10.209   5.902
  325    HE3  LYS  45           1HE      LYS  45  -6.400  -8.620   6.645
  326    HZ1  LYS  45           3HZ      LYS  45  -6.881 -10.404   8.203
  327    HZ2  LYS  45           1HZ      LYS  45  -8.123 -10.972   7.205
  328    HZ3  LYS  45           2HZ      LYS  45  -8.255  -9.454   7.939
  329    H    LYS  46           H        LYS  46  -9.204  -4.255   4.771
  330    HA   LYS  46           HA       LYS  46 -10.306  -5.368   2.383
  331    HB2  LYS  46           2HB      LYS  46 -11.523  -3.208   2.135
  332    HB3  LYS  46           1HB      LYS  46 -11.759  -3.976   3.691
  333    HG2  LYS  46           2HG      LYS  46 -11.536  -1.732   4.206
  334    HG3  LYS  46           1HG      LYS  46  -9.935  -2.388   4.537
  335    HD2  LYS  46           2HD      LYS  46  -9.117  -0.783   3.224
  336    HD3  LYS  46           1HD      LYS  46  -9.845  -1.632   1.860
  337    HE2  LYS  46           2HE      LYS  46 -10.487   0.722   1.884
  338    HE3  LYS  46           1HE      LYS  46 -11.885  -0.322   2.125
  339    HZ1  LYS  46           3HZ      LYS  46 -10.414   0.912   4.390
  340    HZ2  LYS  46           1HZ      LYS  46 -11.952   0.202   4.400
  341    HZ3  LYS  46           2HZ      LYS  46 -11.714   1.679   3.618
  342    H    VAL  47           H        VAL  47  -7.677  -3.218   3.080
  343    HA   VAL  47           HA       VAL  47  -7.187  -2.321   0.456
  344    HB   VAL  47           HB       VAL  47  -5.181  -2.932   2.637
  345   HG11  VAL  47          1HG1      VAL  47  -4.887  -1.240   0.158
  346   HG12  VAL  47          2HG1      VAL  47  -4.149  -2.821   0.421
  347   HG13  VAL  47          3HG1      VAL  47  -3.677  -1.449   1.423
  348   HG21  VAL  47          3HG2      VAL  47  -6.902  -1.276   3.262
  349   HG22  VAL  47          1HG2      VAL  47  -6.444  -0.304   1.865
  350   HG23  VAL  47          2HG2      VAL  47  -5.287  -0.579   3.167
  351    H    PHE  48           H        PHE  48  -6.327  -5.225   2.212
  352    HA   PHE  48           HA       PHE  48  -4.725  -6.454   0.289
  353    HB2  PHE  48           2HB      PHE  48  -6.481  -7.627   2.431
  354    HB3  PHE  48           1HB      PHE  48  -5.407  -8.593   1.432
  355    HD1  PHE  48           2HD      PHE  48  -3.229  -6.293   1.416
  356    HD2  PHE  48           1HD      PHE  48  -5.383  -8.349   4.457
  357    HE1  PHE  48           2HE      PHE  48  -1.392  -5.885   2.992
  358    HE2  PHE  48           1HE      PHE  48  -3.547  -7.944   6.038
  359    HZ   PHE  48           HZ       PHE  48  -1.546  -6.713   5.304
  360    H    GLU  49           H        GLU  49  -8.211  -6.230   0.556
  361    HA   GLU  49           HA       GLU  49  -8.565  -8.111  -1.613
  362    HB2  GLU  49           2HB      GLU  49 -10.858  -7.942  -1.279
  363    HB3  GLU  49           1HB      GLU  49 -10.198  -7.712   0.333
  364    HG2  GLU  49           2HG      GLU  49 -10.518  -5.323   0.154
  365    HG3  GLU  49           1HG      GLU  49 -11.126  -5.513  -1.492
  366    H    ILE  50           H        ILE  50  -7.894  -4.775  -1.332
  367    HA   ILE  50           HA       ILE  50  -9.101  -3.934  -3.769
  368    HB   ILE  50           HB       ILE  50  -6.703  -2.653  -2.450
  369   HG12  ILE  50          2HG1      ILE  50  -9.630  -2.003  -2.047
  370   HG13  ILE  50          1HG1      ILE  50  -8.645  -2.897  -0.893
  371   HG21  ILE  50          1HG2      ILE  50  -7.512  -0.629  -3.583
  372   HG22  ILE  50          2HG2      ILE  50  -8.800  -1.570  -4.331
  373   HG23  ILE  50          3HG2      ILE  50  -7.118  -1.906  -4.731
  374   HD11  ILE  50          3HD1      ILE  50  -8.746  -0.658  -0.133
  375   HD12  ILE  50          1HD1      ILE  50  -8.349  -0.028  -1.733
  376   HD13  ILE  50          2HD1      ILE  50  -7.129  -0.899  -0.804
  377    H    ILE  51           H        ILE  51  -5.822  -5.183  -2.988
  378    HA   ILE  51           HA       ILE  51  -4.800  -4.786  -5.610
  379    HB   ILE  51           HB       ILE  51  -3.259  -6.867  -5.004
  380   HG12  ILE  51          2HG1      ILE  51  -4.887  -7.094  -2.855
  381   HG13  ILE  51          1HG1      ILE  51  -3.188  -7.563  -2.794
  382   HG21  ILE  51          1HG2      ILE  51  -3.008  -4.210  -3.597
  383   HG22  ILE  51          2HG2      ILE  51  -2.552  -4.543  -5.266
  384   HG23  ILE  51          3HG2      ILE  51  -1.704  -5.351  -3.945
  385   HD11  ILE  51          3HD1      ILE  51  -3.409  -6.287  -0.901
  386   HD12  ILE  51          1HD1      ILE  51  -4.548  -5.159  -1.646
  387   HD13  ILE  51          2HD1      ILE  51  -2.833  -5.091  -2.053
  388    H    ASP  52           H        ASP  52  -6.866  -7.166  -4.207
  389    HA   ASP  52           HA       ASP  52  -6.738  -8.879  -6.531
  390    HB2  ASP  52           2HB      ASP  52  -7.273  -9.635  -4.094
  391    HB3  ASP  52           1HB      ASP  52  -8.885  -9.002  -4.422
  392    H    GLN  53           H        GLN  53  -7.320  -6.967  -7.962
  393    HA   GLN  53           HA       GLN  53  -9.666  -5.498  -7.791
  394    HB2  GLN  53           2HB      GLN  53  -7.928  -4.959  -9.412
  395    HB3  GLN  53           1HB      GLN  53  -8.246  -6.454 -10.285
  396    HG2  GLN  53           2HG      GLN  53 -10.595  -5.598 -10.636
  397    HG3  GLN  53           1HG      GLN  53 -10.022  -4.047 -10.032
  398   HE21  GLN  53          1HE2      GLN  53  -8.080  -6.208 -11.986
  399   HE22  GLN  53          2HE2      GLN  53  -8.043  -5.205 -13.388
  400    H    ASP  54           H        ASP  54  -9.108  -8.655  -9.131
  401    HA   ASP  54           HA       ASP  54 -11.735  -8.950 -10.260
  402    HB2  ASP  54           2HB      ASP  54  -9.795 -10.095 -11.219
  403    HB3  ASP  54           1HB      ASP  54  -9.581 -11.003  -9.727
  404    H    LYS  55           H        LYS  55 -10.423  -9.388  -7.128
  405    HA   LYS  55           HA       LYS  55 -11.194 -10.278  -5.186
  406    HB2  LYS  55           2HB      LYS  55 -13.735  -9.619  -6.623
  407    HB3  LYS  55           1HB      LYS  55 -13.776 -10.341  -5.024
  408    HG2  LYS  55           2HG      LYS  55 -12.297  -7.803  -5.664
  409    HG3  LYS  55           1HG      LYS  55 -13.971  -7.840  -5.114
  410    HD2  LYS  55           2HD      LYS  55 -11.605  -8.959  -3.607
  411    HD3  LYS  55           1HD      LYS  55 -12.400  -7.422  -3.267
  412    HE2  LYS  55           2HE      LYS  55 -14.523  -8.706  -2.901
  413    HE3  LYS  55           1HE      LYS  55 -13.577 -10.188  -3.026
  414    HZ1  LYS  55           3HZ      LYS  55 -13.867  -9.585  -0.730
  415    HZ2  LYS  55           1HZ      LYS  55 -13.225  -8.040  -1.003
  416    HZ3  LYS  55           2HZ      LYS  55 -12.237  -9.411  -1.141
  417    H    SER  56           H        SER  56 -10.131 -12.232  -6.219
  418    HA   SER  56           HA       SER  56 -12.064 -14.448  -6.395
  419    HB2  SER  56           2HB      SER  56  -9.850 -15.323  -7.765
  420    HB3  SER  56           1HB      SER  56 -11.295 -14.640  -8.514
  421    HG   SER  56           HG       SER  56 -10.131 -13.037  -9.141
  422    H    ASP  57           H        ASP  57  -9.935 -13.074  -4.460
  423    HA   ASP  57           HA       ASP  57  -8.869 -13.735  -2.572
  424    HB2  ASP  57           2HB      ASP  57  -9.673 -16.521  -3.418
  425    HB3  ASP  57           1HB      ASP  57  -8.777 -16.170  -1.944
  426    H    PHE  58           H        PHE  58  -7.925 -13.992  -5.563
  427    HA   PHE  58           HA       PHE  58  -5.166 -14.640  -4.804
  428    HB2  PHE  58           2HB      PHE  58  -6.510 -15.505  -7.380
  429    HB3  PHE  58           1HB      PHE  58  -4.792 -15.669  -7.028
  430    HD1  PHE  58           1HD      PHE  58  -3.999 -17.334  -5.459
  431    HD2  PHE  58           2HD      PHE  58  -8.140 -16.952  -6.353
  432    HE1  PHE  58           1HE      PHE  58  -4.418 -19.533  -4.443
  433    HE2  PHE  58           2HE      PHE  58  -8.566 -19.150  -5.337
  434    HZ   PHE  58           HZ       PHE  58  -6.704 -20.441  -4.381
  435    H    VAL  59           H        VAL  59  -3.890 -12.964  -5.216
  436    HA   VAL  59           HA       VAL  59  -4.910 -10.834  -6.961
  437    HB   VAL  59           HB       VAL  59  -2.804 -10.751  -4.818
  438   HG11  VAL  59          1HG1      VAL  59  -4.018  -8.406  -6.187
  439   HG12  VAL  59          2HG1      VAL  59  -2.525  -9.166  -6.740
  440   HG13  VAL  59          3HG1      VAL  59  -2.613  -8.471  -5.123
  441   HG21  VAL  59          3HG2      VAL  59  -4.390  -9.511  -3.508
  442   HG22  VAL  59          1HG2      VAL  59  -5.075 -11.073  -3.959
  443   HG23  VAL  59          2HG2      VAL  59  -5.569  -9.611  -4.813
  444    H    GLU  60           H        GLU  60  -4.102 -10.878  -8.954
  445    HA   GLU  60           HA       GLU  60  -1.468 -12.020  -9.438
  446    HB2  GLU  60           2HB      GLU  60  -3.527 -11.083 -11.424
  447    HB3  GLU  60           1HB      GLU  60  -2.094 -12.044 -11.766
  448    HG2  GLU  60           2HG      GLU  60  -4.370 -12.906 -10.020
  449    HG3  GLU  60           1HG      GLU  60  -4.147 -13.384 -11.701
  450    H    GLU  61           H        GLU  61  -0.483 -10.816 -11.587
  451    HA   GLU  61           HA       GLU  61   0.462  -8.274 -10.598
  452    HB2  GLU  61           2HB      GLU  61   2.010  -9.808 -11.672
  453    HB3  GLU  61           1HB      GLU  61   1.035  -9.835 -13.129
  454    HG2  GLU  61           2HG      GLU  61   2.224  -7.265 -12.171
  455    HG3  GLU  61           1HG      GLU  61   3.208  -8.435 -13.039
  456    H    ASP  62           H        ASP  62  -1.323  -9.338 -13.487
  457    HA   ASP  62           HA       ASP  62  -1.677  -6.728 -14.510
  458    HB2  ASP  62           2HB      ASP  62  -3.275  -7.694 -16.044
  459    HB3  ASP  62           1HB      ASP  62  -1.903  -8.792 -15.865
  460    H    GLU  63           H        GLU  63  -3.290  -8.539 -12.065
  461    HA   GLU  63           HA       GLU  63  -5.597  -6.923 -11.835
  462    HB2  GLU  63           2HB      GLU  63  -4.134  -8.728  -9.943
  463    HB3  GLU  63           1HB      GLU  63  -5.433  -7.695  -9.359
  464    HG2  GLU  63           2HG      GLU  63  -6.900  -8.709 -11.109
  465    HG3  GLU  63           1HG      GLU  63  -5.604  -9.867 -11.421
  466    H    LEU  64           H        LEU  64  -2.308  -6.671 -10.583
  467    HA   LEU  64           HA       LEU  64  -2.920  -4.483  -8.895
  468    HB2  LEU  64           2HB      LEU  64  -0.556  -5.992  -9.525
  469    HB3  LEU  64           1HB      LEU  64  -0.223  -4.270  -9.399
  470    HG   LEU  64           HG       LEU  64  -1.801  -4.641  -7.232
  471   HD11  LEU  64          1HD1      LEU  64  -0.990  -6.654  -6.084
  472   HD12  LEU  64          2HD1      LEU  64  -0.229  -7.173  -7.588
  473   HD13  LEU  64          3HD1      LEU  64  -1.980  -7.005  -7.498
  474   HD21  LEU  64          3HD2      LEU  64   1.186  -4.893  -7.424
  475   HD22  LEU  64          1HD2      LEU  64   0.290  -4.608  -5.932
  476   HD23  LEU  64          2HD2      LEU  64   0.244  -3.414  -7.230
  477    H    LYS  65           H        LYS  65  -2.242  -4.782 -12.233
  478    HA   LYS  65           HA       LYS  65  -1.406  -2.143 -12.762
  479    HB2  LYS  65           2HB      LYS  65  -2.264  -4.443 -14.284
  480    HB3  LYS  65           1HB      LYS  65  -2.984  -2.981 -14.940
  481    HG2  LYS  65           2HG      LYS  65  -0.810  -3.642 -15.967
  482    HG3  LYS  65           1HG      LYS  65  -0.856  -2.000 -15.320
  483    HD2  LYS  65           2HD      LYS  65   0.347  -2.675 -13.364
  484    HD3  LYS  65           1HD      LYS  65   0.254  -4.375 -13.832
  485    HE2  LYS  65           2HE      LYS  65   1.706  -2.209 -15.348
  486    HE3  LYS  65           1HE      LYS  65   2.459  -3.395 -14.279
  487    HZ1  LYS  65           3HZ      LYS  65   2.652  -4.060 -16.576
  488    HZ2  LYS  65           1HZ      LYS  65   0.972  -4.005 -16.774
  489    HZ3  LYS  65           2HZ      LYS  65   1.667  -5.151 -15.733
  490    H    LEU  66           H        LEU  66  -4.639  -3.603 -12.711
  491    HA   LEU  66           HA       LEU  66  -5.791  -0.911 -12.854
  492    HB2  LEU  66           2HB      LEU  66  -6.756  -3.617 -13.591
  493    HB3  LEU  66           1HB      LEU  66  -7.948  -2.437 -13.080
  494    HG   LEU  66           HG       LEU  66  -7.606  -1.078 -14.933
  495   HD11  LEU  66          1HD1      LEU  66  -5.148  -0.892 -14.678
  496   HD12  LEU  66          2HD1      LEU  66  -5.658  -1.086 -16.359
  497   HD13  LEU  66          3HD1      LEU  66  -4.979  -2.455 -15.482
  498   HD21  LEU  66          3HD2      LEU  66  -7.627  -2.535 -16.893
  499   HD22  LEU  66          1HD2      LEU  66  -8.607  -3.205 -15.589
  500   HD23  LEU  66          2HD2      LEU  66  -7.004  -3.867 -15.917
  501    H    PHE  67           H        PHE  67  -4.784  -2.918 -10.564
  502    HA   PHE  67           HA       PHE  67  -6.682  -3.044  -8.559
  503    HB2  PHE  67           2HB      PHE  67  -4.765  -4.020  -7.818
  504    HB3  PHE  67           1HB      PHE  67  -3.753  -2.955  -8.776
  505    HD1  PHE  67           1HD      PHE  67  -5.781  -2.927  -5.646
  506    HD2  PHE  67           2HD      PHE  67  -2.372  -1.478  -7.726
  507    HE1  PHE  67           1HE      PHE  67  -5.021  -1.788  -3.601
  508    HE2  PHE  67           2HE      PHE  67  -1.606  -0.333  -5.689
  509    HZ   PHE  67           HZ       PHE  67  -2.932  -0.488  -3.621
  510    H    LEU  68           H        LEU  68  -4.842  -0.359  -9.794
  511    HA   LEU  68           HA       LEU  68  -5.351   1.496  -7.738
  512    HB2  LEU  68           2HB      LEU  68  -4.808   2.056 -10.654
  513    HB3  LEU  68           1HB      LEU  68  -4.667   3.208  -9.347
  514    HG   LEU  68           HG       LEU  68  -2.468   2.600  -9.875
  515   HD11  LEU  68          1HD1      LEU  68  -3.304   0.924  -7.516
  516   HD12  LEU  68          2HD1      LEU  68  -2.854   2.629  -7.487
  517   HD13  LEU  68          3HD1      LEU  68  -1.651   1.405  -7.896
  518   HD21  LEU  68          3HD2      LEU  68  -1.664   0.399 -10.247
  519   HD22  LEU  68          1HD2      LEU  68  -3.133   0.578 -11.212
  520   HD23  LEU  68          2HD2      LEU  68  -3.172  -0.319  -9.690
  521    H    GLN  69           H        GLN  69  -6.994   0.754 -10.767
  522    HA   GLN  69           HA       GLN  69  -8.992   2.749 -10.516
  523    HB2  GLN  69           2HB      GLN  69  -9.001   0.127 -12.021
  524    HB3  GLN  69           1HB      GLN  69 -10.251   1.354 -12.163
  525    HG2  GLN  69           2HG      GLN  69  -8.565   2.944 -12.986
  526    HG3  GLN  69           1HG      GLN  69  -7.350   1.668 -12.899
  527   HE21  GLN  69          1HE2      GLN  69  -6.963   1.811 -15.116
  528   HE22  GLN  69          2HE2      GLN  69  -8.075   1.173 -16.277
  529    H    ASN  70           H        ASN  70  -8.453  -0.270  -9.009
  530    HA   ASN  70           HA       ASN  70 -11.213  -0.647  -8.187
  531    HB2  ASN  70           2HB      ASN  70  -9.641  -2.571  -8.592
  532    HB3  ASN  70           1HB      ASN  70  -8.735  -2.063  -7.172
  533   HD21  ASN  70          1HD2      ASN  70  -9.115  -3.971  -6.077
  534   HD22  ASN  70          2HD2      ASN  70 -10.671  -4.388  -5.446
  535    H    PHE  71           H        PHE  71  -8.268   0.743  -7.008
  536    HA   PHE  71           HA       PHE  71  -9.203   1.176  -4.323
  537    HB2  PHE  71           2HB      PHE  71  -6.753   1.025  -5.186
  538    HB3  PHE  71           1HB      PHE  71  -6.972   2.707  -5.650
  539    HD1  PHE  71           2HD      PHE  71  -8.078   4.164  -3.630
  540    HD2  PHE  71           1HD      PHE  71  -5.706   0.657  -3.201
  541    HE1  PHE  71           2HE      PHE  71  -7.476   4.854  -1.348
  542    HE2  PHE  71           1HE      PHE  71  -5.099   1.343  -0.918
  543    HZ   PHE  71           HZ       PHE  71  -5.984   3.443   0.011
  544    H    SER  72           H        SER  72  -8.583   3.253  -7.141
  545    HA   SER  72           HA       SER  72 -10.840   4.952  -6.482
  546    HB2  SER  72           2HB      SER  72  -8.031   6.086  -6.651
  547    HB3  SER  72           1HB      SER  72  -9.515   7.013  -6.425
  548    HG   SER  72           HG       SER  72  -9.392   5.092  -4.568
  549    H    ALA  73           H        ALA  73 -11.668   5.938  -8.288
  550    HA   ALA  73           HA       ALA  73 -11.046   4.711 -10.756
  551    HB1  ALA  73           1HB      ALA  73 -13.307   5.426 -10.143
  552    HB2  ALA  73           2HB      ALA  73 -12.800   6.109 -11.687
  553    HB3  ALA  73           3HB      ALA  73 -12.795   7.110 -10.235
  554    H    GLY  74           H        GLY  74 -10.009   7.681  -9.290
  555    HA2  GLY  74           2HA      GLY  74  -8.923   8.656 -11.829
  556    HA3  GLY  74           1HA      GLY  74  -8.991   9.554 -10.323
  557    H    ALA  75           H        ALA  75  -7.868   6.379  -9.915
  558    HA   ALA  75           HA       ALA  75  -5.204   7.369  -9.346
  559    HB1  ALA  75           1HB      ALA  75  -6.393   4.616  -9.019
  560    HB2  ALA  75           2HB      ALA  75  -6.243   5.848  -7.766
  561    HB3  ALA  75           3HB      ALA  75  -4.797   5.112  -8.455
  562    H    ARG  76           H        ARG  76  -3.381   6.915 -10.451
  563    HA   ARG  76           HA       ARG  76  -3.635   6.157 -13.190
  564    HB2  ARG  76           2HB      ARG  76  -1.209   6.803 -11.510
  565    HB3  ARG  76           1HB      ARG  76  -1.178   6.554 -13.250
  566    HG2  ARG  76           2HG      ARG  76  -2.750   8.708 -11.851
  567    HG3  ARG  76           1HG      ARG  76  -1.183   8.932 -12.634
  568    HD2  ARG  76           2HD      ARG  76  -2.141   8.238 -14.767
  569    HD3  ARG  76           1HD      ARG  76  -3.703   7.985 -13.991
  570    HE   ARG  76           HE       ARG  76  -3.150  10.573 -13.435
  571   HH11  ARG  76          1HH1      ARG  76  -3.179   8.710 -16.390
  572   HH12  ARG  76          2HH1      ARG  76  -3.659  10.048 -17.380
  573   HH21  ARG  76          1HH2      ARG  76  -3.779  12.336 -14.732
  574   HH22  ARG  76          2HH2      ARG  76  -4.001  12.114 -16.438
  575    H    ALA  77           H        ALA  77  -3.031   4.287 -14.186
  576    HA   ALA  77           HA       ALA  77  -2.726   1.940 -12.621
  577    HB1  ALA  77           1HB      ALA  77  -2.233   2.345 -15.570
  578    HB2  ALA  77           2HB      ALA  77  -3.759   1.861 -14.827
  579    HB3  ALA  77           3HB      ALA  77  -2.359   0.786 -14.752
  580    H    LEU  78           H        LEU  78  -0.975   1.324 -11.597
  581    HA   LEU  78           HA       LEU  78   1.565   2.523 -11.978
  582    HB2  LEU  78           2HB      LEU  78   0.847  -0.007 -10.496
  583    HB3  LEU  78           1HB      LEU  78   2.342   0.890 -10.333
  584    HG   LEU  78           HG       LEU  78  -0.404   1.817  -9.509
  585   HD11  LEU  78          1HD1      LEU  78   0.552   1.762  -7.259
  586   HD12  LEU  78          2HD1      LEU  78   2.057   1.119  -7.919
  587   HD13  LEU  78          3HD1      LEU  78   0.572   0.172  -8.024
  588   HD21  LEU  78          3HD2      LEU  78   0.838   3.715 -10.355
  589   HD22  LEU  78          1HD2      LEU  78   2.240   3.265  -9.381
  590   HD23  LEU  78          2HD2      LEU  78   0.753   3.792  -8.595
  591    H    SER  79           H        SER  79   2.943   2.094 -13.579
  592    HA   SER  79           HA       SER  79   2.777  -0.559 -14.840
  593    HB2  SER  79           2HB      SER  79   3.153   2.059 -16.305
  594    HB3  SER  79           1HB      SER  79   2.936   0.464 -17.023
  595    HG   SER  79           HG       SER  79   1.012   1.757 -15.373
  596    H    ASP  80           H        ASP  80   4.649  -1.074 -16.210
  597    HA   ASP  80           HA       ASP  80   6.844  -1.326 -16.653
  598    HB2  ASP  80           2HB      ASP  80   6.977   1.548 -15.734
  599    HB3  ASP  80           1HB      ASP  80   8.324   0.683 -16.462
  600    H    ALA  81           H        ALA  81   8.636   0.545 -14.749
  601    HA   ALA  81           HA       ALA  81   9.540  -1.734 -13.331
  602    HB1  ALA  81           1HB      ALA  81  10.355   1.153 -13.033
  603    HB2  ALA  81           2HB      ALA  81  11.086  -0.026 -14.124
  604    HB3  ALA  81           3HB      ALA  81  11.221  -0.236 -12.379
  605    H    GLU  82           H        GLU  82   7.400   0.890 -12.576
  606    HA   GLU  82           HA       GLU  82   7.458   0.834  -9.781
  607    HB2  GLU  82           2HB      GLU  82   6.268   2.596 -10.781
  608    HB3  GLU  82           1HB      GLU  82   5.354   1.515 -11.821
  609    HG2  GLU  82           2HG      GLU  82   3.924   2.432 -10.130
  610    HG3  GLU  82           1HG      GLU  82   4.130   0.702  -9.883
  611    H    THR  83           H        THR  83   5.391  -1.054 -12.036
  612    HA   THR  83           HA       THR  83   4.327  -2.586  -9.892
  613    HB   THR  83           HB       THR  83   4.282  -4.061 -12.359
  614    HG1  THR  83           1HG      THR  83   2.883  -1.658 -12.673
  615   HG21  THR  83          3HG2      THR  83   1.861  -3.882 -12.020
  616   HG22  THR  83          1HG2      THR  83   2.128  -2.671 -10.764
  617   HG23  THR  83          2HG2      THR  83   2.690  -4.329 -10.526
  618    H    LYS  84           H        LYS  84   6.885  -3.304 -12.324
  619    HA   LYS  84           HA       LYS  84   7.338  -5.910 -11.546
  620    HB2  LYS  84           2HB      LYS  84   9.384  -3.875 -12.451
  621    HB3  LYS  84           1HB      LYS  84   9.646  -5.607 -12.389
  622    HG2  LYS  84           2HG      LYS  84   7.664  -4.165 -14.122
  623    HG3  LYS  84           1HG      LYS  84   9.169  -4.923 -14.644
  624    HD2  LYS  84           2HD      LYS  84   8.293  -7.107 -13.876
  625    HD3  LYS  84           1HD      LYS  84   6.771  -6.323 -13.456
  626    HE2  LYS  84           2HE      LYS  84   6.539  -7.393 -15.595
  627    HE3  LYS  84           1HE      LYS  84   6.514  -5.646 -15.819
  628    HZ1  LYS  84           3HZ      LYS  84   8.813  -5.730 -16.521
  629    HZ2  LYS  84           1HZ      LYS  84   7.882  -6.762 -17.479
  630    HZ3  LYS  84           2HZ      LYS  84   8.872  -7.398 -16.267
  631    H    VAL  85           H        VAL  85   8.956  -3.007 -10.247
  632    HA   VAL  85           HA       VAL  85  10.463  -4.578  -8.376
  633    HB   VAL  85           HB       VAL  85  10.071  -1.591  -8.373
  634   HG11  VAL  85          1HG1      VAL  85  11.033  -2.499  -6.328
  635   HG12  VAL  85          2HG1      VAL  85  12.226  -1.564  -7.227
  636   HG13  VAL  85          3HG1      VAL  85  12.273  -3.327  -7.267
  637   HG21  VAL  85          3HG2      VAL  85  12.082  -1.454  -9.730
  638   HG22  VAL  85          1HG2      VAL  85  10.821  -2.361 -10.568
  639   HG23  VAL  85          2HG2      VAL  85  12.167  -3.214  -9.807
  640    H    PHE  86           H        PHE  86   7.704  -2.352  -8.125
  641    HA   PHE  86           HA       PHE  86   7.749  -2.597  -5.252
  642    HB2  PHE  86           2HB      PHE  86   6.422  -0.835  -7.238
  643    HB3  PHE  86           1HB      PHE  86   5.776  -0.922  -5.615
  644    HD1  PHE  86           2HD      PHE  86   7.763  -0.879  -3.757
  645    HD2  PHE  86           1HD      PHE  86   7.863   0.905  -7.617
  646    HE1  PHE  86           2HE      PHE  86   9.486   0.690  -2.978
  647    HE2  PHE  86           1HE      PHE  86   9.597   2.477  -6.841
  648    HZ   PHE  86           HZ       PHE  86  10.404   2.370  -4.522
  649    H    LEU  87           H        LEU  87   5.929  -3.930  -7.864
  650    HA   LEU  87           HA       LEU  87   3.863  -4.983  -6.135
  651    HB2  LEU  87           2HB      LEU  87   2.972  -4.787  -8.213
  652    HB3  LEU  87           1HB      LEU  87   4.507  -4.943  -9.009
  653    HG   LEU  87           HG       LEU  87   2.893  -6.608  -9.736
  654   HD11  LEU  87          1HD1      LEU  87   5.218  -7.192  -9.907
  655   HD12  LEU  87          2HD1      LEU  87   4.260  -8.617  -9.502
  656   HD13  LEU  87          3HD1      LEU  87   5.213  -7.812  -8.255
  657   HD21  LEU  87          3HD2      LEU  87   2.994  -7.675  -6.946
  658   HD22  LEU  87          1HD2      LEU  87   2.131  -8.375  -8.312
  659   HD23  LEU  87          2HD2      LEU  87   1.635  -6.808  -7.666
  660    H    LYS  88           H        LYS  88   7.012  -5.939  -7.377
  661    HA   LYS  88           HA       LYS  88   6.917  -8.525  -6.135
  662    HB2  LYS  88           2HB      LYS  88   9.111  -6.882  -7.347
  663    HB3  LYS  88           1HB      LYS  88   9.480  -8.344  -6.443
  664    HG2  LYS  88           2HG      LYS  88   7.628  -8.241  -8.809
  665    HG3  LYS  88           1HG      LYS  88   9.333  -8.690  -8.885
  666    HD2  LYS  88           2HD      LYS  88   8.879 -10.498  -7.261
  667    HD3  LYS  88           1HD      LYS  88   7.165 -10.091  -7.332
  668    HE2  LYS  88           2HE      LYS  88   7.734 -11.993  -8.787
  669    HE3  LYS  88           1HE      LYS  88   7.090 -10.620  -9.687
  670    HZ1  LYS  88           3HZ      LYS  88   9.322 -10.011 -10.321
  671    HZ2  LYS  88           1HZ      LYS  88   9.016 -11.610 -10.773
  672    HZ3  LYS  88           2HZ      LYS  88   9.971 -11.286  -9.418
  673    H    ALA  89           H        ALA  89   7.419  -5.348  -4.979
  674    HA   ALA  89           HA       ALA  89   9.109  -5.684  -2.806
  675    HB1  ALA  89           1HB      ALA  89   7.975  -3.815  -1.756
  676    HB2  ALA  89           2HB      ALA  89   6.590  -4.014  -2.830
  677    HB3  ALA  89           3HB      ALA  89   8.152  -3.507  -3.484
  678    H    GLY  90           H        GLY  90   5.725  -6.518  -3.164
  679    HA2  GLY  90           2HA      GLY  90   5.569  -7.523  -0.443
  680    HA3  GLY  90           1HA      GLY  90   4.279  -7.538  -1.640
  681    H    ASP  91           H        ASP  91   5.339  -8.818  -3.733
  682    HA   ASP  91           HA       ASP  91   5.085 -11.523  -3.040
  683    HB2  ASP  91           2HB      ASP  91   4.671 -10.489  -5.304
  684    HB3  ASP  91           1HB      ASP  91   6.417 -10.465  -5.530
  685    H    SER  92           H        SER  92   6.491 -12.400  -1.660
  686    HA   SER  92           HA       SER  92   9.305 -11.631  -1.769
  687    HB2  SER  92           2HB      SER  92   7.861 -13.317   0.288
  688    HB3  SER  92           1HB      SER  92   9.447 -12.565   0.456
  689    HG   SER  92           HG       SER  92   7.245 -10.929  -0.142
  690    H    ASP  93           H        ASP  93   7.164 -14.283  -2.366
  691    HA   ASP  93           HA       ASP  93   9.343 -16.198  -2.537
  692    HB2  ASP  93           2HB      ASP  93   7.667 -17.870  -2.969
  693    HB3  ASP  93           1HB      ASP  93   7.119 -16.868  -1.634
  694    H    GLY  94           H        GLY  94   7.987 -13.895  -4.497
  695    HA2  GLY  94           2HA      GLY  94   8.512 -13.254  -6.629
  696    HA3  GLY  94           1HA      GLY  94   9.767 -14.482  -6.603
  697    H    ASP  95           H        ASP  95   6.233 -14.766  -6.405
  698    HA   ASP  95           HA       ASP  95   6.422 -16.832  -8.465
  699    HB2  ASP  95           2HB      ASP  95   4.349 -17.687  -7.680
  700    HB3  ASP  95           1HB      ASP  95   5.302 -17.307  -6.251
  701    H    GLY  96           H        GLY  96   5.381 -13.589  -8.046
  702    HA2  GLY  96           2HA      GLY  96   4.957 -12.275 -10.018
  703    HA3  GLY  96           1HA      GLY  96   4.265 -13.699 -10.777
  704    H    LYS  97           H        LYS  97   3.490 -12.713  -7.517
  705    HA   LYS  97           HA       LYS  97   0.903 -11.604  -8.348
  706    HB2  LYS  97           2HB      LYS  97  -0.399 -13.169  -7.229
  707    HB3  LYS  97           1HB      LYS  97   0.881 -14.207  -7.841
  708    HG2  LYS  97           2HG      LYS  97   2.038 -13.959  -5.628
  709    HG3  LYS  97           1HG      LYS  97   0.608 -13.095  -5.058
  710    HD2  LYS  97           2HD      LYS  97   0.448 -15.863  -6.214
  711    HD3  LYS  97           1HD      LYS  97   0.739 -15.569  -4.502
  712    HE2  LYS  97           2HE      LYS  97  -1.355 -14.293  -4.388
  713    HE3  LYS  97           1HE      LYS  97  -1.651 -14.645  -6.089
  714    HZ1  LYS  97           3HZ      LYS  97  -1.817 -16.958  -5.607
  715    HZ2  LYS  97           1HZ      LYS  97  -2.830 -16.141  -4.526
  716    HZ3  LYS  97           2HZ      LYS  97  -1.335 -16.731  -4.003
  717    H    ILE  98           H        ILE  98  -0.244 -10.716  -6.392
  718    HA   ILE  98           HA       ILE  98   1.672 -10.072  -4.274
  719    HB   ILE  98           HB       ILE  98  -0.694  -8.591  -5.299
  720   HG12  ILE  98          2HG1      ILE  98   1.566  -7.854  -5.813
  721   HG13  ILE  98          1HG1      ILE  98   0.754  -6.660  -4.808
  722   HG21  ILE  98          1HG2      ILE  98  -1.442  -8.979  -3.047
  723   HG22  ILE  98          2HG2      ILE  98  -0.874  -7.314  -3.171
  724   HG23  ILE  98          3HG2      ILE  98   0.139  -8.538  -2.405
  725   HD11  ILE  98          3HD1      ILE  98   2.988  -6.885  -4.034
  726   HD12  ILE  98          1HD1      ILE  98   2.851  -8.641  -3.958
  727   HD13  ILE  98          2HD1      ILE  98   1.930  -7.637  -2.841
  728    H    GLY  99           H        GLY  99   1.624 -11.788  -2.968
  729    HA2  GLY  99           2HA      GLY  99  -0.739 -13.030  -2.051
  730    HA3  GLY  99           1HA      GLY  99   0.798 -12.983  -1.186
  731    H    VAL 100           H        VAL 100  -2.145 -12.431  -0.484
  732    HA   VAL 100           HA       VAL 100  -2.486  -9.746   0.132
  733    HB   VAL 100           HB       VAL 100  -3.562 -12.296   1.209
  734   HG11  VAL 100          1HG1      VAL 100  -3.473 -11.018   3.215
  735   HG12  VAL 100          2HG1      VAL 100  -5.140 -10.990   2.637
  736   HG13  VAL 100          3HG1      VAL 100  -4.095  -9.589   2.394
  737   HG21  VAL 100          3HG2      VAL 100  -5.666 -11.376   0.322
  738   HG22  VAL 100          1HG2      VAL 100  -4.400 -11.461  -0.904
  739   HG23  VAL 100          2HG2      VAL 100  -4.801  -9.915  -0.157
  740    H    ASP 101           H        ASP 101  -1.020 -12.340   2.028
  741    HA   ASP 101           HA       ASP 101  -0.287 -10.716   4.237
  742    HB2  ASP 101           2HB      ASP 101  -0.454 -13.164   4.362
  743    HB3  ASP 101           1HB      ASP 101   0.904 -13.315   3.251
  744    H    GLU 102           H        GLU 102   1.263 -11.616   1.221
  745    HA   GLU 102           HA       GLU 102   3.832 -10.609   1.755
  746    HB2  GLU 102           2HB      GLU 102   2.432 -10.818  -0.928
  747    HB3  GLU 102           1HB      GLU 102   4.164 -10.649  -0.679
  748    HG2  GLU 102           2HG      GLU 102   3.942 -12.845   0.673
  749    HG3  GLU 102           1HG      GLU 102   2.411 -13.016  -0.174
  750    H    PHE 103           H        PHE 103   0.903  -9.089   0.521
  751    HA   PHE 103           HA       PHE 103   2.064  -6.627  -0.251
  752    HB2  PHE 103           2HB      PHE 103  -0.233  -7.481  -0.898
  753    HB3  PHE 103           1HB      PHE 103  -0.774  -7.023   0.711
  754    HD1  PHE 103           1HD      PHE 103   0.720  -5.684  -2.399
  755    HD2  PHE 103           2HD      PHE 103  -1.431  -4.820   1.168
  756    HE1  PHE 103           1HE      PHE 103   0.309  -3.399  -3.209
  757    HE2  PHE 103           2HE      PHE 103  -1.851  -2.532   0.361
  758    HZ   PHE 103           HZ       PHE 103  -0.980  -1.820  -1.828
  759    H    GLY 104           H        GLY 104   0.441  -7.653   2.741
  760    HA2  GLY 104           2HA      GLY 104   0.536  -5.248   4.136
  761    HA3  GLY 104           1HA      GLY 104   0.589  -6.836   4.885
  762    H    ALA 105           H        ALA 105   3.011  -7.707   3.740
  763    HA   ALA 105           HA       ALA 105   4.878  -6.662   5.560
  764    HB1  ALA 105           1HB      ALA 105   5.412  -8.234   3.038
  765    HB2  ALA 105           2HB      ALA 105   5.014  -8.923   4.611
  766    HB3  ALA 105           3HB      ALA 105   6.517  -8.028   4.396
  767    H    MET 106           H        MET 106   4.264  -5.896   2.143
  768    HA   MET 106           HA       MET 106   6.638  -4.323   1.871
  769    HB2  MET 106           2HB      MET 106   6.055  -4.006  -0.317
  770    HB3  MET 106           1HB      MET 106   5.030  -5.392   0.018
  771    HG2  MET 106           2HG      MET 106   3.107  -4.100   0.137
  772    HG3  MET 106           1HG      MET 106   4.008  -2.615   0.406
  773    HE1  MET 106           3HE      MET 106   2.623  -5.162  -2.149
  774    HE2  MET 106           1HE      MET 106   4.349  -5.470  -2.338
  775    HE3  MET 106           2HE      MET 106   3.439  -4.718  -3.648
  776    H    ILE 107           H        ILE 107   3.439  -3.710   3.061
  777    HA   ILE 107           HA       ILE 107   3.516  -0.853   2.754
  778    HB   ILE 107           HB       ILE 107   1.814  -2.459   4.686
  779   HG12  ILE 107          2HG1      ILE 107   1.109  -1.555   1.887
  780   HG13  ILE 107          1HG1      ILE 107   1.534  -3.207   2.327
  781   HG21  ILE 107          1HG2      ILE 107   0.310  -0.528   4.584
  782   HG22  ILE 107          2HG2      ILE 107   1.456   0.304   3.532
  783   HG23  ILE 107          3HG2      ILE 107   1.905  -0.084   5.192
  784   HD11  ILE 107          3HD1      ILE 107  -0.403  -3.295   3.820
  785   HD12  ILE 107          1HD1      ILE 107  -0.866  -2.947   2.156
  786   HD13  ILE 107          2HD1      ILE 107  -0.831  -1.652   3.349
  787    H    LYS 108           H        LYS 108   4.402  -3.202   5.121
  788    HA   LYS 108           HA       LYS 108   4.906  -1.186   7.160
  789    HB2  LYS 108           2HB      LYS 108   3.626  -3.135   7.777
  790    HB3  LYS 108           1HB      LYS 108   4.891  -4.208   7.196
  791    HG2  LYS 108           2HG      LYS 108   5.643  -2.291   9.323
  792    HG3  LYS 108           1HG      LYS 108   4.539  -3.589   9.774
  793    HD2  LYS 108           2HD      LYS 108   7.182  -4.006   8.384
  794    HD3  LYS 108           1HD      LYS 108   6.947  -4.133  10.129
  795    HE2  LYS 108           2HE      LYS 108   5.285  -5.918   9.738
  796    HE3  LYS 108           1HE      LYS 108   5.608  -5.814   8.010
  797    HZ1  LYS 108           3HZ      LYS 108   7.556  -6.577  10.112
  798    HZ2  LYS 108           1HZ      LYS 108   7.918  -6.415   8.468
  799    HZ3  LYS 108           2HZ      LYS 108   6.844  -7.615   8.984
  800    H    ALA 109           H        ALA 109   6.598  -2.677   4.692
  801    HA   ALA 109           HA       ALA 109   9.128  -2.981   6.036
  802    HB1  ALA 109           1HB      ALA 109   8.534  -2.993   3.078
  803    HB2  ALA 109           2HB      ALA 109   8.503  -4.409   4.129
  804    HB3  ALA 109           3HB      ALA 109  10.017  -3.548   3.856
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1 -18.832  10.132   2.113
    2    H2   MET   1           2HT      MET   1 -18.420  11.557   1.301
    3    H3   MET   1           3HT      MET   1 -18.559  11.555   2.987
    4    HA   MET   1           HA       MET   1 -16.250  11.561   2.308
    5    HB2  MET   1           2HB      MET   1 -17.037   8.873   3.453
    6    HB3  MET   1           1HB      MET   1 -15.480   9.663   3.618
    7    HG2  MET   1           2HG      MET   1 -16.532   9.977   5.668
    8    HG3  MET   1           1HG      MET   1 -16.720  11.515   4.830
    9    HE1  MET   1           2HE      MET   1 -18.547  12.077   6.720
   10    HE2  MET   1           3HE      MET   1 -18.430  10.462   7.419
   11    HE3  MET   1           1HE      MET   1 -20.005  11.122   6.983
   12    H    ALA   2           H        ALA   2 -14.695  10.875   0.906
   13    HA   ALA   2           HA       ALA   2 -15.483   9.324  -1.351
   14    HB1  ALA   2           1HB      ALA   2 -12.729  10.233  -0.515
   15    HB2  ALA   2           2HB      ALA   2 -13.843  11.124  -1.550
   16    HB3  ALA   2           3HB      ALA   2 -13.168   9.590  -2.096
   17    H    PHE   3           H        PHE   3 -15.622   7.208  -1.436
   18    HA   PHE   3           HA       PHE   3 -15.358   4.999  -1.028
   19    HB2  PHE   3           2HB      PHE   3 -12.498   5.847  -0.526
   20    HB3  PHE   3           1HB      PHE   3 -13.032   4.185  -0.764
   21    HD1  PHE   3           1HD      PHE   3 -14.296   3.699  -2.972
   22    HD2  PHE   3           2HD      PHE   3 -11.821   7.100  -2.346
   23    HE1  PHE   3           1HE      PHE   3 -14.050   3.959  -5.404
   24    HE2  PHE   3           2HE      PHE   3 -11.571   7.369  -4.779
   25    HZ   PHE   3           HZ       PHE   3 -12.688   5.798  -6.311
   26    H    ALA   4           H        ALA   4 -16.569   6.141   0.988
   27    HA   ALA   4           HA       ALA   4 -17.267   5.754   3.104
   28    HB1  ALA   4           1HB      ALA   4 -15.188   3.574   3.141
   29    HB2  ALA   4           2HB      ALA   4 -16.855   3.403   2.594
   30    HB3  ALA   4           3HB      ALA   4 -16.515   3.768   4.286
   31    H    GLY   5           H        GLY   5 -14.384   7.064   2.391
   32    HA2  GLY   5           2HA      GLY   5 -13.113   8.576   3.596
   33    HA3  GLY   5           1HA      GLY   5 -14.104   8.223   5.009
   34    H    ILE   6           H        ILE   6 -12.986   5.380   3.654
   35    HA   ILE   6           HA       ILE   6 -11.168   4.791   5.742
   36    HB   ILE   6           HB       ILE   6 -11.523   3.492   3.031
   37   HG12  ILE   6          2HG1      ILE   6 -13.483   3.350   4.514
   38   HG13  ILE   6          1HG1      ILE   6 -12.748   1.770   4.264
   39   HG21  ILE   6          1HG2      ILE   6  -9.284   3.038   3.878
   40   HG22  ILE   6          2HG2      ILE   6 -10.281   1.584   3.926
   41   HG23  ILE   6          3HG2      ILE   6  -9.963   2.485   5.409
   42   HD11  ILE   6          3HD1      ILE   6 -12.469   3.516   6.699
   43   HD12  ILE   6          1HD1      ILE   6 -11.627   1.985   6.450
   44   HD13  ILE   6          2HD1      ILE   6 -13.388   2.017   6.565
   45    H    LEU   7           H        LEU   7 -10.821   5.949   2.455
   46    HA   LEU   7           HA       LEU   7  -8.157   6.891   3.116
   47    HB2  LEU   7           2HB      LEU   7  -7.215   6.170   0.984
   48    HB3  LEU   7           1HB      LEU   7  -7.710   4.817   1.962
   49    HG   LEU   7           HG       LEU   7  -8.170   4.291  -0.305
   50   HD11  LEU   7          1HD1      LEU   7  -9.879   3.561   1.264
   51   HD12  LEU   7          2HD1      LEU   7 -10.529   3.852  -0.349
   52   HD13  LEU   7          3HD1      LEU   7 -10.801   5.028   0.933
   53   HD21  LEU   7          3HD2      LEU   7  -9.683   6.880  -0.518
   54   HD22  LEU   7          1HD2      LEU   7  -9.622   5.626  -1.756
   55   HD23  LEU   7          2HD2      LEU   7  -8.151   6.481  -1.294
   56    H    ASN   8           H        ASN   8  -7.556   8.779   2.107
   57    HA   ASN   8           HA       ASN   8  -9.781  10.322   1.050
   58    HB2  ASN   8           2HB      ASN   8  -6.922  11.140   1.649
   59    HB3  ASN   8           1HB      ASN   8  -8.216  12.235   1.180
   60   HD21  ASN   8          1HD2      ASN   8 -10.190  10.749   2.812
   61   HD22  ASN   8          2HD2      ASN   8  -9.867  11.216   4.443
   62    H    ASP   9           H        ASP   9 -10.209  10.030  -1.004
   63    HA   ASP   9           HA       ASP   9  -8.691   8.845  -2.955
   64    HB2  ASP   9           2HB      ASP   9 -11.040   9.132  -3.272
   65    HB3  ASP   9           1HB      ASP   9 -10.906  10.884  -3.173
   66    H    ALA  10           H        ALA  10  -8.844  12.257  -2.135
   67    HA   ALA  10           HA       ALA  10  -7.352  13.291  -4.266
   68    HB1  ALA  10           1HB      ALA  10  -8.654  14.690  -2.772
   69    HB2  ALA  10           2HB      ALA  10  -6.970  15.217  -2.778
   70    HB3  ALA  10           3HB      ALA  10  -7.596  14.273  -1.424
   71    H    ASP  11           H        ASP  11  -6.275  12.138  -1.063
   72    HA   ASP  11           HA       ASP  11  -3.562  12.851  -1.498
   73    HB2  ASP  11           2HB      ASP  11  -4.975  11.223   0.570
   74    HB3  ASP  11           1HB      ASP  11  -3.218  11.150   0.467
   75    H    ILE  12           H        ILE  12  -5.363   9.862  -1.850
   76    HA   ILE  12           HA       ILE  12  -3.232   8.209  -2.600
   77    HB   ILE  12           HB       ILE  12  -6.163   8.207  -3.184
   78   HG12  ILE  12          2HG1      ILE  12  -6.016   5.994  -2.028
   79   HG13  ILE  12          1HG1      ILE  12  -4.297   6.274  -1.794
   80   HG21  ILE  12          1HG2      ILE  12  -5.938   6.082  -4.414
   81   HG22  ILE  12          2HG2      ILE  12  -4.185   6.276  -4.395
   82   HG23  ILE  12          3HG2      ILE  12  -5.191   7.432  -5.266
   83   HD11  ILE  12          3HD1      ILE  12  -5.484   6.776   0.223
   84   HD12  ILE  12          1HD1      ILE  12  -6.557   7.881  -0.637
   85   HD13  ILE  12          2HD1      ILE  12  -4.847   8.272  -0.460
   86    H    THR  13           H        THR  13  -5.442  10.121  -4.610
   87    HA   THR  13           HA       THR  13  -4.278   9.745  -7.085
   88    HB   THR  13           HB       THR  13  -5.554  12.275  -6.038
   89    HG1  THR  13           1HG      THR  13  -7.019  10.628  -5.791
   90   HG21  THR  13          3HG2      THR  13  -4.375  12.599  -8.166
   91   HG22  THR  13          1HG2      THR  13  -6.125  12.712  -8.368
   92   HG23  THR  13          2HG2      THR  13  -5.272  11.249  -8.862
   93    H    ALA  14           H        ALA  14  -3.359  11.976  -4.502
   94    HA   ALA  14           HA       ALA  14  -1.425  13.424  -5.988
   95    HB1  ALA  14           1HB      ALA  14  -2.425  14.278  -3.921
   96    HB2  ALA  14           2HB      ALA  14  -0.664  14.262  -3.838
   97    HB3  ALA  14           3HB      ALA  14  -1.597  13.019  -3.006
   98    H    ALA  15           H        ALA  15  -1.280  10.461  -4.081
   99    HA   ALA  15           HA       ALA  15   1.553  10.169  -4.254
  100    HB1  ALA  15           1HB      ALA  15   1.184   7.867  -3.569
  101    HB2  ALA  15           2HB      ALA  15  -0.547   8.036  -3.877
  102    HB3  ALA  15           3HB      ALA  15   0.214   8.964  -2.584
  103    H    LEU  16           H        LEU  16  -1.184   8.958  -6.139
  104    HA   LEU  16           HA       LEU  16   0.223   7.530  -8.089
  105    HB2  LEU  16           2HB      LEU  16  -2.410   8.934  -8.028
  106    HB3  LEU  16           1HB      LEU  16  -1.792   8.386  -9.571
  107    HG   LEU  16           HG       LEU  16  -3.357   6.785  -8.641
  108   HD11  LEU  16          1HD1      LEU  16  -1.493   5.956 -10.002
  109   HD12  LEU  16          2HD1      LEU  16  -1.998   4.780  -8.790
  110   HD13  LEU  16          3HD1      LEU  16  -0.533   5.729  -8.540
  111   HD21  LEU  16          3HD2      LEU  16  -1.451   6.580  -6.325
  112   HD22  LEU  16          1HD2      LEU  16  -2.856   5.549  -6.602
  113   HD23  LEU  16          2HD2      LEU  16  -3.074   7.273  -6.290
  114    H    ALA  17           H        ALA  17  -0.449  10.949  -7.759
  115    HA   ALA  17           HA       ALA  17   0.516  11.759 -10.291
  116    HB1  ALA  17           1HB      ALA  17   0.404  13.340  -7.725
  117    HB2  ALA  17           2HB      ALA  17  -0.929  13.154  -8.864
  118    HB3  ALA  17           3HB      ALA  17   0.542  13.996  -9.355
  119    H    ALA  18           H        ALA  18   2.016  11.123  -7.208
  120    HA   ALA  18           HA       ALA  18   4.555  12.282  -7.835
  121    HB1  ALA  18           1HB      ALA  18   3.822  10.289  -5.693
  122    HB2  ALA  18           2HB      ALA  18   3.767  12.044  -5.527
  123    HB3  ALA  18           3HB      ALA  18   5.311  11.229  -5.775
  124    H    CYS  19           H        CYS  19   3.009   9.310  -8.538
  125    HA   CYS  19           HA       CYS  19   5.560   8.261  -9.575
  126    HB2  CYS  19           2HB      CYS  19   4.626   5.986  -9.278
  127    HB3  CYS  19           1HB      CYS  19   4.779   6.851  -7.755
  128    HG   CYS  19           HG       CYS  19   1.900   6.218  -9.481
  129    H    LYS  20           H        LYS  20   3.658  10.045 -10.863
  130    HA   LYS  20           HA       LYS  20   2.163   8.514 -12.770
  131    HB2  LYS  20           2HB      LYS  20   1.640  10.880 -11.929
  132    HB3  LYS  20           1HB      LYS  20   2.911  11.424 -13.014
  133    HG2  LYS  20           2HG      LYS  20   1.664  10.283 -14.871
  134    HG3  LYS  20           1HG      LYS  20   0.339  10.060 -13.733
  135    HD2  LYS  20           2HD      LYS  20   1.502  12.675 -14.685
  136    HD3  LYS  20           1HD      LYS  20  -0.090  12.022 -15.062
  137    HE2  LYS  20           2HE      LYS  20  -0.737  13.393 -13.390
  138    HE3  LYS  20           1HE      LYS  20  -0.225  12.045 -12.376
  139    HZ1  LYS  20           3HZ      LYS  20   1.941  13.121 -12.129
  140    HZ2  LYS  20           1HZ      LYS  20   0.697  14.130 -11.586
  141    HZ3  LYS  20           2HZ      LYS  20   1.424  14.413 -13.084
  142    H    ALA  21           H        ALA  21   5.299  10.008 -12.590
  143    HA   ALA  21           HA       ALA  21   5.858   9.637 -15.404
  144    HB1  ALA  21           1HB      ALA  21   6.743  11.592 -14.219
  145    HB2  ALA  21           2HB      ALA  21   8.034  10.597 -14.891
  146    HB3  ALA  21           3HB      ALA  21   7.675  10.527 -13.167
  147    H    GLU  22           H        GLU  22   6.694   7.878 -16.258
  148    HA   GLU  22           HA       GLU  22   7.081   5.491 -14.887
  149    HB2  GLU  22           2HB      GLU  22   8.209   4.728 -16.990
  150    HB3  GLU  22           1HB      GLU  22   6.635   5.472 -17.242
  151    HG2  GLU  22           2HG      GLU  22   7.740   7.568 -17.873
  152    HG3  GLU  22           1HG      GLU  22   9.309   6.794 -17.655
  153    H    GLY  23           H        GLY  23   8.722   4.612 -13.797
  154    HA2  GLY  23           2HA      GLY  23  10.931   4.234 -13.140
  155    HA3  GLY  23           1HA      GLY  23  11.455   5.527 -14.208
  156    H    SER  24           H        SER  24   8.923   6.661 -12.419
  157    HA   SER  24           HA       SER  24  10.687   7.667 -10.287
  158    HB2  SER  24           2HB      SER  24  10.282   9.427 -11.964
  159    HB3  SER  24           1HB      SER  24   8.543   9.210 -11.778
  160    HG   SER  24           HG       SER  24   9.306   9.618  -9.374
  161    H    PHE  25           H        PHE  25   9.683   5.677  -9.302
  162    HA   PHE  25           HA       PHE  25   7.083   6.360  -8.109
  163    HB2  PHE  25           2HB      PHE  25   6.680   3.862  -7.982
  164    HB3  PHE  25           1HB      PHE  25   6.613   4.562  -9.599
  165    HD1  PHE  25           1HD      PHE  25   8.459   4.165 -11.191
  166    HD2  PHE  25           2HD      PHE  25   8.330   2.259  -7.388
  167    HE1  PHE  25           1HE      PHE  25  10.120   2.525 -11.962
  168    HE2  PHE  25           2HE      PHE  25   9.994   0.617  -8.154
  169    HZ   PHE  25           HZ       PHE  25  10.891   0.748 -10.441
  170    H    ASP  26           H        ASP  26   6.837   6.005  -5.945
  171    HA   ASP  26           HA       ASP  26   8.959   4.545  -4.549
  172    HB2  ASP  26           2HB      ASP  26   9.299   7.062  -4.361
  173    HB3  ASP  26           1HB      ASP  26   7.797   7.103  -3.444
  174    H    HIS  27           H        HIS  27   7.770   2.812  -4.093
  175    HA   HIS  27           HA       HIS  27   5.040   2.727  -3.611
  176    HB2  HIS  27           2HB      HIS  27   5.311   0.455  -3.222
  177    HB3  HIS  27           1HB      HIS  27   6.772   0.840  -4.109
  178    HD1  HIS  27           1HD      HIS  27   5.653  -0.786  -1.105
  179    HD2  HIS  27           2HD      HIS  27   9.094   1.200  -2.314
  180    HE1  HIS  27           1HE      HIS  27   7.437  -1.479   0.522
  181    HE2  HIS  27           2HE      HIS  27   9.544  -0.384  -0.318
  182    H    LYS  28           H        LYS  28   7.628   3.403  -1.443
  183    HA   LYS  28           HA       LYS  28   6.116   2.831   0.932
  184    HB2  LYS  28           2HB      LYS  28   8.553   2.500   0.742
  185    HB3  LYS  28           1HB      LYS  28   8.736   4.241   0.554
  186    HG2  LYS  28           2HG      LYS  28   8.240   4.684   2.760
  187    HG3  LYS  28           1HG      LYS  28   7.344   3.181   2.967
  188    HD2  LYS  28           2HD      LYS  28   9.448   1.924   2.860
  189    HD3  LYS  28           1HD      LYS  28  10.334   3.438   2.670
  190    HE2  LYS  28           2HE      LYS  28   9.764   4.157   4.847
  191    HE3  LYS  28           1HE      LYS  28   8.540   2.900   5.019
  192    HZ1  LYS  28           3HZ      LYS  28  10.176   1.251   5.229
  193    HZ2  LYS  28           1HZ      LYS  28  10.698   2.523   6.216
  194    HZ3  LYS  28           2HZ      LYS  28  11.416   2.278   4.704
  195    H    ALA  29           H        ALA  29   7.320   5.703  -0.758
  196    HA   ALA  29           HA       ALA  29   6.218   7.671   0.874
  197    HB1  ALA  29           1HB      ALA  29   7.754   8.130  -1.000
  198    HB2  ALA  29           2HB      ALA  29   6.307   9.138  -1.053
  199    HB3  ALA  29           3HB      ALA  29   6.455   7.752  -2.131
  200    H    PHE  30           H        PHE  30   4.783   5.718  -1.673
  201    HA   PHE  30           HA       PHE  30   2.288   6.910  -1.876
  202    HB2  PHE  30           2HB      PHE  30   2.986   5.113  -3.365
  203    HB3  PHE  30           1HB      PHE  30   3.015   3.974  -2.026
  204    HD1  PHE  30           1HD      PHE  30   0.867   5.888  -4.301
  205    HD2  PHE  30           2HD      PHE  30   0.989   2.999  -1.182
  206    HE1  PHE  30           1HE      PHE  30  -1.474   5.289  -4.765
  207    HE2  PHE  30           2HE      PHE  30  -1.351   2.397  -1.640
  208    HZ   PHE  30           HZ       PHE  30  -2.587   3.545  -3.435
  209    H    PHE  31           H        PHE  31   3.251   4.246   0.340
  210    HA   PHE  31           HA       PHE  31   0.705   4.164   1.590
  211    HB2  PHE  31           2HB      PHE  31   3.264   3.197   2.857
  212    HB3  PHE  31           1HB      PHE  31   1.618   2.675   3.201
  213    HD1  PHE  31           1HD      PHE  31   0.411   2.047   0.742
  214    HD2  PHE  31           2HD      PHE  31   4.474   1.514   1.886
  215    HE1  PHE  31           1HE      PHE  31   0.625   0.217  -0.888
  216    HE2  PHE  31           2HE      PHE  31   4.697  -0.312   0.256
  217    HZ   PHE  31           HZ       PHE  31   2.771  -0.962  -1.136
  218    H    THR  32           H        THR  32   3.731   5.800   2.514
  219    HA   THR  32           HA       THR  32   2.650   6.631   5.024
  220    HB   THR  32           HB       THR  32   5.049   6.377   4.813
  221    HG1  THR  32           1HG      THR  32   3.902   8.809   5.537
  222   HG21  THR  32          3HG2      THR  32   6.363   8.091   3.541
  223   HG22  THR  32          1HG2      THR  32   4.854   8.604   2.785
  224   HG23  THR  32          2HG2      THR  32   5.460   6.963   2.533
  225    H    LYS  33           H        LYS  33   2.548   7.917   1.822
  226    HA   LYS  33           HA       LYS  33   1.905  10.606   2.552
  227    HB2  LYS  33           2HB      LYS  33   2.833   9.714   0.326
  228    HB3  LYS  33           1HB      LYS  33   1.178   9.259  -0.040
  229    HG2  LYS  33           2HG      LYS  33   0.466  11.540   0.022
  230    HG3  LYS  33           1HG      LYS  33   2.046  12.064   0.616
  231    HD2  LYS  33           2HD      LYS  33   3.048  11.161  -1.490
  232    HD3  LYS  33           1HD      LYS  33   1.412  10.873  -2.084
  233    HE2  LYS  33           2HE      LYS  33   0.914  13.236  -1.957
  234    HE3  LYS  33           1HE      LYS  33   2.485  13.556  -1.225
  235    HZ1  LYS  33           3HZ      LYS  33   2.002  12.557  -3.984
  236    HZ2  LYS  33           1HZ      LYS  33   3.529  12.760  -3.282
  237    HZ3  LYS  33           2HZ      LYS  33   2.537  14.101  -3.554
  238    H    VAL  34           H        VAL  34   0.018   7.776   1.519
  239    HA   VAL  34           HA       VAL  34  -2.469   9.159   1.850
  240    HB   VAL  34           HB       VAL  34  -3.473   7.173   1.049
  241   HG11  VAL  34          1HG1      VAL  34  -2.275   6.782  -1.043
  242   HG12  VAL  34          2HG1      VAL  34  -0.856   7.573  -0.358
  243   HG13  VAL  34          3HG1      VAL  34  -2.335   8.496  -0.628
  244   HG21  VAL  34          3HG2      VAL  34  -2.262   5.069   0.712
  245   HG22  VAL  34          1HG2      VAL  34  -2.323   5.530   2.414
  246   HG23  VAL  34          2HG2      VAL  34  -0.846   5.782   1.484
  247    H    GLY  35           H        GLY  35  -0.355   7.575   3.914
  248    HA2  GLY  35           2HA      GLY  35  -0.560   7.199   6.188
  249    HA3  GLY  35           1HA      GLY  35  -2.255   7.639   6.073
  250    H    LEU  36           H        LEU  36  -0.653   5.141   4.169
  251    HA   LEU  36           HA       LEU  36  -2.689   3.270   4.989
  252    HB2  LEU  36           2HB      LEU  36  -1.292   3.623   2.678
  253    HB3  LEU  36           1HB      LEU  36  -0.460   2.250   3.382
  254    HG   LEU  36           HG       LEU  36  -3.415   2.411   2.847
  255   HD11  LEU  36          1HD1      LEU  36  -2.984   0.744   1.107
  256   HD12  LEU  36          2HD1      LEU  36  -1.255   0.866   1.427
  257   HD13  LEU  36          3HD1      LEU  36  -2.132   2.256   0.783
  258   HD21  LEU  36          3HD2      LEU  36  -3.348  -0.029   3.318
  259   HD22  LEU  36          1HD2      LEU  36  -3.055   1.002   4.718
  260   HD23  LEU  36          2HD2      LEU  36  -1.708   0.195   3.922
  261    H    ALA  37           H        ALA  37   0.706   3.798   5.616
  262    HA   ALA  37           HA       ALA  37   1.255   1.266   6.781
  263    HB1  ALA  37           1HB      ALA  37   2.617   3.908   7.312
  264    HB2  ALA  37           2HB      ALA  37   2.993   2.824   5.974
  265    HB3  ALA  37           3HB      ALA  37   3.267   2.302   7.637
  266    H    ALA  38           H        ALA  38  -0.489   3.998   7.834
  267    HA   ALA  38           HA       ALA  38  -0.391   3.157  10.636
  268    HB1  ALA  38           1HB      ALA  38  -0.042   5.533  10.182
  269    HB2  ALA  38           2HB      ALA  38  -1.507   5.268  11.128
  270    HB3  ALA  38           3HB      ALA  38  -1.622   5.618   9.405
  271    H    LYS  39           H        LYS  39  -2.137   2.317   7.980
  272    HA   LYS  39           HA       LYS  39  -4.798   2.479   8.978
  273    HB2  LYS  39           2HB      LYS  39  -3.529   0.841   6.795
  274    HB3  LYS  39           1HB      LYS  39  -5.241   0.720   7.186
  275    HG2  LYS  39           2HG      LYS  39  -3.892   3.312   6.476
  276    HG3  LYS  39           1HG      LYS  39  -4.662   2.259   5.287
  277    HD2  LYS  39           2HD      LYS  39  -6.794   2.519   6.337
  278    HD3  LYS  39           1HD      LYS  39  -6.075   3.359   7.712
  279    HE2  LYS  39           2HE      LYS  39  -5.926   4.400   4.895
  280    HE3  LYS  39           1HE      LYS  39  -7.241   4.806   5.995
  281    HZ1  LYS  39           3HZ      LYS  39  -5.705   5.823   7.487
  282    HZ2  LYS  39           1HZ      LYS  39  -5.430   6.460   5.947
  283    HZ3  LYS  39           2HZ      LYS  39  -4.371   5.303   6.584
  284    H    SER  40           H        SER  40  -6.082   0.948   9.921
  285    HA   SER  40           HA       SER  40  -4.721  -0.850  11.699
  286    HB2  SER  40           2HB      SER  40  -7.701  -0.495  11.317
  287    HB3  SER  40           1HB      SER  40  -6.868  -1.099  12.748
  288    HG   SER  40           HG       SER  40  -6.618   0.883  13.386
  289    HA   PRO  41           HA       PRO  41  -4.949  -4.824   9.804
  290    HB2  PRO  41           2HB      PRO  41  -7.050  -5.525  11.821
  291    HB3  PRO  41           1HB      PRO  41  -5.636  -6.454  11.305
  292    HG2  PRO  41           2HG      PRO  41  -5.580  -5.110  13.590
  293    HG3  PRO  41           1HG      PRO  41  -4.162  -5.134  12.527
  294    HD2  PRO  41           2HD      PRO  41  -6.107  -2.945  13.034
  295    HD3  PRO  41           1HD      PRO  41  -4.385  -2.852  12.620
  296    H    ALA  42           H        ALA  42  -8.222  -3.746  10.780
  297    HA   ALA  42           HA       ALA  42  -9.617  -5.220   8.833
  298    HB1  ALA  42           1HB      ALA  42 -11.505  -3.755   9.315
  299    HB2  ALA  42           2HB      ALA  42 -10.433  -2.639  10.159
  300    HB3  ALA  42           3HB      ALA  42 -10.699  -4.260  10.800
  301    H    ASP  43           H        ASP  43  -8.422  -1.882   8.797
  302    HA   ASP  43           HA       ASP  43  -9.422  -1.202   6.242
  303    HB2  ASP  43           2HB      ASP  43  -6.971  -0.113   7.646
  304    HB3  ASP  43           1HB      ASP  43  -7.809   0.644   6.297
  305    H    ILE  44           H        ILE  44  -6.318  -2.440   7.360
  306    HA   ILE  44           HA       ILE  44  -5.049  -2.516   4.858
  307    HB   ILE  44           HB       ILE  44  -4.530  -3.527   7.557
  308   HG12  ILE  44          2HG1      ILE  44  -3.496  -1.511   6.628
  309   HG13  ILE  44          1HG1      ILE  44  -2.277  -2.704   7.071
  310   HG21  ILE  44          1HG2      ILE  44  -4.383  -5.666   6.410
  311   HG22  ILE  44          2HG2      ILE  44  -2.789  -5.118   6.928
  312   HG23  ILE  44          3HG2      ILE  44  -3.264  -4.971   5.234
  313   HD11  ILE  44          3HD1      ILE  44  -1.682  -1.700   4.985
  314   HD12  ILE  44          1HD1      ILE  44  -3.260  -2.080   4.298
  315   HD13  ILE  44          2HD1      ILE  44  -2.139  -3.379   4.702
  316    H    LYS  45           H        LYS  45  -7.222  -4.763   6.443
  317    HA   LYS  45           HA       LYS  45  -6.698  -7.014   4.833
  318    HB2  LYS  45           2HB      LYS  45  -7.897  -7.093   6.996
  319    HB3  LYS  45           1HB      LYS  45  -9.267  -6.289   6.248
  320    HG2  LYS  45           2HG      LYS  45  -9.577  -8.720   6.472
  321    HG3  LYS  45           1HG      LYS  45  -9.649  -8.169   4.798
  322    HD2  LYS  45           2HD      LYS  45  -8.359 -10.246   5.026
  323    HD3  LYS  45           1HD      LYS  45  -7.364  -8.922   4.426
  324    HE2  LYS  45           2HE      LYS  45  -6.145 -10.199   6.086
  325    HE3  LYS  45           1HE      LYS  45  -6.481  -8.580   6.697
  326    HZ1  LYS  45           3HZ      LYS  45  -8.312  -9.477   7.981
  327    HZ2  LYS  45           1HZ      LYS  45  -6.877 -10.279   8.369
  328    HZ3  LYS  45           2HZ      LYS  45  -8.020 -11.025   7.374
  329    H    LYS  46           H        LYS  46  -9.131  -4.418   4.509
  330    HA   LYS  46           HA       LYS  46 -10.236  -5.529   2.136
  331    HB2  LYS  46           2HB      LYS  46 -11.361  -3.379   1.813
  332    HB3  LYS  46           1HB      LYS  46 -11.539  -3.948   3.460
  333    HG2  LYS  46           2HG      LYS  46 -11.122  -1.736   3.813
  334    HG3  LYS  46           1HG      LYS  46  -9.488  -2.385   3.904
  335    HD2  LYS  46           2HD      LYS  46  -9.148  -0.596   2.510
  336    HD3  LYS  46           1HD      LYS  46  -9.479  -1.859   1.327
  337    HE2  LYS  46           2HE      LYS  46 -11.588   0.008   2.402
  338    HE3  LYS  46           1HE      LYS  46 -10.655   0.338   0.947
  339    HZ1  LYS  46           3HZ      LYS  46 -12.793  -0.637   0.419
  340    HZ2  LYS  46           1HZ      LYS  46 -12.443  -1.996   1.361
  341    HZ3  LYS  46           2HZ      LYS  46 -11.548  -1.686  -0.038
  342    H    VAL  47           H        VAL  47  -7.503  -3.504   2.822
  343    HA   VAL  47           HA       VAL  47  -6.965  -2.652   0.185
  344    HB   VAL  47           HB       VAL  47  -5.052  -3.100   2.482
  345   HG11  VAL  47          1HG1      VAL  47  -3.528  -1.632   1.257
  346   HG12  VAL  47          2HG1      VAL  47  -4.655  -1.595  -0.098
  347   HG13  VAL  47          3HG1      VAL  47  -3.872  -3.108   0.355
  348   HG21  VAL  47          3HG2      VAL  47  -6.380  -0.589   1.465
  349   HG22  VAL  47          1HG2      VAL  47  -5.200  -0.676   2.772
  350   HG23  VAL  47          2HG2      VAL  47  -6.779  -1.441   2.957
  351    H    PHE  48           H        PHE  48  -5.993  -5.501   2.033
  352    HA   PHE  48           HA       PHE  48  -4.386  -6.795   0.177
  353    HB2  PHE  48           2HB      PHE  48  -6.344  -7.906   2.187
  354    HB3  PHE  48           1HB      PHE  48  -5.285  -8.928   1.227
  355    HD1  PHE  48           1HD      PHE  48  -3.458  -6.047   1.820
  356    HD2  PHE  48           2HD      PHE  48  -4.927  -9.502   3.825
  357    HE1  PHE  48           1HE      PHE  48  -1.687  -5.817   3.509
  358    HE2  PHE  48           2HE      PHE  48  -3.160  -9.277   5.519
  359    HZ   PHE  48           HZ       PHE  48  -1.537  -7.434   5.362
  360    H    GLU  49           H        GLU  49  -7.856  -6.505   0.361
  361    HA   GLU  49           HA       GLU  49  -8.344  -8.317  -1.816
  362    HB2  GLU  49           2HB      GLU  49 -10.084  -8.357  -0.322
  363    HB3  GLU  49           1HB      GLU  49  -9.917  -6.660   0.092
  364    HG2  GLU  49           2HG      GLU  49 -10.940  -6.076  -2.048
  365    HG3  GLU  49           1HG      GLU  49 -11.199  -7.790  -2.378
  366    H    ILE  50           H        ILE  50  -7.488  -5.000  -1.525
  367    HA   ILE  50           HA       ILE  50  -8.773  -4.096  -3.914
  368    HB   ILE  50           HB       ILE  50  -6.379  -2.845  -2.560
  369   HG12  ILE  50          2HG1      ILE  50  -9.314  -2.187  -2.253
  370   HG13  ILE  50          1HG1      ILE  50  -8.367  -3.084  -1.070
  371   HG21  ILE  50          1HG2      ILE  50  -7.079  -0.814  -3.712
  372   HG22  ILE  50          2HG2      ILE  50  -8.416  -1.685  -4.462
  373   HG23  ILE  50          3HG2      ILE  50  -6.754  -2.100  -4.872
  374   HD11  ILE  50          3HD1      ILE  50  -8.020  -0.221  -1.910
  375   HD12  ILE  50          1HD1      ILE  50  -6.859  -1.098  -0.911
  376   HD13  ILE  50          2HD1      ILE  50  -8.505  -0.836  -0.330
  377    H    ILE  51           H        ILE  51  -5.469  -5.327  -3.222
  378    HA   ILE  51           HA       ILE  51  -4.563  -4.958  -5.911
  379    HB   ILE  51           HB       ILE  51  -2.932  -6.957  -5.336
  380   HG12  ILE  51          2HG1      ILE  51  -4.411  -7.298  -3.146
  381   HG13  ILE  51          1HG1      ILE  51  -2.673  -7.580  -3.137
  382   HG21  ILE  51          1HG2      ILE  51  -2.748  -4.243  -4.047
  383   HG22  ILE  51          2HG2      ILE  51  -2.204  -4.705  -5.659
  384   HG23  ILE  51          3HG2      ILE  51  -1.408  -5.376  -4.234
  385   HD11  ILE  51          3HD1      ILE  51  -3.210  -6.356  -1.183
  386   HD12  ILE  51          1HD1      ILE  51  -4.147  -5.169  -2.091
  387   HD13  ILE  51          2HD1      ILE  51  -2.395  -5.245  -2.277
  388    H    ASP  52           H        ASP  52  -6.627  -7.144  -4.386
  389    HA   ASP  52           HA       ASP  52  -6.686  -8.924  -6.704
  390    HB2  ASP  52           2HB      ASP  52  -6.709  -9.773  -4.261
  391    HB3  ASP  52           1HB      ASP  52  -8.341  -9.152  -4.198
  392    H    GLN  53           H        GLN  53  -7.485  -6.745  -7.723
  393    HA   GLN  53           HA       GLN  53  -9.893  -5.540  -7.063
  394    HB2  GLN  53           2HB      GLN  53  -9.941  -4.661  -9.345
  395    HB3  GLN  53           1HB      GLN  53  -8.321  -4.567  -8.668
  396    HG2  GLN  53           2HG      GLN  53  -7.546  -6.338  -9.994
  397    HG3  GLN  53           1HG      GLN  53  -9.178  -6.848 -10.416
  398   HE21  GLN  53          1HE2      GLN  53 -10.072  -4.111 -10.924
  399   HE22  GLN  53          2HE2      GLN  53  -9.378  -3.666 -12.442
  400    H    ASP  54           H        ASP  54  -9.280  -8.366  -8.984
  401    HA   ASP  54           HA       ASP  54 -11.962  -8.637  -9.970
  402    HB2  ASP  54           2HB      ASP  54 -10.293  -9.548 -11.351
  403    HB3  ASP  54           1HB      ASP  54  -9.513 -10.379 -10.012
  404    H    LYS  55           H        LYS  55 -10.402  -9.469  -7.069
  405    HA   LYS  55           HA       LYS  55 -11.019 -10.496  -5.175
  406    HB2  LYS  55           2HB      LYS  55 -13.090  -9.137  -5.502
  407    HB3  LYS  55           1HB      LYS  55 -13.830 -10.535  -6.269
  408    HG2  LYS  55           2HG      LYS  55 -14.464 -10.279  -3.899
  409    HG3  LYS  55           1HG      LYS  55 -13.656 -11.811  -4.236
  410    HD2  LYS  55           2HD      LYS  55 -11.525 -10.802  -3.424
  411    HD3  LYS  55           1HD      LYS  55 -12.431  -9.354  -2.982
  412    HE2  LYS  55           2HE      LYS  55 -13.051 -12.103  -1.935
  413    HE3  LYS  55           1HE      LYS  55 -12.003 -10.956  -1.107
  414    HZ1  LYS  55           3HZ      LYS  55 -13.818  -9.426  -0.917
  415    HZ2  LYS  55           1HZ      LYS  55 -14.297 -10.925  -0.287
  416    HZ3  LYS  55           2HZ      LYS  55 -14.839 -10.442  -1.815
  417    H    SER  56           H        SER  56  -9.727 -12.176  -6.238
  418    HA   SER  56           HA       SER  56 -11.278 -14.624  -6.777
  419    HB2  SER  56           2HB      SER  56  -8.700 -14.893  -7.859
  420    HB3  SER  56           1HB      SER  56 -10.203 -14.633  -8.748
  421    HG   SER  56           HG       SER  56  -9.739 -12.581  -9.019
  422    H    ASP  57           H        ASP  57  -9.490 -13.154  -4.501
  423    HA   ASP  57           HA       ASP  57  -8.456 -13.828  -2.598
  424    HB2  ASP  57           2HB      ASP  57  -9.099 -16.583  -3.634
  425    HB3  ASP  57           1HB      ASP  57  -8.151 -16.336  -2.172
  426    H    PHE  58           H        PHE  58  -7.383 -14.164  -5.623
  427    HA   PHE  58           HA       PHE  58  -4.601 -14.310  -4.745
  428    HB2  PHE  58           2HB      PHE  58  -5.709 -15.766  -7.163
  429    HB3  PHE  58           1HB      PHE  58  -4.006 -15.640  -6.745
  430    HD1  PHE  58           1HD      PHE  58  -3.101 -16.868  -4.835
  431    HD2  PHE  58           2HD      PHE  58  -7.157 -17.306  -6.045
  432    HE1  PHE  58           1HE      PHE  58  -3.272 -18.934  -3.508
  433    HE2  PHE  58           2HE      PHE  58  -7.336 -19.367  -4.719
  434    HZ   PHE  58           HZ       PHE  58  -5.393 -20.184  -3.449
  435    H    VAL  59           H        VAL  59  -3.444 -12.650  -5.575
  436    HA   VAL  59           HA       VAL  59  -4.838 -10.984  -7.537
  437    HB   VAL  59           HB       VAL  59  -3.986  -9.138  -6.592
  438   HG11  VAL  59          1HG1      VAL  59  -3.811  -9.250  -4.215
  439   HG12  VAL  59          2HG1      VAL  59  -3.428 -10.968  -4.292
  440   HG13  VAL  59          3HG1      VAL  59  -5.027 -10.403  -4.762
  441   HG21  VAL  59          3HG2      VAL  59  -1.512 -10.379  -5.545
  442   HG22  VAL  59          1HG2      VAL  59  -1.852  -8.691  -5.923
  443   HG23  VAL  59          2HG2      VAL  59  -1.647  -9.858  -7.229
  444    H    GLU  60           H        GLU  60  -4.227 -11.003  -9.537
  445    HA   GLU  60           HA       GLU  60  -1.604 -12.047 -10.293
  446    HB2  GLU  60           2HB      GLU  60  -3.977 -11.278 -11.999
  447    HB3  GLU  60           1HB      GLU  60  -2.515 -12.074 -12.571
  448    HG2  GLU  60           2HG      GLU  60  -3.017 -14.060 -11.441
  449    HG3  GLU  60           1HG      GLU  60  -4.231 -13.276 -10.431
  450    H    GLU  61           H        GLU  61  -0.760 -10.814 -12.439
  451    HA   GLU  61           HA       GLU  61   0.018  -8.226 -11.535
  452    HB2  GLU  61           2HB      GLU  61   1.545  -9.511 -12.902
  453    HB3  GLU  61           1HB      GLU  61   0.379  -9.556 -14.221
  454    HG2  GLU  61           2HG      GLU  61   0.570  -7.173 -14.530
  455    HG3  GLU  61           1HG      GLU  61   1.635  -7.045 -13.132
  456    H    ASP  62           H        ASP  62  -2.246  -9.379 -13.993
  457    HA   ASP  62           HA       ASP  62  -2.957  -6.879 -15.054
  458    HB2  ASP  62           2HB      ASP  62  -4.484  -9.470 -14.847
  459    HB3  ASP  62           1HB      ASP  62  -5.166  -8.041 -15.616
  460    H    GLU  63           H        GLU  63  -3.936  -8.550 -12.162
  461    HA   GLU  63           HA       GLU  63  -6.082  -6.780 -11.523
  462    HB2  GLU  63           2HB      GLU  63  -4.527  -8.795  -9.920
  463    HB3  GLU  63           1HB      GLU  63  -5.765  -7.778  -9.190
  464    HG2  GLU  63           2HG      GLU  63  -7.406  -8.665 -10.783
  465    HG3  GLU  63           1HG      GLU  63  -6.162  -9.721 -11.453
  466    H    LEU  64           H        LEU  64  -2.648  -6.916 -10.797
  467    HA   LEU  64           HA       LEU  64  -2.637  -4.782  -8.937
  468    HB2  LEU  64           2HB      LEU  64  -0.692  -6.454 -10.248
  469    HB3  LEU  64           1HB      LEU  64  -0.157  -4.784 -10.241
  470    HG   LEU  64           HG       LEU  64   0.699  -5.991  -8.307
  471   HD11  LEU  64          1HD1      LEU  64  -0.029  -4.461  -6.560
  472   HD12  LEU  64          2HD1      LEU  64  -1.394  -3.962  -7.559
  473   HD13  LEU  64          3HD1      LEU  64   0.253  -3.611  -8.078
  474   HD21  LEU  64          3HD2      LEU  64  -0.816  -6.797  -6.569
  475   HD22  LEU  64          1HD2      LEU  64  -1.061  -7.650  -8.092
  476   HD23  LEU  64          2HD2      LEU  64  -2.196  -6.397  -7.592
  477    H    LYS  65           H        LYS  65  -2.667  -4.960 -12.384
  478    HA   LYS  65           HA       LYS  65  -1.686  -2.406 -13.015
  479    HB2  LYS  65           2HB      LYS  65  -2.950  -4.597 -14.384
  480    HB3  LYS  65           1HB      LYS  65  -3.700  -3.093 -14.890
  481    HG2  LYS  65           2HG      LYS  65  -1.866  -3.762 -16.355
  482    HG3  LYS  65           1HG      LYS  65  -1.564  -2.210 -15.575
  483    HD2  LYS  65           2HD      LYS  65  -0.020  -3.165 -14.061
  484    HD3  LYS  65           1HD      LYS  65  -0.492  -4.810 -14.503
  485    HE2  LYS  65           2HE      LYS  65   0.424  -4.505 -16.721
  486    HE3  LYS  65           1HE      LYS  65   0.818  -2.826 -16.358
  487    HZ1  LYS  65           3HZ      LYS  65   2.752  -4.256 -16.191
  488    HZ2  LYS  65           1HZ      LYS  65   1.986  -5.207 -15.023
  489    HZ3  LYS  65           2HZ      LYS  65   2.375  -3.594 -14.680
  490    H    LEU  66           H        LEU  66  -5.040  -3.547 -12.635
  491    HA   LEU  66           HA       LEU  66  -5.885  -0.748 -12.518
  492    HB2  LEU  66           2HB      LEU  66  -7.542  -3.235 -12.900
  493    HB3  LEU  66           1HB      LEU  66  -8.178  -1.602 -12.833
  494    HG   LEU  66           HG       LEU  66  -8.085  -1.900 -15.099
  495   HD11  LEU  66          1HD1      LEU  66  -6.059  -0.802 -16.008
  496   HD12  LEU  66          2HD1      LEU  66  -5.321  -0.911 -14.405
  497   HD13  LEU  66          3HD1      LEU  66  -6.778   0.058 -14.646
  498   HD21  LEU  66          3HD2      LEU  66  -7.222  -4.132 -15.130
  499   HD22  LEU  66          1HD2      LEU  66  -5.612  -3.567 -14.694
  500   HD23  LEU  66          2HD2      LEU  66  -6.292  -3.158 -16.267
  501    H    PHE  67           H        PHE  67  -4.861  -2.947 -10.430
  502    HA   PHE  67           HA       PHE  67  -6.502  -2.957  -8.228
  503    HB2  PHE  67           2HB      PHE  67  -4.562  -4.005  -7.669
  504    HB3  PHE  67           1HB      PHE  67  -3.594  -2.991  -8.724
  505    HD1  PHE  67           1HD      PHE  67  -5.237  -3.050  -5.393
  506    HD2  PHE  67           2HD      PHE  67  -2.205  -1.354  -7.841
  507    HE1  PHE  67           1HE      PHE  67  -4.300  -1.904  -3.429
  508    HE2  PHE  67           2HE      PHE  67  -1.261  -0.204  -5.882
  509    HZ   PHE  67           HZ       PHE  67  -2.308  -0.479  -3.672
  510    H    LEU  68           H        LEU  68  -4.585  -0.351  -9.581
  511    HA   LEU  68           HA       LEU  68  -4.902   1.570  -7.559
  512    HB2  LEU  68           2HB      LEU  68  -4.616   2.005 -10.535
  513    HB3  LEU  68           1HB      LEU  68  -4.390   3.229  -9.308
  514    HG   LEU  68           HG       LEU  68  -2.240   2.608 -10.005
  515   HD11  LEU  68          1HD1      LEU  68  -2.794   1.098  -7.463
  516   HD12  LEU  68          2HD1      LEU  68  -2.454   2.822  -7.596
  517   HD13  LEU  68          3HD1      LEU  68  -1.215   1.644  -8.027
  518   HD21  LEU  68          3HD2      LEU  68  -2.889  -0.293  -9.548
  519   HD22  LEU  68          1HD2      LEU  68  -1.425   0.384 -10.252
  520   HD23  LEU  68          2HD2      LEU  68  -2.958   0.492 -11.127
  521    H    GLN  69           H        GLN  69  -6.787   0.859 -10.448
  522    HA   GLN  69           HA       GLN  69  -8.674   2.957 -10.036
  523    HB2  GLN  69           2HB      GLN  69  -8.775   0.489 -11.778
  524    HB3  GLN  69           1HB      GLN  69  -9.973   1.775 -11.810
  525    HG2  GLN  69           2HG      GLN  69  -8.234   3.367 -12.469
  526    HG3  GLN  69           1HG      GLN  69  -7.052   2.058 -12.467
  527   HE21  GLN  69          1HE2      GLN  69  -6.615   2.434 -14.653
  528   HE22  GLN  69          2HE2      GLN  69  -7.695   1.910 -15.896
  529    H    ASN  70           H        ASN  70  -8.169   0.017  -8.534
  530    HA   ASN  70           HA       ASN  70 -10.972  -0.286  -7.729
  531    HB2  ASN  70           2HB      ASN  70  -9.574  -2.299  -8.315
  532    HB3  ASN  70           1HB      ASN  70  -8.579  -1.952  -6.907
  533   HD21  ASN  70          1HD2      ASN  70  -9.063  -3.882  -5.914
  534   HD22  ASN  70          2HD2      ASN  70 -10.622  -4.226  -5.243
  535    H    PHE  71           H        PHE  71  -7.942   0.940  -6.698
  536    HA   PHE  71           HA       PHE  71  -8.625   1.222  -3.912
  537    HB2  PHE  71           2HB      PHE  71  -6.265   1.065  -5.107
  538    HB3  PHE  71           1HB      PHE  71  -6.462   2.805  -5.259
  539    HD1  PHE  71           2HD      PHE  71  -7.084   4.045  -3.011
  540    HD2  PHE  71           1HD      PHE  71  -5.239   0.218  -3.252
  541    HE1  PHE  71           2HE      PHE  71  -6.209   4.322  -0.726
  542    HE2  PHE  71           1HE      PHE  71  -4.364   0.489  -0.972
  543    HZ   PHE  71           HZ       PHE  71  -4.849   2.544   0.295
  544    H    SER  72           H        SER  72  -8.267   3.345  -6.727
  545    HA   SER  72           HA       SER  72 -10.366   5.083  -5.732
  546    HB2  SER  72           2HB      SER  72  -7.595   6.142  -6.354
  547    HB3  SER  72           1HB      SER  72  -9.010   7.123  -5.970
  548    HG   SER  72           HG       SER  72  -8.729   5.292  -4.062
  549    H    ALA  73           H        ALA  73 -11.332   6.316  -7.395
  550    HA   ALA  73           HA       ALA  73 -11.423   4.802  -9.791
  551    HB1  ALA  73           1HB      ALA  73 -12.807   7.403  -9.180
  552    HB2  ALA  73           2HB      ALA  73 -13.402   5.804  -8.737
  553    HB3  ALA  73           3HB      ALA  73 -13.241   6.245 -10.437
  554    H    GLY  74           H        GLY  74  -9.669   7.663  -8.961
  555    HA2  GLY  74           2HA      GLY  74  -9.306   8.295 -11.819
  556    HA3  GLY  74           1HA      GLY  74  -9.004   9.407 -10.491
  557    H    ALA  75           H        ALA  75  -7.855   6.438  -9.610
  558    HA   ALA  75           HA       ALA  75  -5.169   7.332  -9.622
  559    HB1  ALA  75           1HB      ALA  75  -6.072   5.837  -7.909
  560    HB2  ALA  75           2HB      ALA  75  -4.639   5.156  -8.680
  561    HB3  ALA  75           3HB      ALA  75  -6.242   4.560  -9.114
  562    H    ARG  76           H        ARG  76  -3.416   6.673 -10.813
  563    HA   ARG  76           HA       ARG  76  -4.000   5.931 -13.531
  564    HB2  ARG  76           2HB      ARG  76  -1.238   6.328 -12.418
  565    HB3  ARG  76           1HB      ARG  76  -1.815   6.628 -14.048
  566    HG2  ARG  76           2HG      ARG  76  -2.504   8.251 -11.609
  567    HG3  ARG  76           1HG      ARG  76  -1.357   8.703 -12.869
  568    HD2  ARG  76           2HD      ARG  76  -3.140   8.773 -14.508
  569    HD3  ARG  76           1HD      ARG  76  -4.299   8.210 -13.305
  570    HE   ARG  76           HE       ARG  76  -3.115  10.522 -12.305
  571   HH11  ARG  76          1HH1      ARG  76  -5.205   9.590 -14.958
  572   HH12  ARG  76          2HH1      ARG  76  -5.988  11.136 -15.050
  573   HH21  ARG  76          1HH2      ARG  76  -4.144  12.556 -12.427
  574   HH22  ARG  76          2HH2      ARG  76  -5.386  12.820 -13.607
  575    H    ALA  77           H        ALA  77  -3.138   4.116 -14.616
  576    HA   ALA  77           HA       ALA  77  -2.745   1.815 -12.896
  577    HB1  ALA  77           1HB      ALA  77  -4.233   1.618 -14.818
  578    HB2  ALA  77           2HB      ALA  77  -2.872   0.501 -14.951
  579    HB3  ALA  77           3HB      ALA  77  -2.891   1.990 -15.900
  580    H    LEU  78           H        LEU  78  -0.867   0.951 -12.406
  581    HA   LEU  78           HA       LEU  78   1.593   2.050 -13.400
  582    HB2  LEU  78           2HB      LEU  78   0.860  -0.087 -11.431
  583    HB3  LEU  78           1HB      LEU  78   2.505   0.016 -12.018
  584    HG   LEU  78           HG       LEU  78   2.758   2.237 -11.085
  585   HD11  LEU  78          1HD1      LEU  78  -0.092   1.980 -10.137
  586   HD12  LEU  78          2HD1      LEU  78   0.470   3.054 -11.416
  587   HD13  LEU  78          3HD1      LEU  78   1.020   3.295  -9.758
  588   HD21  LEU  78          3HD2      LEU  78   3.229   0.353  -9.644
  589   HD22  LEU  78          1HD2      LEU  78   1.539   0.280  -9.147
  590   HD23  LEU  78          2HD2      LEU  78   2.531   1.672  -8.705
  591    H    SER  79           H        SER  79   3.034   1.135 -14.815
  592    HA   SER  79           HA       SER  79   2.547  -1.588 -15.744
  593    HB2  SER  79           2HB      SER  79   2.789   0.789 -17.607
  594    HB3  SER  79           1HB      SER  79   2.755  -0.901 -18.115
  595    HG   SER  79           HG       SER  79   0.675  -0.224 -16.468
  596    H    ASP  80           H        ASP  80   4.381  -2.339 -17.173
  597    HA   ASP  80           HA       ASP  80   6.583  -2.805 -17.432
  598    HB2  ASP  80           2HB      ASP  80   6.908   0.168 -16.987
  599    HB3  ASP  80           1HB      ASP  80   8.167  -0.904 -17.585
  600    H    ALA  81           H        ALA  81   8.375  -0.671 -15.828
  601    HA   ALA  81           HA       ALA  81   9.227  -2.712 -14.075
  602    HB1  ALA  81           1HB      ALA  81  10.772  -1.124 -15.112
  603    HB2  ALA  81           2HB      ALA  81  10.927  -1.133 -13.355
  604    HB3  ALA  81           3HB      ALA  81  10.064   0.180 -14.157
  605    H    GLU  82           H        GLU  82   7.199   0.136 -13.640
  606    HA   GLU  82           HA       GLU  82   7.517   0.234 -10.815
  607    HB2  GLU  82           2HB      GLU  82   5.093   1.433 -11.198
  608    HB3  GLU  82           1HB      GLU  82   6.646   2.244 -11.261
  609    HG2  GLU  82           2HG      GLU  82   5.331   1.072 -13.691
  610    HG3  GLU  82           1HG      GLU  82   5.024   2.715 -13.134
  611    H    THR  83           H        THR  83   5.478  -1.678 -12.876
  612    HA   THR  83           HA       THR  83   3.814  -2.526 -10.679
  613    HB   THR  83           HB       THR  83   4.168  -4.197 -13.142
  614    HG1  THR  83           1HG      THR  83   3.245  -1.583 -13.024
  615   HG21  THR  83          3HG2      THR  83   1.784  -4.608 -12.800
  616   HG22  THR  83          1HG2      THR  83   1.772  -3.468 -11.454
  617   HG23  THR  83          2HG2      THR  83   2.697  -4.965 -11.335
  618    H    LYS  84           H        LYS  84   6.592  -3.795 -12.466
  619    HA   LYS  84           HA       LYS  84   6.699  -6.298 -11.182
  620    HB2  LYS  84           2HB      LYS  84   7.789  -5.709 -13.350
  621    HB3  LYS  84           1HB      LYS  84   8.980  -4.780 -12.452
  622    HG2  LYS  84           2HG      LYS  84   9.750  -6.786 -11.338
  623    HG3  LYS  84           1HG      LYS  84   8.504  -7.740 -12.148
  624    HD2  LYS  84           2HD      LYS  84   9.503  -7.097 -14.325
  625    HD3  LYS  84           1HD      LYS  84  10.796  -6.276 -13.452
  626    HE2  LYS  84           2HE      LYS  84  10.140  -9.209 -13.223
  627    HE3  LYS  84           1HE      LYS  84  11.429  -8.534 -14.215
  628    HZ1  LYS  84           3HZ      LYS  84  12.313  -9.313 -12.138
  629    HZ2  LYS  84           1HZ      LYS  84  11.219  -8.366 -11.259
  630    HZ3  LYS  84           2HZ      LYS  84  12.428  -7.628 -12.187
  631    H    VAL  85           H        VAL  85   8.454  -3.264 -10.551
  632    HA   VAL  85           HA       VAL  85   9.946  -4.337  -8.368
  633    HB   VAL  85           HB       VAL  85   9.338  -1.440  -8.993
  634   HG11  VAL  85          1HG1      VAL  85  11.470  -2.677  -7.252
  635   HG12  VAL  85          2HG1      VAL  85  10.085  -1.734  -6.700
  636   HG13  VAL  85          3HG1      VAL  85  11.348  -0.967  -7.661
  637   HG21  VAL  85          3HG2      VAL  85  10.444  -2.502 -10.863
  638   HG22  VAL  85          1HG2      VAL  85  11.670  -3.180  -9.791
  639   HG23  VAL  85          2HG2      VAL  85  11.579  -1.436 -10.033
  640    H    PHE  86           H        PHE  86   6.917  -2.535  -8.652
  641    HA   PHE  86           HA       PHE  86   6.445  -2.204  -5.902
  642    HB2  PHE  86           2HB      PHE  86   5.236  -0.992  -7.677
  643    HB3  PHE  86           1HB      PHE  86   4.452  -2.482  -8.161
  644    HD1  PHE  86           1HD      PHE  86   4.762  -0.021  -5.431
  645    HD2  PHE  86           2HD      PHE  86   2.506  -3.250  -7.040
  646    HE1  PHE  86           1HE      PHE  86   2.957   0.449  -3.831
  647    HE2  PHE  86           2HE      PHE  86   0.696  -2.784  -5.441
  648    HZ   PHE  86           HZ       PHE  86   0.919  -0.933  -3.835
  649    H    LEU  87           H        LEU  87   5.708  -4.866  -8.124
  650    HA   LEU  87           HA       LEU  87   4.320  -6.489  -6.287
  651    HB2  LEU  87           2HB      LEU  87   6.030  -7.251  -8.654
  652    HB3  LEU  87           1HB      LEU  87   5.049  -8.386  -7.751
  653    HG   LEU  87           HG       LEU  87   3.958  -6.011  -9.264
  654   HD11  LEU  87          1HD1      LEU  87   3.984  -8.930 -10.011
  655   HD12  LEU  87          2HD1      LEU  87   4.945  -7.661 -10.768
  656   HD13  LEU  87          3HD1      LEU  87   3.187  -7.634 -10.904
  657   HD21  LEU  87          3HD2      LEU  87   2.645  -8.294  -7.803
  658   HD22  LEU  87          1HD2      LEU  87   1.809  -7.299  -8.994
  659   HD23  LEU  87          2HD2      LEU  87   2.447  -6.564  -7.525
  660    H    LYS  88           H        LYS  88   7.739  -6.408  -7.217
  661    HA   LYS  88           HA       LYS  88   8.620  -8.418  -5.470
  662    HB2  LYS  88           2HB      LYS  88   9.928  -6.245  -7.023
  663    HB3  LYS  88           1HB      LYS  88  10.864  -7.017  -5.750
  664    HG2  LYS  88           2HG      LYS  88   9.477  -8.574  -7.909
  665    HG3  LYS  88           1HG      LYS  88  11.129  -7.969  -8.063
  666    HD2  LYS  88           2HD      LYS  88  11.717  -9.175  -5.982
  667    HD3  LYS  88           1HD      LYS  88  10.089  -9.854  -5.951
  668    HE2  LYS  88           2HE      LYS  88  10.471 -10.991  -8.042
  669    HE3  LYS  88           1HE      LYS  88  12.047 -10.217  -8.215
  670    HZ1  LYS  88           3HZ      LYS  88  12.206 -12.503  -7.398
  671    HZ2  LYS  88           1HZ      LYS  88  11.300 -12.088  -6.033
  672    HZ3  LYS  88           2HZ      LYS  88  12.823 -11.399  -6.278
  673    H    ALA  89           H        ALA  89   7.703  -5.192  -4.801
  674    HA   ALA  89           HA       ALA  89   9.268  -4.669  -2.526
  675    HB1  ALA  89           1HB      ALA  89   7.907  -2.962  -3.652
  676    HB2  ALA  89           2HB      ALA  89   7.562  -3.042  -1.924
  677    HB3  ALA  89           3HB      ALA  89   6.443  -3.763  -3.079
  678    H    GLY  90           H        GLY  90   6.426  -6.636  -3.016
  679    HA2  GLY  90           2HA      GLY  90   6.461  -7.309  -0.137
  680    HA3  GLY  90           1HA      GLY  90   4.977  -7.218  -1.073
  681    H    ASP  91           H        ASP  91   5.782  -8.531  -3.396
  682    HA   ASP  91           HA       ASP  91   5.433 -11.244  -2.627
  683    HB2  ASP  91           2HB      ASP  91   4.635 -10.349  -4.775
  684    HB3  ASP  91           1HB      ASP  91   6.309 -10.168  -5.305
  685    H    SER  92           H        SER  92   6.948 -12.480  -1.769
  686    HA   SER  92           HA       SER  92   9.770 -11.836  -2.247
  687    HB2  SER  92           2HB      SER  92   8.788 -12.014   0.102
  688    HB3  SER  92           1HB      SER  92   8.643 -13.744  -0.191
  689    HG   SER  92           HG       SER  92  10.899 -12.185   0.248
  690    H    ASP  93           H        ASP  93   7.418 -13.850  -3.386
  691    HA   ASP  93           HA       ASP  93   9.113 -16.227  -3.618
  692    HB2  ASP  93           2HB      ASP  93   6.360 -16.075  -4.775
  693    HB3  ASP  93           1HB      ASP  93   7.207 -17.457  -4.094
  694    H    GLY  94           H        GLY  94   8.062 -13.559  -5.493
  695    HA2  GLY  94           2HA      GLY  94   8.702 -12.939  -7.631
  696    HA3  GLY  94           1HA      GLY  94   9.564 -14.467  -7.780
  697    H    ASP  95           H        ASP  95   6.184 -14.006  -6.936
  698    HA   ASP  95           HA       ASP  95   5.399 -16.000  -8.878
  699    HB2  ASP  95           2HB      ASP  95   3.533 -14.280  -7.244
  700    HB3  ASP  95           1HB      ASP  95   3.212 -15.861  -7.939
  701    H    GLY  96           H        GLY  96   5.705 -12.612  -8.768
  702    HA2  GLY  96           2HA      GLY  96   5.194 -11.006 -10.380
  703    HA3  GLY  96           1HA      GLY  96   4.387 -12.255 -11.326
  704    H    LYS  97           H        LYS  97   3.791 -11.658  -7.961
  705    HA   LYS  97           HA       LYS  97   1.114 -10.592  -8.497
  706    HB2  LYS  97           2HB      LYS  97  -0.006 -12.428  -7.728
  707    HB3  LYS  97           1HB      LYS  97   1.420 -13.267  -8.314
  708    HG2  LYS  97           2HG      LYS  97   2.347 -13.010  -5.922
  709    HG3  LYS  97           1HG      LYS  97   0.690 -12.567  -5.487
  710    HD2  LYS  97           2HD      LYS  97   1.583 -15.163  -6.734
  711    HD3  LYS  97           1HD      LYS  97   0.981 -14.923  -5.095
  712    HE2  LYS  97           2HE      LYS  97  -1.204 -14.338  -5.935
  713    HE3  LYS  97           1HE      LYS  97  -0.621 -14.397  -7.597
  714    HZ1  LYS  97           3HZ      LYS  97  -1.780 -16.408  -7.132
  715    HZ2  LYS  97           1HZ      LYS  97  -0.884 -16.678  -5.718
  716    HZ3  LYS  97           2HZ      LYS  97  -0.132 -16.780  -7.226
  717    H    ILE  98           H        ILE  98   0.017 -10.106  -6.326
  718    HA   ILE  98           HA       ILE  98   2.060  -9.645  -4.246
  719    HB   ILE  98           HB       ILE  98  -0.518  -8.186  -4.781
  720   HG12  ILE  98          2HG1      ILE  98   1.408  -7.404  -6.059
  721   HG13  ILE  98          1HG1      ILE  98   0.938  -6.208  -4.856
  722   HG21  ILE  98          1HG2      ILE  98  -0.180  -6.940  -2.753
  723   HG22  ILE  98          2HG2      ILE  98   1.267  -7.879  -2.387
  724   HG23  ILE  98          3HG2      ILE  98  -0.314  -8.659  -2.389
  725   HD11  ILE  98          3HD1      ILE  98   3.267  -6.281  -4.772
  726   HD12  ILE  98          1HD1      ILE  98   3.304  -8.043  -4.837
  727   HD13  ILE  98          2HD1      ILE  98   2.737  -7.225  -3.382
  728    H    GLY  99           H        GLY  99   1.963 -11.518  -3.048
  729    HA2  GLY  99           2HA      GLY  99  -0.395 -12.792  -2.218
  730    HA3  GLY  99           1HA      GLY  99   1.104 -12.741  -1.287
  731    H    VAL 100           H        VAL 100  -1.876 -12.277  -0.591
  732    HA   VAL 100           HA       VAL 100  -2.349  -9.599  -0.204
  733    HB   VAL 100           HB       VAL 100  -3.895 -10.447   1.626
  734   HG11  VAL 100          1HG1      VAL 100  -4.662  -9.937  -0.615
  735   HG12  VAL 100          2HG1      VAL 100  -5.436 -11.425  -0.067
  736   HG13  VAL 100          3HG1      VAL 100  -4.080 -11.498  -1.195
  737   HG21  VAL 100          3HG2      VAL 100  -3.098 -13.122   0.519
  738   HG22  VAL 100          1HG2      VAL 100  -4.359 -12.808   1.708
  739   HG23  VAL 100          2HG2      VAL 100  -2.669 -12.523   2.121
  740    H    ASP 101           H        ASP 101  -0.893 -11.937   2.015
  741    HA   ASP 101           HA       ASP 101  -0.483  -9.935   4.036
  742    HB2  ASP 101           2HB      ASP 101   0.472 -11.697   5.341
  743    HB3  ASP 101           1HB      ASP 101  -0.934 -12.348   4.497
  744    H    GLU 102           H        GLU 102   1.197 -11.069   1.274
  745    HA   GLU 102           HA       GLU 102   3.805 -10.165   1.960
  746    HB2  GLU 102           2HB      GLU 102   2.546 -10.374  -0.801
  747    HB3  GLU 102           1HB      GLU 102   4.265 -10.203  -0.458
  748    HG2  GLU 102           2HG      GLU 102   4.023 -12.391   0.859
  749    HG3  GLU 102           1HG      GLU 102   2.493 -12.571   0.010
  750    H    PHE 103           H        PHE 103   0.944  -8.674   0.574
  751    HA   PHE 103           HA       PHE 103   2.086  -6.186  -0.109
  752    HB2  PHE 103           2HB      PHE 103  -0.225  -7.116  -0.750
  753    HB3  PHE 103           1HB      PHE 103  -0.758  -6.539   0.824
  754    HD1  PHE 103           1HD      PHE 103   1.007  -5.351  -2.228
  755    HD2  PHE 103           2HD      PHE 103  -1.597  -4.391   0.998
  756    HE1  PHE 103           1HE      PHE 103   0.647  -3.123  -3.194
  757    HE2  PHE 103           2HE      PHE 103  -1.960  -2.156   0.029
  758    HZ   PHE 103           HZ       PHE 103  -0.841  -1.521  -2.065
  759    H    GLY 104           H        GLY 104   0.340  -7.270   2.791
  760    HA2  GLY 104           2HA      GLY 104   0.487  -4.918   4.278
  761    HA3  GLY 104           1HA      GLY 104   0.448  -6.533   4.970
  762    H    ALA 105           H        ALA 105   2.902  -7.440   3.836
  763    HA   ALA 105           HA       ALA 105   4.720  -6.496   5.783
  764    HB1  ALA 105           1HB      ALA 105   4.793  -8.770   4.860
  765    HB2  ALA 105           2HB      ALA 105   6.345  -7.947   4.712
  766    HB3  ALA 105           3HB      ALA 105   5.299  -8.113   3.303
  767    H    MET 106           H        MET 106   4.274  -5.705   2.355
  768    HA   MET 106           HA       MET 106   6.726  -4.231   2.179
  769    HB2  MET 106           2HB      MET 106   6.215  -3.821  -0.028
  770    HB3  MET 106           1HB      MET 106   5.249  -5.262   0.250
  771    HG2  MET 106           2HG      MET 106   3.258  -4.062   0.319
  772    HG3  MET 106           1HG      MET 106   4.079  -2.534   0.615
  773    HE1  MET 106           3HE      MET 106   4.632  -5.371  -2.187
  774    HE2  MET 106           1HE      MET 106   3.621  -4.653  -3.441
  775    HE3  MET 106           2HE      MET 106   2.903  -5.160  -1.914
  776    H    ILE 107           H        ILE 107   3.534  -3.520   3.262
  777    HA   ILE 107           HA       ILE 107   3.724  -0.665   2.908
  778    HB   ILE 107           HB       ILE 107   1.759  -2.294   4.547
  779   HG12  ILE 107          2HG1      ILE 107   1.529  -1.128   1.763
  780   HG13  ILE 107          1HG1      ILE 107   1.729  -2.835   2.145
  781   HG21  ILE 107          1HG2      ILE 107   1.601   0.574   3.623
  782   HG22  ILE 107          2HG2      ILE 107   1.897   0.041   5.276
  783   HG23  ILE 107          3HG2      ILE 107   0.351  -0.307   4.501
  784   HD11  ILE 107          3HD1      ILE 107  -0.565  -2.363   1.622
  785   HD12  ILE 107          1HD1      ILE 107  -0.620  -1.105   2.854
  786   HD13  ILE 107          2HD1      ILE 107  -0.421  -2.791   3.326
  787    H    LYS 108           H        LYS 108   4.319  -3.016   5.359
  788    HA   LYS 108           HA       LYS 108   4.805  -1.020   7.404
  789    HB2  LYS 108           2HB      LYS 108   3.640  -2.980   8.079
  790    HB3  LYS 108           1HB      LYS 108   4.846  -4.038   7.359
  791    HG2  LYS 108           2HG      LYS 108   5.776  -2.221   9.501
  792    HG3  LYS 108           1HG      LYS 108   4.699  -3.534   9.978
  793    HD2  LYS 108           2HD      LYS 108   7.231  -3.899   8.378
  794    HD3  LYS 108           1HD      LYS 108   7.122  -4.101  10.126
  795    HE2  LYS 108           2HE      LYS 108   5.441  -5.868   9.797
  796    HE3  LYS 108           1HE      LYS 108   5.601  -5.681   8.052
  797    HZ1  LYS 108           3HZ      LYS 108   7.783  -6.491   9.892
  798    HZ2  LYS 108           1HZ      LYS 108   7.903  -6.352   8.214
  799    HZ3  LYS 108           2HZ      LYS 108   6.910  -7.538   8.894
  800    H    ALA 109           H        ALA 109   6.539  -2.490   4.928
  801    HA   ALA 109           HA       ALA 109   9.092  -2.667   6.222
  802    HB1  ALA 109           1HB      ALA 109   8.445  -2.686   3.277
  803    HB2  ALA 109           2HB      ALA 109   8.506  -4.106   4.320
  804    HB3  ALA 109           3HB      ALA 109   9.970  -3.171   4.017
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1 -14.563  10.928   3.605
    2    H2   MET   1           2HT      MET   1 -13.442  12.094   4.090
    3    H3   MET   1           3HT      MET   1 -12.905  10.637   3.427
    4    HA   MET   1           HA       MET   1 -14.425  12.756   2.030
    5    HB2  MET   1           2HB      MET   1 -11.970  13.162   2.474
    6    HB3  MET   1           1HB      MET   1 -11.630  11.748   1.488
    7    HG2  MET   1           2HG      MET   1 -12.785  12.841  -0.405
    8    HG3  MET   1           1HG      MET   1 -12.979  14.281   0.592
    9    HE1  MET   1           2HE      MET   1 -11.744  14.650  -2.141
   10    HE2  MET   1           3HE      MET   1 -10.246  15.530  -1.845
   11    HE3  MET   1           1HE      MET   1 -11.713  15.965  -0.968
   12    H    ALA   2           H        ALA   2 -12.593   9.714   1.546
   13    HA   ALA   2           HA       ALA   2 -14.544   9.022  -0.545
   14    HB1  ALA   2           1HB      ALA   2 -12.753   8.012  -1.853
   15    HB2  ALA   2           2HB      ALA   2 -11.574   8.516  -0.643
   16    HB3  ALA   2           3HB      ALA   2 -12.446   9.728  -1.583
   17    H    PHE   3           H        PHE   3 -15.458   7.129  -0.341
   18    HA   PHE   3           HA       PHE   3 -16.083   5.114   0.492
   19    HB2  PHE   3           2HB      PHE   3 -14.045   4.690  -1.064
   20    HB3  PHE   3           1HB      PHE   3 -13.189   4.319   0.429
   21    HD1  PHE   3           1HD      PHE   3 -13.976   2.426   1.854
   22    HD2  PHE   3           2HD      PHE   3 -15.567   3.171  -2.020
   23    HE1  PHE   3           1HE      PHE   3 -14.884   0.141   1.790
   24    HE2  PHE   3           2HE      PHE   3 -16.477   0.889  -2.091
   25    HZ   PHE   3           HZ       PHE   3 -16.137  -0.628  -0.184
   26    H    ALA   4           H        ALA   4 -16.580   6.130   2.558
   27    HA   ALA   4           HA       ALA   4 -16.714   6.004   4.824
   28    HB1  ALA   4           1HB      ALA   4 -16.521   3.595   4.517
   29    HB2  ALA   4           2HB      ALA   4 -15.675   4.108   5.977
   30    HB3  ALA   4           3HB      ALA   4 -14.760   3.724   4.517
   31    H    GLY   5           H        GLY   5 -14.458   7.430   3.312
   32    HA2  GLY   5           2HA      GLY   5 -12.699   8.812   3.819
   33    HA3  GLY   5           1HA      GLY   5 -13.223   8.693   5.499
   34    H    ILE   6           H        ILE   6 -12.452   5.770   3.852
   35    HA   ILE   6           HA       ILE   6 -10.304   5.162   5.605
   36    HB   ILE   6           HB       ILE   6 -11.266   3.855   3.059
   37   HG12  ILE   6          2HG1      ILE   6 -11.434   3.078   5.976
   38   HG13  ILE   6          1HG1      ILE   6 -12.757   3.663   4.974
   39   HG21  ILE   6          1HG2      ILE   6  -8.872   3.434   3.247
   40   HG22  ILE   6          2HG2      ILE   6  -9.789   1.965   3.584
   41   HG23  ILE   6          3HG2      ILE   6  -9.084   2.890   4.911
   42   HD11  ILE   6          3HD1      ILE   6 -12.878   1.264   5.281
   43   HD12  ILE   6          1HD1      ILE   6 -11.259   1.081   4.603
   44   HD13  ILE   6          2HD1      ILE   6 -12.582   1.662   3.588
   45    H    LEU   7           H        LEU   7 -10.561   6.454   2.377
   46    HA   LEU   7           HA       LEU   7  -7.810   7.375   2.592
   47    HB2  LEU   7           2HB      LEU   7  -7.226   6.792   0.346
   48    HB3  LEU   7           1HB      LEU   7  -7.726   5.350   1.191
   49    HG   LEU   7           HG       LEU   7  -8.552   5.121  -0.985
   50   HD11  LEU   7          1HD1      LEU   7 -10.880   6.157   0.604
   51   HD12  LEU   7          2HD1      LEU   7 -10.224   4.520   0.659
   52   HD13  LEU   7          3HD1      LEU   7 -10.964   5.124  -0.823
   53   HD21  LEU   7          3HD2      LEU   7  -9.566   7.946  -0.832
   54   HD22  LEU   7          1HD2      LEU   7  -9.890   6.824  -2.153
   55   HD23  LEU   7          2HD2      LEU   7  -8.239   7.337  -1.820
   56    H    ASN   8           H        ASN   8  -7.370   9.223   1.179
   57    HA   ASN   8           HA       ASN   8  -9.804  10.837   0.862
   58    HB2  ASN   8           2HB      ASN   8  -6.896  11.546   1.208
   59    HB3  ASN   8           1HB      ASN   8  -8.071  12.727   0.636
   60   HD21  ASN   8          1HD2      ASN   8  -7.267  10.583   3.261
   61   HD22  ASN   8          2HD2      ASN   8  -8.073  11.475   4.505
   62    H    ASP   9           H        ASP   9 -10.403  11.571  -1.158
   63    HA   ASP   9           HA       ASP   9  -9.417  10.510  -3.530
   64    HB2  ASP   9           2HB      ASP   9 -10.786  13.163  -3.038
   65    HB3  ASP   9           1HB      ASP   9 -10.442  12.537  -4.642
   66    H    ALA  10           H        ALA  10  -8.490  13.343  -1.738
   67    HA   ALA  10           HA       ALA  10  -6.758  14.473  -3.674
   68    HB1  ALA  10           1HB      ALA  10  -6.012  15.887  -1.792
   69    HB2  ALA  10           2HB      ALA  10  -6.936  14.863  -0.687
   70    HB3  ALA  10           3HB      ALA  10  -7.769  15.803  -1.925
   71    H    ASP  11           H        ASP  11  -6.156  12.396  -0.822
   72    HA   ASP  11           HA       ASP  11  -3.320  12.634  -1.070
   73    HB2  ASP  11           2HB      ASP  11  -3.160  11.477   0.893
   74    HB3  ASP  11           1HB      ASP  11  -4.831  12.003   1.007
   75    H    ILE  12           H        ILE  12  -5.667  10.198  -1.866
   76    HA   ILE  12           HA       ILE  12  -3.908   8.269  -2.864
   77    HB   ILE  12           HB       ILE  12  -6.616   8.454  -2.551
   78   HG12  ILE  12          2HG1      ILE  12  -6.647   6.144  -3.563
   79   HG13  ILE  12          1HG1      ILE  12  -4.970   6.413  -4.031
   80   HG21  ILE  12          1HG2      ILE  12  -7.667   7.956  -4.707
   81   HG22  ILE  12          2HG2      ILE  12  -6.137   8.280  -5.521
   82   HG23  ILE  12          3HG2      ILE  12  -6.976   9.579  -4.671
   83   HD11  ILE  12          3HD1      ILE  12  -6.059   6.404  -1.234
   84   HD12  ILE  12          1HD1      ILE  12  -4.388   6.741  -1.679
   85   HD13  ILE  12          2HD1      ILE  12  -5.078   5.147  -1.986
   86    H    THR  13           H        THR  13  -5.360  11.081  -4.380
   87    HA   THR  13           HA       THR  13  -4.343  10.526  -6.991
   88    HB   THR  13           HB       THR  13  -5.537  13.001  -5.745
   89    HG1  THR  13           1HG      THR  13  -7.200  11.693  -6.000
   90   HG21  THR  13          3HG2      THR  13  -5.800  13.886  -7.992
   91   HG22  THR  13          1HG2      THR  13  -4.945  12.493  -8.658
   92   HG23  THR  13          2HG2      THR  13  -4.095  13.638  -7.620
   93    H    ALA  14           H        ALA  14  -3.270  12.387  -4.212
   94    HA   ALA  14           HA       ALA  14  -1.275  13.919  -5.444
   95    HB1  ALA  14           1HB      ALA  14  -0.342  14.198  -3.212
   96    HB2  ALA  14           2HB      ALA  14  -1.326  12.860  -2.620
   97    HB3  ALA  14           3HB      ALA  14  -2.099  14.344  -3.175
   98    H    ALA  15           H        ALA  15  -1.018  10.803  -3.741
   99    HA   ALA  15           HA       ALA  15   1.717  10.409  -4.278
  100    HB1  ALA  15           1HB      ALA  15  -0.456   8.404  -3.698
  101    HB2  ALA  15           2HB      ALA  15   0.610   9.185  -2.525
  102    HB3  ALA  15           3HB      ALA  15   1.272   8.048  -3.704
  103    H    LEU  16           H        LEU  16  -1.202   9.336  -5.985
  104    HA   LEU  16           HA       LEU  16   0.151   7.848  -7.978
  105    HB2  LEU  16           2HB      LEU  16  -2.611   9.059  -7.914
  106    HB3  LEU  16           1HB      LEU  16  -2.036   8.038  -9.213
  107    HG   LEU  16           HG       LEU  16  -2.163   7.148  -6.335
  108   HD11  LEU  16          1HD1      LEU  16  -4.144   6.739  -8.566
  109   HD12  LEU  16          2HD1      LEU  16  -4.402   7.653  -7.077
  110   HD13  LEU  16          3HD1      LEU  16  -4.175   5.902  -7.014
  111   HD21  LEU  16          3HD2      LEU  16  -1.821   5.635  -8.923
  112   HD22  LEU  16          1HD2      LEU  16  -1.995   4.907  -7.326
  113   HD23  LEU  16          2HD2      LEU  16  -0.584   5.899  -7.693
  114    H    ALA  17           H        ALA  17  -0.354  11.208  -7.561
  115    HA   ALA  17           HA       ALA  17   0.064  11.936 -10.312
  116    HB1  ALA  17           1HB      ALA  17   0.211  13.601  -7.799
  117    HB2  ALA  17           2HB      ALA  17  -1.203  13.401  -8.835
  118    HB3  ALA  17           3HB      ALA  17   0.229  14.227  -9.447
  119    H    ALA  18           H        ALA  18   2.017  11.518  -7.441
  120    HA   ALA  18           HA       ALA  18   4.383  12.673  -8.580
  121    HB1  ALA  18           1HB      ALA  18   4.003  12.674  -6.159
  122    HB2  ALA  18           2HB      ALA  18   5.504  11.847  -6.577
  123    HB3  ALA  18           3HB      ALA  18   4.072  10.911  -6.147
  124    H    CYS  19           H        CYS  19   3.005   9.458  -8.269
  125    HA   CYS  19           HA       CYS  19   5.389   8.267  -9.461
  126    HB2  CYS  19           2HB      CYS  19   4.315   6.116  -9.002
  127    HB3  CYS  19           1HB      CYS  19   4.364   7.116  -7.554
  128    HG   CYS  19           HG       CYS  19   1.665   6.289  -9.459
  129    H    LYS  20           H        LYS  20   3.526  10.075 -10.936
  130    HA   LYS  20           HA       LYS  20   2.238   8.403 -12.886
  131    HB2  LYS  20           2HB      LYS  20   1.450  10.708 -12.262
  132    HB3  LYS  20           1HB      LYS  20   2.875  11.356 -13.061
  133    HG2  LYS  20           2HG      LYS  20   2.140  10.413 -15.174
  134    HG3  LYS  20           1HG      LYS  20   0.730   9.715 -14.382
  135    HD2  LYS  20           2HD      LYS  20   0.034  11.720 -15.486
  136    HD3  LYS  20           1HD      LYS  20   0.031  12.029 -13.750
  137    HE2  LYS  20           2HE      LYS  20   0.985  13.912 -14.947
  138    HE3  LYS  20           1HE      LYS  20   2.212  13.133 -13.952
  139    HZ1  LYS  20           3HZ      LYS  20   1.865  12.644 -16.861
  140    HZ2  LYS  20           1HZ      LYS  20   3.118  12.076 -15.875
  141    HZ3  LYS  20           2HZ      LYS  20   2.985  13.728 -16.203
  142    H    ALA  21           H        ALA  21   5.382   9.425 -12.287
  143    HA   ALA  21           HA       ALA  21   6.336   9.447 -14.992
  144    HB1  ALA  21           1HB      ALA  21   8.575   9.466 -13.941
  145    HB2  ALA  21           2HB      ALA  21   7.807   9.269 -12.366
  146    HB3  ALA  21           3HB      ALA  21   7.513  10.726 -13.312
  147    H    GLU  22           H        GLU  22   6.839   7.762 -16.195
  148    HA   GLU  22           HA       GLU  22   6.114   5.163 -15.507
  149    HB2  GLU  22           2HB      GLU  22   7.957   6.112 -17.703
  150    HB3  GLU  22           1HB      GLU  22   7.264   4.500 -17.601
  151    HG2  GLU  22           2HG      GLU  22   5.039   5.399 -17.852
  152    HG3  GLU  22           1HG      GLU  22   5.674   7.043 -17.838
  153    H    GLY  23           H        GLY  23   7.037   3.932 -14.034
  154    HA2  GLY  23           2HA      GLY  23   8.736   2.391 -13.457
  155    HA3  GLY  23           1HA      GLY  23   9.903   3.387 -14.312
  156    H    SER  24           H        SER  24   8.093   5.458 -12.521
  157    HA   SER  24           HA       SER  24  10.036   5.353 -10.308
  158    HB2  SER  24           2HB      SER  24   8.579   7.760 -11.424
  159    HB3  SER  24           1HB      SER  24   9.773   7.782 -10.126
  160    HG   SER  24           HG       SER  24  10.655   6.526 -12.397
  161    H    PHE  25           H        PHE  25   8.594   3.868  -9.216
  162    HA   PHE  25           HA       PHE  25   6.254   5.217  -8.042
  163    HB2  PHE  25           2HB      PHE  25   5.862   3.106  -9.439
  164    HB3  PHE  25           1HB      PHE  25   6.680   2.231  -8.147
  165    HD1  PHE  25           2HD      PHE  25   5.663   2.111  -5.899
  166    HD2  PHE  25           1HD      PHE  25   3.631   3.875  -9.193
  167    HE1  PHE  25           2HE      PHE  25   3.536   1.950  -4.672
  168    HE2  PHE  25           1HE      PHE  25   1.503   3.718  -7.970
  169    HZ   PHE  25           HZ       PHE  25   1.454   2.753  -5.708
  170    H    ASP  26           H        ASP  26   6.813   5.976  -6.096
  171    HA   ASP  26           HA       ASP  26   8.817   4.628  -4.508
  172    HB2  ASP  26           2HB      ASP  26   8.321   6.491  -2.859
  173    HB3  ASP  26           1HB      ASP  26   8.954   6.993  -4.418
  174    H    HIS  27           H        HIS  27   7.778   2.645  -4.196
  175    HA   HIS  27           HA       HIS  27   5.172   2.237  -3.410
  176    HB2  HIS  27           2HB      HIS  27   5.828  -0.021  -2.737
  177    HB3  HIS  27           1HB      HIS  27   6.578   0.436  -4.251
  178    HD1  HIS  27           1HD      HIS  27   9.139   0.576  -4.331
  179    HD2  HIS  27           2HD      HIS  27   7.614  -0.370  -0.579
  180    HE1  HIS  27           1HE      HIS  27  11.106  -0.208  -2.978
  181    HE2  HIS  27           2HE      HIS  27  10.134  -0.916  -0.762
  182    H    LYS  28           H        LYS  28   7.956   2.634  -1.344
  183    HA   LYS  28           HA       LYS  28   6.545   1.929   1.035
  184    HB2  LYS  28           2HB      LYS  28   9.003   1.706   0.555
  185    HB3  LYS  28           1HB      LYS  28   9.096   3.459   0.728
  186    HG2  LYS  28           2HG      LYS  28   8.291   3.292   3.034
  187    HG3  LYS  28           1HG      LYS  28   8.220   1.536   2.875
  188    HD2  LYS  28           2HD      LYS  28  10.629   1.457   2.516
  189    HD3  LYS  28           1HD      LYS  28  10.713   3.217   2.612
  190    HE2  LYS  28           2HE      LYS  28   9.937   3.149   4.916
  191    HE3  LYS  28           1HE      LYS  28   9.776   1.397   4.829
  192    HZ1  LYS  28           3HZ      LYS  28  12.309   2.932   4.607
  193    HZ2  LYS  28           1HZ      LYS  28  12.174   1.251   4.466
  194    HZ3  LYS  28           2HZ      LYS  28  11.815   2.006   5.933
  195    H    ALA  29           H        ALA  29   7.817   4.929  -0.337
  196    HA   ALA  29           HA       ALA  29   6.754   6.667   1.581
  197    HB1  ALA  29           1HB      ALA  29   7.140   8.436  -0.018
  198    HB2  ALA  29           2HB      ALA  29   7.306   7.259  -1.318
  199    HB3  ALA  29           3HB      ALA  29   8.500   7.314  -0.022
  200    H    PHE  30           H        PHE  30   5.385   5.167  -1.263
  201    HA   PHE  30           HA       PHE  30   3.068   6.637  -1.612
  202    HB2  PHE  30           2HB      PHE  30   3.762   4.837  -3.130
  203    HB3  PHE  30           1HB      PHE  30   3.424   3.644  -1.884
  204    HD1  PHE  30           1HD      PHE  30   1.909   6.075  -4.194
  205    HD2  PHE  30           2HD      PHE  30   1.213   2.867  -1.486
  206    HE1  PHE  30           1HE      PHE  30  -0.400   5.879  -5.024
  207    HE2  PHE  30           2HE      PHE  30  -1.096   2.666  -2.309
  208    HZ   PHE  30           HZ       PHE  30  -1.905   4.174  -4.082
  209    H    PHE  31           H        PHE  31   3.535   3.791   0.484
  210    HA   PHE  31           HA       PHE  31   0.883   3.865   1.476
  211    HB2  PHE  31           2HB      PHE  31   3.352   2.536   2.579
  212    HB3  PHE  31           1HB      PHE  31   1.720   2.275   3.191
  213    HD1  PHE  31           2HD      PHE  31  -0.028   1.774   1.198
  214    HD2  PHE  31           1HD      PHE  31   4.144   0.947   1.133
  215    HE1  PHE  31           2HE      PHE  31  -0.400   0.068  -0.533
  216    HE2  PHE  31           1HE      PHE  31   3.781  -0.757  -0.602
  217    HZ   PHE  31           HZ       PHE  31   1.507  -1.200  -1.436
  218    H    THR  32           H        THR  32   3.862   5.358   2.615
  219    HA   THR  32           HA       THR  32   2.616   6.130   5.096
  220    HB   THR  32           HB       THR  32   4.937   5.644   5.231
  221    HG1  THR  32           1HG      THR  32   5.124   7.209   6.607
  222   HG21  THR  32          3HG2      THR  32   5.301   7.709   3.073
  223   HG22  THR  32          1HG2      THR  32   5.701   5.990   3.007
  224   HG23  THR  32          2HG2      THR  32   6.628   7.074   4.048
  225    H    LYS  33           H        LYS  33   3.021   7.552   1.952
  226    HA   LYS  33           HA       LYS  33   2.249  10.203   2.839
  227    HB2  LYS  33           2HB      LYS  33   2.558  10.876   0.590
  228    HB3  LYS  33           1HB      LYS  33   3.805   9.674   0.874
  229    HG2  LYS  33           2HG      LYS  33   1.985   8.059  -0.122
  230    HG3  LYS  33           1HG      LYS  33   1.383   9.551  -0.834
  231    HD2  LYS  33           2HD      LYS  33   4.140   8.373  -1.165
  232    HD3  LYS  33           1HD      LYS  33   2.874   8.448  -2.386
  233    HE2  LYS  33           2HE      LYS  33   2.997  10.918  -2.295
  234    HE3  LYS  33           1HE      LYS  33   4.344  10.773  -1.164
  235    HZ1  LYS  33           3HZ      LYS  33   5.289  11.059  -3.290
  236    HZ2  LYS  33           1HZ      LYS  33   4.262   9.916  -3.997
  237    HZ3  LYS  33           2HZ      LYS  33   5.476   9.408  -2.936
  238    H    VAL  34           H        VAL  34   0.793   7.310   1.780
  239    HA   VAL  34           HA       VAL  34  -1.752   8.528   1.085
  240    HB   VAL  34           HB       VAL  34  -0.374   6.219   0.321
  241   HG11  VAL  34          1HG1      VAL  34  -2.841   5.422   1.841
  242   HG12  VAL  34          2HG1      VAL  34  -1.176   4.967   2.207
  243   HG13  VAL  34          3HG1      VAL  34  -1.946   4.385   0.730
  244   HG21  VAL  34          3HG2      VAL  34  -1.752   7.491  -1.143
  245   HG22  VAL  34          1HG2      VAL  34  -3.196   7.072  -0.222
  246   HG23  VAL  34          2HG2      VAL  34  -2.334   5.825  -1.125
  247    H    GLY  35           H        GLY  35  -0.176   7.215   3.819
  248    HA2  GLY  35           2HA      GLY  35  -0.956   7.485   6.019
  249    HA3  GLY  35           1HA      GLY  35  -2.590   7.650   5.395
  250    H    LEU  36           H        LEU  36  -1.021   4.999   4.019
  251    HA   LEU  36           HA       LEU  36  -2.735   3.215   5.551
  252    HB2  LEU  36           2HB      LEU  36  -2.471   3.170   3.008
  253    HB3  LEU  36           1HB      LEU  36  -0.904   2.437   3.292
  254    HG   LEU  36           HG       LEU  36  -2.093   0.610   4.561
  255   HD11  LEU  36          1HD1      LEU  36  -4.528   1.866   3.304
  256   HD12  LEU  36          2HD1      LEU  36  -4.160   1.817   5.027
  257   HD13  LEU  36          3HD1      LEU  36  -4.478   0.320   4.153
  258   HD21  LEU  36          3HD2      LEU  36  -2.785  -0.573   2.564
  259   HD22  LEU  36          1HD2      LEU  36  -1.300   0.328   2.262
  260   HD23  LEU  36          2HD2      LEU  36  -2.841   0.942   1.660
  261    H    ALA  37           H        ALA  37   0.179   4.446   6.120
  262    HA   ALA  37           HA       ALA  37   1.326   1.998   7.242
  263    HB1  ALA  37           1HB      ALA  37   2.331   4.849   7.377
  264    HB2  ALA  37           2HB      ALA  37   2.800   3.662   6.160
  265    HB3  ALA  37           3HB      ALA  37   3.216   3.398   7.854
  266    H    ALA  38           H        ALA  38  -0.831   4.468   8.061
  267    HA   ALA  38           HA       ALA  38  -0.576   3.866  10.935
  268    HB1  ALA  38           1HB      ALA  38  -1.296   6.151  11.426
  269    HB2  ALA  38           2HB      ALA  38  -1.360   6.508   9.700
  270    HB3  ALA  38           3HB      ALA  38   0.186   6.148  10.469
  271    H    LYS  39           H        LYS  39  -2.184   2.577   8.916
  272    HA   LYS  39           HA       LYS  39  -4.917   3.403   9.323
  273    HB2  LYS  39           2HB      LYS  39  -5.280   1.131   8.070
  274    HB3  LYS  39           1HB      LYS  39  -4.654   2.527   7.211
  275    HG2  LYS  39           2HG      LYS  39  -3.483   0.431   6.659
  276    HG3  LYS  39           1HG      LYS  39  -2.424   1.683   7.296
  277    HD2  LYS  39           2HD      LYS  39  -2.810   0.490   9.575
  278    HD3  LYS  39           1HD      LYS  39  -3.324  -0.872   8.574
  279    HE2  LYS  39           2HE      LYS  39  -1.203  -0.893   7.432
  280    HE3  LYS  39           1HE      LYS  39  -0.696   0.569   8.272
  281    HZ1  LYS  39           3HZ      LYS  39   0.287  -1.424   9.236
  282    HZ2  LYS  39           1HZ      LYS  39  -1.248  -2.050   9.560
  283    HZ3  LYS  39           2HZ      LYS  39  -0.722  -0.652  10.351
  284    H    SER  40           H        SER  40  -6.486   1.489   9.789
  285    HA   SER  40           HA       SER  40  -5.580   0.076  12.190
  286    HB2  SER  40           2HB      SER  40  -8.396   0.342  11.101
  287    HB3  SER  40           1HB      SER  40  -7.927  -0.230  12.703
  288    HG   SER  40           HG       SER  40  -7.422   2.385  11.699
  289    HA   PRO  41           HA       PRO  41  -5.009  -3.860  10.374
  290    HB2  PRO  41           2HB      PRO  41  -7.262  -4.853  12.071
  291    HB3  PRO  41           1HB      PRO  41  -5.651  -5.541  11.827
  292    HG2  PRO  41           2HG      PRO  41  -6.205  -4.175  14.036
  293    HG3  PRO  41           1HG      PRO  41  -4.635  -3.996  13.231
  294    HD2  PRO  41           2HD      PRO  41  -6.948  -2.130  13.307
  295    HD3  PRO  41           1HD      PRO  41  -5.215  -1.776  13.200
  296    H    ALA  42           H        ALA  42  -8.488  -3.214  10.807
  297    HA   ALA  42           HA       ALA  42  -9.368  -5.018   8.835
  298    HB1  ALA  42           1HB      ALA  42 -10.804  -4.172  10.613
  299    HB2  ALA  42           2HB      ALA  42 -11.515  -3.897   9.023
  300    HB3  ALA  42           3HB      ALA  42 -10.755  -2.564   9.891
  301    H    ASP  43           H        ASP  43  -8.357  -1.666   8.644
  302    HA   ASP  43           HA       ASP  43  -9.456  -1.074   6.111
  303    HB2  ASP  43           2HB      ASP  43  -7.016   0.077   7.481
  304    HB3  ASP  43           1HB      ASP  43  -7.727   0.728   6.010
  305    H    ILE  44           H        ILE  44  -6.255  -2.210   7.108
  306    HA   ILE  44           HA       ILE  44  -5.201  -2.410   4.520
  307    HB   ILE  44           HB       ILE  44  -4.321  -2.924   7.160
  308   HG12  ILE  44          2HG1      ILE  44  -2.981  -2.757   4.466
  309   HG13  ILE  44          1HG1      ILE  44  -3.179  -1.483   5.664
  310   HG21  ILE  44          1HG2      ILE  44  -3.691  -5.207   5.296
  311   HG22  ILE  44          2HG2      ILE  44  -4.651  -5.299   6.773
  312   HG23  ILE  44          3HG2      ILE  44  -2.933  -4.914   6.862
  313   HD11  ILE  44          3HD1      ILE  44  -0.906  -2.215   5.663
  314   HD12  ILE  44          1HD1      ILE  44  -1.400  -3.897   5.865
  315   HD13  ILE  44          2HD1      ILE  44  -1.665  -2.740   7.167
  316    H    LYS  45           H        LYS  45  -7.299  -4.539   6.318
  317    HA   LYS  45           HA       LYS  45  -6.780  -6.918   4.891
  318    HB2  LYS  45           2HB      LYS  45  -8.034  -6.816   7.044
  319    HB3  LYS  45           1HB      LYS  45  -9.390  -6.098   6.183
  320    HG2  LYS  45           2HG      LYS  45  -9.892  -8.390   6.415
  321    HG3  LYS  45           1HG      LYS  45  -9.410  -8.164   4.734
  322    HD2  LYS  45           2HD      LYS  45  -7.087  -8.871   5.439
  323    HD3  LYS  45           1HD      LYS  45  -7.794  -9.348   6.981
  324    HE2  LYS  45           2HE      LYS  45  -8.530 -10.424   4.262
  325    HE3  LYS  45           1HE      LYS  45  -7.601 -11.263   5.500
  326    HZ1  LYS  45           3HZ      LYS  45  -9.881 -12.003   5.490
  327    HZ2  LYS  45           1HZ      LYS  45 -10.443 -10.425   5.723
  328    HZ3  LYS  45           2HZ      LYS  45  -9.554 -11.198   6.936
  329    H    LYS  46           H        LYS  46  -9.211  -4.352   4.396
  330    HA   LYS  46           HA       LYS  46 -10.254  -5.649   2.069
  331    HB2  LYS  46           2HB      LYS  46 -11.416  -3.448   1.653
  332    HB3  LYS  46           1HB      LYS  46 -11.792  -4.239   3.168
  333    HG2  LYS  46           2HG      LYS  46 -11.604  -1.997   3.729
  334    HG3  LYS  46           1HG      LYS  46 -10.055  -2.679   4.209
  335    HD2  LYS  46           2HD      LYS  46  -9.749  -0.533   3.102
  336    HD3  LYS  46           1HD      LYS  46  -9.044  -1.832   2.143
  337    HE2  LYS  46           2HE      LYS  46 -10.255  -0.197   0.768
  338    HE3  LYS  46           1HE      LYS  46 -10.944  -1.811   0.655
  339    HZ1  LYS  46           3HZ      LYS  46 -12.696  -1.162   2.153
  340    HZ2  LYS  46           1HZ      LYS  46 -12.635  -0.083   0.854
  341    HZ3  LYS  46           2HZ      LYS  46 -12.012   0.370   2.359
  342    H    VAL  47           H        VAL  47  -7.629  -3.475   2.672
  343    HA   VAL  47           HA       VAL  47  -7.210  -2.697  -0.019
  344    HB   VAL  47           HB       VAL  47  -5.146  -2.987   2.173
  345   HG11  VAL  47          1HG1      VAL  47  -3.812  -1.450   0.833
  346   HG12  VAL  47          2HG1      VAL  47  -5.063  -1.432  -0.408
  347   HG13  VAL  47          3HG1      VAL  47  -4.178  -2.919  -0.074
  348   HG21  VAL  47          3HG2      VAL  47  -5.429  -0.553   2.439
  349   HG22  VAL  47          1HG2      VAL  47  -6.900  -1.446   2.824
  350   HG23  VAL  47          2HG2      VAL  47  -6.761  -0.599   1.283
  351    H    PHE  48           H        PHE  48  -6.246  -5.451   1.915
  352    HA   PHE  48           HA       PHE  48  -4.577  -6.757   0.113
  353    HB2  PHE  48           2HB      PHE  48  -6.485  -7.848   2.171
  354    HB3  PHE  48           1HB      PHE  48  -5.392  -8.868   1.247
  355    HD1  PHE  48           2HD      PHE  48  -3.201  -6.518   1.356
  356    HD2  PHE  48           1HD      PHE  48  -5.472  -8.695   4.222
  357    HE1  PHE  48           2HE      PHE  48  -1.438  -6.154   3.028
  358    HE2  PHE  48           1HE      PHE  48  -3.712  -8.332   5.898
  359    HZ   PHE  48           HZ       PHE  48  -1.690  -7.063   5.300
  360    H    GLU  49           H        GLU  49  -8.103  -6.713   0.350
  361    HA   GLU  49           HA       GLU  49  -8.385  -8.571  -1.816
  362    HB2  GLU  49           2HB      GLU  49 -10.662  -8.480  -1.486
  363    HB3  GLU  49           1HB      GLU  49 -10.068  -8.050   0.108
  364    HG2  GLU  49           2HG      GLU  49 -10.541  -5.746  -0.258
  365    HG3  GLU  49           1HG      GLU  49 -10.934  -6.044  -1.951
  366    H    ILE  50           H        ILE  50  -7.712  -5.237  -1.633
  367    HA   ILE  50           HA       ILE  50  -8.878  -4.462  -4.113
  368    HB   ILE  50           HB       ILE  50  -6.523  -3.163  -2.743
  369   HG12  ILE  50          2HG1      ILE  50  -9.467  -2.488  -2.575
  370   HG13  ILE  50          1HG1      ILE  50  -8.549  -3.295  -1.306
  371   HG21  ILE  50          1HG2      ILE  50  -7.091  -2.678  -5.217
  372   HG22  ILE  50          2HG2      ILE  50  -6.861  -1.321  -4.118
  373   HG23  ILE  50          3HG2      ILE  50  -8.490  -1.826  -4.564
  374   HD11  ILE  50          3HD1      ILE  50  -8.240  -0.486  -2.312
  375   HD12  ILE  50          1HD1      ILE  50  -7.045  -1.278  -1.282
  376   HD13  ILE  50          2HD1      ILE  50  -8.690  -1.027  -0.694
  377    H    ILE  51           H        ILE  51  -5.527  -5.547  -3.285
  378    HA   ILE  51           HA       ILE  51  -4.509  -5.159  -5.909
  379    HB   ILE  51           HB       ILE  51  -2.834  -7.117  -5.250
  380   HG12  ILE  51          2HG1      ILE  51  -4.450  -7.448  -3.122
  381   HG13  ILE  51          1HG1      ILE  51  -2.716  -7.747  -3.022
  382   HG21  ILE  51          1HG2      ILE  51  -2.236  -4.792  -5.551
  383   HG22  ILE  51          2HG2      ILE  51  -1.416  -5.470  -4.143
  384   HG23  ILE  51          3HG2      ILE  51  -2.807  -4.403  -3.927
  385   HD11  ILE  51          3HD1      ILE  51  -4.263  -5.360  -2.038
  386   HD12  ILE  51          1HD1      ILE  51  -2.506  -5.349  -2.222
  387   HD13  ILE  51          2HD1      ILE  51  -3.264  -6.494  -1.124
  388    H    ASP  52           H        ASP  52  -6.525  -7.513  -4.533
  389    HA   ASP  52           HA       ASP  52  -6.426  -9.138  -6.966
  390    HB2  ASP  52           2HB      ASP  52  -6.442 -10.053  -4.482
  391    HB3  ASP  52           1HB      ASP  52  -8.160  -9.754  -4.605
  392    H    GLN  53           H        GLN  53  -7.486  -7.302  -8.148
  393    HA   GLN  53           HA       GLN  53  -9.883  -6.129  -7.333
  394    HB2  GLN  53           2HB      GLN  53 -10.174  -5.356  -9.592
  395    HB3  GLN  53           1HB      GLN  53  -8.463  -5.289  -9.200
  396    HG2  GLN  53           2HG      GLN  53  -8.043  -7.283 -10.478
  397    HG3  GLN  53           1HG      GLN  53  -9.767  -7.497 -10.773
  398   HE21  GLN  53          1HE2      GLN  53 -10.822  -6.091 -12.199
  399   HE22  GLN  53          2HE2      GLN  53  -9.946  -5.157 -13.361
  400    H    ASP  54           H        ASP  54  -9.290  -9.048  -9.135
  401    HA   ASP  54           HA       ASP  54 -12.073  -9.688  -9.531
  402    HB2  ASP  54           2HB      ASP  54 -10.630 -10.569 -11.165
  403    HB3  ASP  54           1HB      ASP  54  -9.480 -11.148  -9.968
  404    H    LYS  55           H        LYS  55  -9.808 -10.075  -7.019
  405    HA   LYS  55           HA       LYS  55  -9.792 -11.088  -5.015
  406    HB2  LYS  55           2HB      LYS  55 -11.762  -9.677  -4.739
  407    HB3  LYS  55           1HB      LYS  55 -12.790 -10.970  -5.343
  408    HG2  LYS  55           2HG      LYS  55 -12.580 -12.212  -3.412
  409    HG3  LYS  55           1HG      LYS  55 -11.055 -11.445  -2.961
  410    HD2  LYS  55           2HD      LYS  55 -12.978 -10.761  -1.539
  411    HD3  LYS  55           1HD      LYS  55 -12.189  -9.415  -2.359
  412    HE2  LYS  55           2HE      LYS  55 -13.947  -9.477  -4.088
  413    HE3  LYS  55           1HE      LYS  55 -14.748 -10.769  -3.196
  414    HZ1  LYS  55           3HZ      LYS  55 -14.194  -8.074  -2.071
  415    HZ2  LYS  55           1HZ      LYS  55 -15.132  -9.303  -1.375
  416    HZ3  LYS  55           2HZ      LYS  55 -15.667  -8.524  -2.778
  417    H    SER  56           H        SER  56  -8.911 -12.778  -6.453
  418    HA   SER  56           HA       SER  56 -10.450 -15.248  -6.624
  419    HB2  SER  56           2HB      SER  56  -7.630 -15.377  -7.359
  420    HB3  SER  56           1HB      SER  56  -9.052 -15.691  -8.353
  421    HG   SER  56           HG       SER  56  -9.178 -13.562  -8.903
  422    H    ASP  57           H        ASP  57  -8.942 -13.702  -4.259
  423    HA   ASP  57           HA       ASP  57  -7.971 -14.203  -2.279
  424    HB2  ASP  57           2HB      ASP  57  -8.401 -17.036  -3.199
  425    HB3  ASP  57           1HB      ASP  57  -7.487 -16.678  -1.737
  426    H    PHE  58           H        PHE  58  -6.794 -14.367  -5.175
  427    HA   PHE  58           HA       PHE  58  -4.038 -14.264  -4.311
  428    HB2  PHE  58           2HB      PHE  58  -4.997 -16.169  -6.463
  429    HB3  PHE  58           1HB      PHE  58  -3.318 -15.676  -6.285
  430    HD1  PHE  58           1HD      PHE  58  -2.086 -16.268  -4.195
  431    HD2  PHE  58           2HD      PHE  58  -5.920 -17.873  -5.119
  432    HE1  PHE  58           1HE      PHE  58  -1.721 -18.070  -2.562
  433    HE2  PHE  58           2HE      PHE  58  -5.560 -19.676  -3.484
  434    HZ   PHE  58           HZ       PHE  58  -3.461 -19.776  -2.205
  435    H    VAL  59           H        VAL  59  -3.041 -12.623  -5.311
  436    HA   VAL  59           HA       VAL  59  -4.671 -11.138  -7.191
  437    HB   VAL  59           HB       VAL  59  -3.583  -9.237  -6.568
  438   HG11  VAL  59          1HG1      VAL  59  -4.529 -10.186  -4.557
  439   HG12  VAL  59          2HG1      VAL  59  -3.082  -9.253  -4.189
  440   HG13  VAL  59          3HG1      VAL  59  -3.011 -11.013  -4.219
  441   HG21  VAL  59          3HG2      VAL  59  -1.320  -8.996  -5.886
  442   HG22  VAL  59          1HG2      VAL  59  -1.400  -9.900  -7.395
  443   HG23  VAL  59          2HG2      VAL  59  -1.105 -10.746  -5.871
  444    H    GLU  60           H        GLU  60  -4.363 -11.106  -9.239
  445    HA   GLU  60           HA       GLU  60  -2.001 -12.351 -10.413
  446    HB2  GLU  60           2HB      GLU  60  -4.676 -11.492 -11.515
  447    HB3  GLU  60           1HB      GLU  60  -3.357 -11.990 -12.560
  448    HG2  GLU  60           2HG      GLU  60  -4.986 -13.785 -12.141
  449    HG3  GLU  60           1HG      GLU  60  -3.361 -14.198 -11.616
  450    H    GLU  61           H        GLU  61  -0.962 -11.162 -12.327
  451    HA   GLU  61           HA       GLU  61  -0.216  -8.577 -11.389
  452    HB2  GLU  61           2HB      GLU  61   1.304 -10.124 -12.663
  453    HB3  GLU  61           1HB      GLU  61   0.393  -9.714 -14.113
  454    HG2  GLU  61           2HG      GLU  61   0.957  -7.337 -13.749
  455    HG3  GLU  61           1HG      GLU  61   1.954  -7.813 -12.379
  456    H    ASP  62           H        ASP  62  -2.262  -9.704 -14.045
  457    HA   ASP  62           HA       ASP  62  -2.773  -7.143 -15.139
  458    HB2  ASP  62           2HB      ASP  62  -4.620  -8.170 -16.320
  459    HB3  ASP  62           1HB      ASP  62  -3.253  -9.277 -16.331
  460    H    GLU  63           H        GLU  63  -4.077  -8.895 -12.448
  461    HA   GLU  63           HA       GLU  63  -6.301  -7.184 -11.950
  462    HB2  GLU  63           2HB      GLU  63  -4.741  -9.068 -10.191
  463    HB3  GLU  63           1HB      GLU  63  -6.118  -8.143  -9.610
  464    HG2  GLU  63           2HG      GLU  63  -7.573  -9.257 -11.177
  465    HG3  GLU  63           1HG      GLU  63  -6.200 -10.125 -11.870
  466    H    LEU  64           H        LEU  64  -2.979  -7.365 -10.745
  467    HA   LEU  64           HA       LEU  64  -3.236  -5.223  -8.935
  468    HB2  LEU  64           2HB      LEU  64  -1.387  -7.100  -9.256
  469    HB3  LEU  64           1HB      LEU  64  -0.589  -5.794 -10.117
  470    HG   LEU  64           HG       LEU  64  -1.670  -4.904  -7.578
  471   HD11  LEU  64          1HD1      LEU  64   0.359  -7.121  -7.547
  472   HD12  LEU  64          2HD1      LEU  64  -1.283  -7.188  -6.909
  473   HD13  LEU  64          3HD1      LEU  64  -0.093  -6.120  -6.167
  474   HD21  LEU  64          3HD2      LEU  64  -0.087  -3.570  -8.759
  475   HD22  LEU  64          1HD2      LEU  64   1.062  -4.907  -8.845
  476   HD23  LEU  64          2HD2      LEU  64   0.698  -4.159  -7.291
  477    H    LYS  65           H        LYS  65  -2.796  -5.372 -12.333
  478    HA   LYS  65           HA       LYS  65  -1.746  -2.809 -12.794
  479    HB2  LYS  65           2HB      LYS  65  -3.013  -4.896 -14.352
  480    HB3  LYS  65           1HB      LYS  65  -3.579  -3.311 -14.858
  481    HG2  LYS  65           2HG      LYS  65  -1.684  -4.021 -16.185
  482    HG3  LYS  65           1HG      LYS  65  -1.268  -2.603 -15.222
  483    HD2  LYS  65           2HD      LYS  65  -0.032  -3.913 -13.676
  484    HD3  LYS  65           1HD      LYS  65  -0.640  -5.423 -14.367
  485    HE2  LYS  65           2HE      LYS  65   0.486  -4.730 -16.517
  486    HE3  LYS  65           1HE      LYS  65   1.276  -3.453 -15.596
  487    HZ1  LYS  65           3HZ      LYS  65   2.127  -5.268 -14.119
  488    HZ2  LYS  65           1HZ      LYS  65   2.752  -5.277 -15.689
  489    HZ3  LYS  65           2HZ      LYS  65   1.552  -6.384 -15.253
  490    H    LEU  66           H        LEU  66  -5.104  -3.949 -12.639
  491    HA   LEU  66           HA       LEU  66  -5.969  -1.156 -12.671
  492    HB2  LEU  66           2HB      LEU  66  -7.638  -3.626 -13.090
  493    HB3  LEU  66           1HB      LEU  66  -8.124  -1.962 -13.374
  494    HG   LEU  66           HG       LEU  66  -6.062  -3.534 -14.916
  495   HD11  LEU  66          1HD1      LEU  66  -7.564  -3.181 -16.797
  496   HD12  LEU  66          2HD1      LEU  66  -8.702  -2.344 -15.741
  497   HD13  LEU  66          3HD1      LEU  66  -8.362  -4.058 -15.493
  498   HD21  LEU  66          3HD2      LEU  66  -5.343  -1.196 -14.577
  499   HD22  LEU  66          1HD2      LEU  66  -6.866  -0.650 -15.283
  500   HD23  LEU  66          2HD2      LEU  66  -5.719  -1.557 -16.265
  501    H    PHE  67           H        PHE  67  -5.166  -3.275 -10.392
  502    HA   PHE  67           HA       PHE  67  -7.293  -3.299  -8.565
  503    HB2  PHE  67           2HB      PHE  67  -5.803  -4.212  -7.122
  504    HB3  PHE  67           1HB      PHE  67  -4.747  -4.266  -8.521
  505    HD1  PHE  67           2HD      PHE  67  -3.013  -2.464  -8.802
  506    HD2  PHE  67           1HD      PHE  67  -5.273  -2.911  -5.232
  507    HE1  PHE  67           2HE      PHE  67  -1.350  -1.125  -7.585
  508    HE2  PHE  67           1HE      PHE  67  -3.619  -1.570  -4.008
  509    HZ   PHE  67           HZ       PHE  67  -1.651  -0.674  -5.183
  510    H    LEU  68           H        LEU  68  -5.102  -0.841  -9.579
  511    HA   LEU  68           HA       LEU  68  -5.379   1.028  -7.512
  512    HB2  LEU  68           2HB      LEU  68  -4.980   1.573 -10.452
  513    HB3  LEU  68           1HB      LEU  68  -4.570   2.646  -9.126
  514    HG   LEU  68           HG       LEU  68  -3.288  -0.016  -9.071
  515   HD11  LEU  68          1HD1      LEU  68  -1.615   0.606 -10.717
  516   HD12  LEU  68          2HD1      LEU  68  -2.498   2.090 -11.076
  517   HD13  LEU  68          3HD1      LEU  68  -3.216   0.519 -11.459
  518   HD21  LEU  68          3HD2      LEU  68  -2.302   2.807  -8.648
  519   HD22  LEU  68          1HD2      LEU  68  -1.375   1.333  -8.353
  520   HD23  LEU  68          2HD2      LEU  68  -2.810   1.682  -7.388
  521    H    GLN  69           H        GLN  69  -7.195   0.551 -10.508
  522    HA   GLN  69           HA       GLN  69  -9.016   2.693  -9.993
  523    HB2  GLN  69           2HB      GLN  69  -9.342   0.323 -11.844
  524    HB3  GLN  69           1HB      GLN  69 -10.304   1.794 -11.868
  525    HG2  GLN  69           2HG      GLN  69  -8.211   3.057 -12.377
  526    HG3  GLN  69           1HG      GLN  69  -7.390   1.504 -12.546
  527   HE21  GLN  69          1HE2      GLN  69  -7.962   0.145 -14.262
  528   HE22  GLN  69          2HE2      GLN  69  -8.769   0.748 -15.667
  529    H    ASN  70           H        ASN  70  -8.622  -0.441  -8.831
  530    HA   ASN  70           HA       ASN  70 -11.388  -0.901  -8.116
  531    HB2  ASN  70           2HB      ASN  70  -9.842  -2.783  -8.561
  532    HB3  ASN  70           1HB      ASN  70  -8.852  -2.289  -7.196
  533   HD21  ASN  70          1HD2      ASN  70  -9.117  -4.306  -6.231
  534   HD22  ASN  70          2HD2      ASN  70 -10.599  -4.758  -5.460
  535    H    PHE  71           H        PHE  71  -8.572   0.585  -6.799
  536    HA   PHE  71           HA       PHE  71  -9.716   0.917  -4.149
  537    HB2  PHE  71           2HB      PHE  71  -7.224   0.539  -4.683
  538    HB3  PHE  71           1HB      PHE  71  -7.207   2.206  -5.230
  539    HD1  PHE  71           2HD      PHE  71  -9.471   2.076  -2.577
  540    HD2  PHE  71           1HD      PHE  71  -5.297   1.954  -3.400
  541    HE1  PHE  71           2HE      PHE  71  -9.000   2.798  -0.278
  542    HE2  PHE  71           1HE      PHE  71  -4.819   2.677  -1.099
  543    HZ   PHE  71           HZ       PHE  71  -6.672   3.101   0.466
  544    H    SER  72           H        SER  72  -8.725   2.897  -6.918
  545    HA   SER  72           HA       SER  72 -10.836   4.815  -6.338
  546    HB2  SER  72           2HB      SER  72  -7.912   5.578  -6.553
  547    HB3  SER  72           1HB      SER  72  -9.246   6.730  -6.602
  548    HG   SER  72           HG       SER  72  -9.023   4.910  -4.467
  549    H    ALA  73           H        ALA  73 -11.789   5.474  -8.163
  550    HA   ALA  73           HA       ALA  73 -11.182   4.114 -10.562
  551    HB1  ALA  73           1HB      ALA  73 -13.455   4.702  -9.902
  552    HB2  ALA  73           2HB      ALA  73 -13.068   5.322 -11.506
  553    HB3  ALA  73           3HB      ALA  73 -13.078   6.410 -10.119
  554    H    GLY  74           H        GLY  74 -10.167   7.199  -9.375
  555    HA2  GLY  74           2HA      GLY  74  -9.403   8.078 -12.066
  556    HA3  GLY  74           1HA      GLY  74  -9.378   9.067 -10.616
  557    H    ALA  75           H        ALA  75  -7.933   5.901 -11.378
  558    HA   ALA  75           HA       ALA  75  -5.313   7.064 -10.696
  559    HB1  ALA  75           1HB      ALA  75  -6.269   4.271 -10.084
  560    HB2  ALA  75           2HB      ALA  75  -6.100   5.588  -8.919
  561    HB3  ALA  75           3HB      ALA  75  -4.673   4.930  -9.718
  562    H    ARG  76           H        ARG  76  -3.506   6.266 -11.812
  563    HA   ARG  76           HA       ARG  76  -4.108   5.166 -14.432
  564    HB2  ARG  76           2HB      ARG  76  -1.506   6.318 -13.409
  565    HB3  ARG  76           1HB      ARG  76  -1.868   5.889 -15.073
  566    HG2  ARG  76           2HG      ARG  76  -2.214   8.127 -15.196
  567    HG3  ARG  76           1HG      ARG  76  -3.833   7.620 -14.712
  568    HD2  ARG  76           2HD      ARG  76  -3.291   8.104 -12.378
  569    HD3  ARG  76           1HD      ARG  76  -1.668   8.603 -12.856
  570    HE   ARG  76           HE       ARG  76  -3.954   9.999 -14.034
  571   HH11  ARG  76          1HH1      ARG  76  -1.273  10.028 -11.771
  572   HH12  ARG  76          2HH1      ARG  76  -1.274  11.755 -11.611
  573   HH21  ARG  76          1HH2      ARG  76  -3.953  12.270 -13.803
  574   HH22  ARG  76          2HH2      ARG  76  -2.787  13.027 -12.760
  575    H    ALA  77           H        ALA  77  -3.398   3.198 -15.103
  576    HA   ALA  77           HA       ALA  77  -2.418   1.373 -13.114
  577    HB1  ALA  77           1HB      ALA  77  -2.624  -0.326 -14.826
  578    HB2  ALA  77           2HB      ALA  77  -2.860   0.916 -16.059
  579    HB3  ALA  77           3HB      ALA  77  -4.071   0.684 -14.798
  580    H    LEU  78           H        LEU  78  -0.374   0.928 -12.678
  581    HA   LEU  78           HA       LEU  78   1.763   2.008 -14.254
  582    HB2  LEU  78           2HB      LEU  78   1.873   0.055 -11.949
  583    HB3  LEU  78           1HB      LEU  78   3.253   0.867 -12.656
  584    HG   LEU  78           HG       LEU  78   2.909   2.113 -10.760
  585   HD11  LEU  78          1HD1      LEU  78   2.905   3.606 -12.681
  586   HD12  LEU  78          2HD1      LEU  78   1.924   4.249 -11.364
  587   HD13  LEU  78          3HD1      LEU  78   1.146   3.509 -12.763
  588   HD21  LEU  78          3HD2      LEU  78   0.755   2.695  -9.814
  589   HD22  LEU  78          1HD2      LEU  78   0.891   0.952 -10.042
  590   HD23  LEU  78          2HD2      LEU  78  -0.066   1.919 -11.167
  591    H    SER  79           H        SER  79   3.347   0.830 -15.387
  592    HA   SER  79           HA       SER  79   2.834  -2.009 -15.856
  593    HB2  SER  79           2HB      SER  79   2.987   0.028 -18.090
  594    HB3  SER  79           1HB      SER  79   2.916  -1.720 -18.306
  595    HG   SER  79           HG       SER  79   0.933  -0.458 -16.775
  596    H    ASP  80           H        ASP  80   4.621  -3.181 -16.483
  597    HA   ASP  80           HA       ASP  80   6.784  -3.735 -16.833
  598    HB2  ASP  80           2HB      ASP  80   7.046  -0.828 -17.590
  599    HB3  ASP  80           1HB      ASP  80   8.392  -1.961 -17.653
  600    H    ALA  81           H        ALA  81   8.600  -1.097 -16.094
  601    HA   ALA  81           HA       ALA  81   9.764  -2.524 -13.984
  602    HB1  ALA  81           1HB      ALA  81  11.014  -1.017 -15.453
  603    HB2  ALA  81           2HB      ALA  81  11.269  -0.629 -13.751
  604    HB3  ALA  81           3HB      ALA  81  10.191   0.365 -14.729
  605    H    GLU  82           H        GLU  82   7.375  -0.013 -13.971
  606    HA   GLU  82           HA       GLU  82   7.754   0.780 -11.256
  607    HB2  GLU  82           2HB      GLU  82   5.262   1.652 -11.761
  608    HB3  GLU  82           1HB      GLU  82   6.705   2.507 -12.286
  609    HG2  GLU  82           2HG      GLU  82   6.531   1.411 -14.474
  610    HG3  GLU  82           1HG      GLU  82   5.055   0.612 -13.944
  611    H    THR  83           H        THR  83   5.542  -1.397 -12.949
  612    HA   THR  83           HA       THR  83   4.229  -2.245 -10.556
  613    HB   THR  83           HB       THR  83   4.427  -3.974 -12.999
  614    HG1  THR  83           1HG      THR  83   2.466  -1.966 -12.880
  615   HG21  THR  83          3HG2      THR  83   2.183  -3.342 -11.081
  616   HG22  THR  83          1HG2      THR  83   3.170  -4.803 -11.077
  617   HG23  THR  83          2HG2      THR  83   2.092  -4.472 -12.432
  618    H    LYS  84           H        LYS  84   6.993  -3.300 -12.454
  619    HA   LYS  84           HA       LYS  84   7.478  -5.793 -11.337
  620    HB2  LYS  84           2HB      LYS  84   8.635  -4.749 -13.314
  621    HB3  LYS  84           1HB      LYS  84   9.585  -3.800 -12.181
  622    HG2  LYS  84           2HG      LYS  84  10.942  -5.610 -12.793
  623    HG3  LYS  84           1HG      LYS  84  10.339  -5.997 -11.181
  624    HD2  LYS  84           2HD      LYS  84   8.605  -7.417 -12.188
  625    HD3  LYS  84           1HD      LYS  84   9.242  -7.045 -13.790
  626    HE2  LYS  84           2HE      LYS  84  11.396  -8.042 -13.136
  627    HE3  LYS  84           1HE      LYS  84  10.710  -8.459 -11.566
  628    HZ1  LYS  84           3HZ      LYS  84   9.765  -9.459 -14.196
  629    HZ2  LYS  84           1HZ      LYS  84   9.088  -9.851 -12.697
  630    HZ3  LYS  84           2HZ      LYS  84  10.663 -10.339 -13.067
  631    H    VAL  85           H        VAL  85   9.013  -2.710 -10.407
  632    HA   VAL  85           HA       VAL  85  10.353  -3.788  -8.161
  633    HB   VAL  85           HB       VAL  85   9.645  -0.899  -8.717
  634   HG11  VAL  85          1HG1      VAL  85  11.518  -0.357  -7.250
  635   HG12  VAL  85          2HG1      VAL  85  11.772  -2.071  -6.926
  636   HG13  VAL  85          3HG1      VAL  85  10.289  -1.282  -6.388
  637   HG21  VAL  85          3HG2      VAL  85  10.901  -1.897 -10.550
  638   HG22  VAL  85          1HG2      VAL  85  12.122  -2.471  -9.416
  639   HG23  VAL  85          2HG2      VAL  85  11.896  -0.741  -9.666
  640    H    PHE  86           H        PHE  86   7.275  -2.091  -8.525
  641    HA   PHE  86           HA       PHE  86   6.754  -1.799  -5.764
  642    HB2  PHE  86           2HB      PHE  86   5.571  -0.393  -7.253
  643    HB3  PHE  86           1HB      PHE  86   4.987  -1.748  -8.205
  644    HD1  PHE  86           1HD      PHE  86   4.876  -0.645  -4.634
  645    HD2  PHE  86           2HD      PHE  86   2.746  -2.194  -7.975
  646    HE1  PHE  86           1HE      PHE  86   2.805  -0.638  -3.309
  647    HE2  PHE  86           2HE      PHE  86   0.669  -2.189  -6.653
  648    HZ   PHE  86           HZ       PHE  86   0.697  -1.411  -4.318
  649    H    LEU  87           H        LEU  87   5.944  -4.360  -8.081
  650    HA   LEU  87           HA       LEU  87   4.443  -5.949  -6.300
  651    HB2  LEU  87           2HB      LEU  87   6.102  -6.661  -8.710
  652    HB3  LEU  87           1HB      LEU  87   5.209  -7.861  -7.799
  653    HG   LEU  87           HG       LEU  87   3.942  -5.483  -9.159
  654   HD11  LEU  87          1HD1      LEU  87   3.166  -7.095 -10.830
  655   HD12  LEU  87          2HD1      LEU  87   4.131  -8.352 -10.059
  656   HD13  LEU  87          3HD1      LEU  87   4.924  -6.968 -10.811
  657   HD21  LEU  87          3HD2      LEU  87   2.801  -7.934  -7.829
  658   HD22  LEU  87          1HD2      LEU  87   1.870  -6.832  -8.842
  659   HD23  LEU  87          2HD2      LEU  87   2.589  -6.253  -7.342
  660    H    LYS  88           H        LYS  88   7.899  -5.919  -7.097
  661    HA   LYS  88           HA       LYS  88   8.577  -8.109  -5.456
  662    HB2  LYS  88           2HB      LYS  88  10.226  -5.899  -6.660
  663    HB3  LYS  88           1HB      LYS  88  10.931  -7.194  -5.693
  664    HG2  LYS  88           2HG      LYS  88   9.227  -7.737  -8.098
  665    HG3  LYS  88           1HG      LYS  88  10.979  -7.522  -8.186
  666    HD2  LYS  88           2HD      LYS  88  11.328  -9.357  -6.673
  667    HD3  LYS  88           1HD      LYS  88   9.593  -9.529  -6.416
  668    HE2  LYS  88           2HE      LYS  88  10.855  -9.816  -9.128
  669    HE3  LYS  88           1HE      LYS  88  10.672 -11.174  -8.021
  670    HZ1  LYS  88           3HZ      LYS  88   8.841 -11.004  -9.619
  671    HZ2  LYS  88           1HZ      LYS  88   8.448  -9.479  -9.011
  672    HZ3  LYS  88           2HZ      LYS  88   8.293 -10.846  -8.022
  673    H    ALA  89           H        ALA  89   7.908  -4.846  -4.673
  674    HA   ALA  89           HA       ALA  89   9.298  -4.569  -2.259
  675    HB1  ALA  89           1HB      ALA  89   7.567  -2.969  -1.627
  676    HB2  ALA  89           2HB      ALA  89   6.540  -3.551  -2.937
  677    HB3  ALA  89           3HB      ALA  89   8.059  -2.733  -3.304
  678    H    GLY  90           H        GLY  90   6.364  -6.270  -3.094
  679    HA2  GLY  90           2HA      GLY  90   6.171  -7.280  -0.330
  680    HA3  GLY  90           1HA      GLY  90   4.863  -7.300  -1.507
  681    H    ASP  91           H        ASP  91   5.864  -8.368  -3.692
  682    HA   ASP  91           HA       ASP  91   5.927 -11.137  -3.220
  683    HB2  ASP  91           2HB      ASP  91   5.235 -10.162  -5.354
  684    HB3  ASP  91           1HB      ASP  91   6.880  -9.593  -5.640
  685    H    SER  92           H        SER  92   7.562 -11.970  -1.986
  686    HA   SER  92           HA       SER  92  10.285 -11.007  -2.457
  687    HB2  SER  92           2HB      SER  92   9.345 -11.071  -0.134
  688    HB3  SER  92           1HB      SER  92   9.280 -12.827  -0.261
  689    HG   SER  92           HG       SER  92  11.441 -12.937  -0.219
  690    H    ASP  93           H        ASP  93   8.245 -13.716  -3.004
  691    HA   ASP  93           HA       ASP  93  10.448 -15.575  -3.308
  692    HB2  ASP  93           2HB      ASP  93   8.780 -17.274  -3.681
  693    HB3  ASP  93           1HB      ASP  93   8.301 -16.295  -2.301
  694    H    GLY  94           H        GLY  94   8.875 -13.353  -5.303
  695    HA2  GLY  94           2HA      GLY  94   9.614 -12.721  -7.403
  696    HA3  GLY  94           1HA      GLY  94  10.608 -14.162  -7.460
  697    H    ASP  95           H        ASP  95   7.089 -13.562  -7.267
  698    HA   ASP  95           HA       ASP  95   6.782 -15.473  -9.491
  699    HB2  ASP  95           2HB      ASP  95   4.389 -15.661  -8.663
  700    HB3  ASP  95           1HB      ASP  95   5.624 -16.325  -7.600
  701    H    GLY  96           H        GLY  96   6.221 -12.212  -8.497
  702    HA2  GLY  96           2HA      GLY  96   5.822 -10.449 -10.022
  703    HA3  GLY  96           1HA      GLY  96   5.203 -11.616 -11.179
  704    H    LYS  97           H        LYS  97   4.121 -11.742  -7.909
  705    HA   LYS  97           HA       LYS  97   1.652 -10.229  -8.513
  706    HB2  LYS  97           2HB      LYS  97   0.272 -11.971  -7.853
  707    HB3  LYS  97           1HB      LYS  97   1.551 -12.873  -8.652
  708    HG2  LYS  97           2HG      LYS  97   2.593 -12.945  -6.224
  709    HG3  LYS  97           1HG      LYS  97   0.914 -12.642  -5.751
  710    HD2  LYS  97           2HD      LYS  97   1.799 -14.898  -7.547
  711    HD3  LYS  97           1HD      LYS  97   1.468 -15.054  -5.824
  712    HE2  LYS  97           2HE      LYS  97  -0.842 -14.404  -6.182
  713    HE3  LYS  97           1HE      LYS  97  -0.523 -14.139  -7.896
  714    HZ1  LYS  97           3HZ      LYS  97  -0.346 -16.741  -6.476
  715    HZ2  LYS  97           1HZ      LYS  97   0.002 -16.494  -8.111
  716    HZ3  LYS  97           2HZ      LYS  97  -1.572 -16.272  -7.543
  717    H    ILE  98           H        ILE  98   0.431  -9.928  -6.335
  718    HA   ILE  98           HA       ILE  98   2.452  -9.571  -4.227
  719    HB   ILE  98           HB       ILE  98  -0.110  -8.110  -4.759
  720   HG12  ILE  98          2HG1      ILE  98   1.854  -7.199  -5.821
  721   HG13  ILE  98          1HG1      ILE  98   1.378  -6.138  -4.499
  722   HG21  ILE  98          1HG2      ILE  98  -0.006  -7.059  -2.629
  723   HG22  ILE  98          2HG2      ILE  98   1.473  -7.927  -2.220
  724   HG23  ILE  98          3HG2      ILE  98  -0.048  -8.804  -2.388
  725   HD11  ILE  98          3HD1      ILE  98   3.735  -6.340  -4.444
  726   HD12  ILE  98          1HD1      ILE  98   3.653  -8.098  -4.555
  727   HD13  ILE  98          2HD1      ILE  98   3.101  -7.280  -3.094
  728    H    GLY  99           H        GLY  99   2.438 -11.401  -3.057
  729    HA2  GLY  99           2HA      GLY  99   0.157 -12.825  -2.278
  730    HA3  GLY  99           1HA      GLY  99   1.648 -12.712  -1.337
  731    H    VAL 100           H        VAL 100  -1.354 -12.444  -0.730
  732    HA   VAL 100           HA       VAL 100  -1.930  -9.808  -0.059
  733    HB   VAL 100           HB       VAL 100  -2.895 -12.450   0.948
  734   HG11  VAL 100          1HG1      VAL 100  -3.113 -11.055   2.883
  735   HG12  VAL 100          2HG1      VAL 100  -4.707 -11.242   2.150
  736   HG13  VAL 100          3HG1      VAL 100  -3.797  -9.750   1.917
  737   HG21  VAL 100          3HG2      VAL 100  -3.521 -11.697  -1.305
  738   HG22  VAL 100          1HG2      VAL 100  -4.227 -10.238  -0.608
  739   HG23  VAL 100          2HG2      VAL 100  -4.924 -11.815  -0.237
  740    H    ASP 101           H        ASP 101  -0.275 -12.316   1.780
  741    HA   ASP 101           HA       ASP 101   0.160 -10.704   4.097
  742    HB2  ASP 101           2HB      ASP 101   1.588 -12.494   4.848
  743    HB3  ASP 101           1HB      ASP 101   0.176 -13.207   4.070
  744    H    GLU 102           H        GLU 102   1.903 -11.347   1.123
  745    HA   GLU 102           HA       GLU 102   4.353 -10.112   1.687
  746    HB2  GLU 102           2HB      GLU 102   2.859 -10.133  -0.962
  747    HB3  GLU 102           1HB      GLU 102   4.578  -9.827  -0.743
  748    HG2  GLU 102           2HG      GLU 102   3.305 -12.426   0.059
  749    HG3  GLU 102           1HG      GLU 102   3.902 -12.124  -1.571
  750    H    PHE 103           H        PHE 103   1.268  -8.808   0.587
  751    HA   PHE 103           HA       PHE 103   2.145  -6.197  -0.008
  752    HB2  PHE 103           2HB      PHE 103  -0.067  -7.328  -0.656
  753    HB3  PHE 103           1HB      PHE 103  -0.631  -6.860   0.944
  754    HD1  PHE 103           1HD      PHE 103   0.980  -5.388  -2.074
  755    HD2  PHE 103           2HD      PHE 103  -1.674  -4.819   1.201
  756    HE1  PHE 103           1HE      PHE 103   0.389  -3.172  -2.951
  757    HE2  PHE 103           2HE      PHE 103  -2.265  -2.597   0.327
  758    HZ   PHE 103           HZ       PHE 103  -1.239  -1.772  -1.748
  759    H    GLY 104           H        GLY 104   0.480  -7.483   2.872
  760    HA2  GLY 104           2HA      GLY 104   0.386  -5.140   4.366
  761    HA3  GLY 104           1HA      GLY 104   0.496  -6.752   5.059
  762    H    ALA 105           H        ALA 105   3.021  -7.432   3.994
  763    HA   ALA 105           HA       ALA 105   4.702  -6.260   5.963
  764    HB1  ALA 105           1HB      ALA 105   4.975  -8.571   5.246
  765    HB2  ALA 105           2HB      ALA 105   6.460  -7.658   4.977
  766    HB3  ALA 105           3HB      ALA 105   5.397  -8.034   3.620
  767    H    MET 106           H        MET 106   4.251  -5.659   2.498
  768    HA   MET 106           HA       MET 106   6.649  -4.103   2.264
  769    HB2  MET 106           2HB      MET 106   6.156  -3.841   0.049
  770    HB3  MET 106           1HB      MET 106   5.151  -5.244   0.378
  771    HG2  MET 106           2HG      MET 106   3.201  -4.047   0.272
  772    HG3  MET 106           1HG      MET 106   3.979  -2.534   0.721
  773    HE1  MET 106           3HE      MET 106   2.791  -4.844  -2.068
  774    HE2  MET 106           1HE      MET 106   4.505  -5.227  -2.205
  775    HE3  MET 106           2HE      MET 106   3.693  -4.335  -3.493
  776    H    ILE 107           H        ILE 107   3.432  -3.484   3.296
  777    HA   ILE 107           HA       ILE 107   3.410  -0.656   2.812
  778    HB   ILE 107           HB       ILE 107   1.702  -2.337   4.663
  779   HG12  ILE 107          2HG1      ILE 107   1.096  -1.342   1.873
  780   HG13  ILE 107          1HG1      ILE 107   1.584  -2.989   2.263
  781   HG21  ILE 107          1HG2      ILE 107   1.204   0.428   3.582
  782   HG22  ILE 107          2HG2      ILE 107   1.705   0.052   5.229
  783   HG23  ILE 107          3HG2      ILE 107   0.135  -0.492   4.640
  784   HD11  ILE 107          3HD1      ILE 107  -0.899  -1.614   3.254
  785   HD12  ILE 107          1HD1      ILE 107  -0.417  -3.271   3.610
  786   HD13  ILE 107          2HD1      ILE 107  -0.820  -2.807   1.958
  787    H    LYS 108           H        LYS 108   3.931  -2.806   5.496
  788    HA   LYS 108           HA       LYS 108   4.529  -0.681   7.350
  789    HB2  LYS 108           2HB      LYS 108   3.385  -2.539   8.232
  790    HB3  LYS 108           1HB      LYS 108   4.479  -3.695   7.481
  791    HG2  LYS 108           2HG      LYS 108   5.432  -1.811   9.617
  792    HG3  LYS 108           1HG      LYS 108   4.597  -3.308  10.028
  793    HD2  LYS 108           2HD      LYS 108   7.130  -3.081   8.400
  794    HD3  LYS 108           1HD      LYS 108   7.026  -3.591  10.084
  795    HE2  LYS 108           2HE      LYS 108   5.734  -5.540   9.446
  796    HE3  LYS 108           1HE      LYS 108   5.716  -5.011   7.766
  797    HZ1  LYS 108           3HZ      LYS 108   8.144  -5.210   7.738
  798    HZ2  LYS 108           1HZ      LYS 108   7.383  -6.687   8.080
  799    HZ3  LYS 108           2HZ      LYS 108   8.108  -5.807   9.326
  800    H    ALA 109           H        ALA 109   6.214  -2.805   5.215
  801    HA   ALA 109           HA       ALA 109   8.352  -2.971   4.527
  802    HB1  ALA 109           1HB      ALA 109   8.753  -0.340   5.943
  803    HB2  ALA 109           2HB      ALA 109   8.194  -0.538   4.282
  804    HB3  ALA 109           3HB      ALA 109   9.819  -1.050   4.733
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1 -18.243   2.300  -1.255
    2    H2   MET   1           2HT      MET   1 -18.909   0.760  -1.077
    3    H3   MET   1           3HT      MET   1 -19.770   1.959  -1.894
    4    HA   MET   1           HA       MET   1 -18.812   0.380  -3.429
    5    HB2  MET   1           2HB      MET   1 -17.501   3.106  -3.512
    6    HB3  MET   1           1HB      MET   1 -17.576   1.986  -4.863
    7    HG2  MET   1           2HG      MET   1 -20.030   2.128  -4.816
    8    HG3  MET   1           1HG      MET   1 -19.917   3.298  -3.503
    9    HE1  MET   1           2HE      MET   1 -18.752   5.699  -3.773
   10    HE2  MET   1           3HE      MET   1 -18.058   6.277  -5.286
   11    HE3  MET   1           1HE      MET   1 -17.303   4.937  -4.425
   12    H    ALA   2           H        ALA   2 -16.044   2.386  -2.408
   13    HA   ALA   2           HA       ALA   2 -14.536   0.041  -1.650
   14    HB1  ALA   2           1HB      ALA   2 -13.673   1.654  -4.049
   15    HB2  ALA   2           2HB      ALA   2 -14.290   0.002  -4.080
   16    HB3  ALA   2           3HB      ALA   2 -12.755   0.356  -3.289
   17    H    PHE   3           H        PHE   3 -15.385   2.997  -0.915
   18    HA   PHE   3           HA       PHE   3 -12.697   3.916  -0.145
   19    HB2  PHE   3           2HB      PHE   3 -15.218   5.553  -0.488
   20    HB3  PHE   3           1HB      PHE   3 -13.640   6.181  -0.033
   21    HD1  PHE   3           2HD      PHE   3 -11.704   5.543  -1.734
   22    HD2  PHE   3           1HD      PHE   3 -15.845   5.713  -2.686
   23    HE1  PHE   3           2HE      PHE   3 -11.139   5.853  -4.107
   24    HE2  PHE   3           1HE      PHE   3 -15.290   6.024  -5.062
   25    HZ   PHE   3           HZ       PHE   3 -12.934   6.096  -5.776
   26    H    ALA   4           H        ALA   4 -15.907   4.804   1.094
   27    HA   ALA   4           HA       ALA   4 -16.814   4.789   3.174
   28    HB1  ALA   4           1HB      ALA   4 -16.480   2.828   4.549
   29    HB2  ALA   4           2HB      ALA   4 -15.045   2.390   3.623
   30    HB3  ALA   4           3HB      ALA   4 -16.633   2.356   2.857
   31    H    GLY   5           H        GLY   5 -14.245   6.256   2.700
   32    HA2  GLY   5           2HA      GLY   5 -12.956   7.682   3.964
   33    HA3  GLY   5           1HA      GLY   5 -13.857   7.149   5.377
   34    H    ILE   6           H        ILE   6 -12.739   4.377   4.057
   35    HA   ILE   6           HA       ILE   6 -10.708   3.960   5.980
   36    HB   ILE   6           HB       ILE   6 -11.337   2.453   3.432
   37   HG12  ILE   6          2HG1      ILE   6 -13.121   2.419   5.121
   38   HG13  ILE   6          1HG1      ILE   6 -12.393   0.829   4.929
   39   HG21  ILE   6          1HG2      ILE   6 -10.000   0.612   4.378
   40   HG22  ILE   6          2HG2      ILE   6  -9.490   1.680   5.685
   41   HG23  ILE   6          3HG2      ILE   6  -9.028   2.040   4.023
   42   HD11  ILE   6          3HD1      ILE   6 -12.786   1.262   7.255
   43   HD12  ILE   6          1HD1      ILE   6 -11.893   2.778   7.164
   44   HD13  ILE   6          2HD1      ILE   6 -11.048   1.245   6.957
   45    H    LEU   7           H        LEU   7 -10.739   5.107   2.710
   46    HA   LEU   7           HA       LEU   7  -8.046   6.083   3.083
   47    HB2  LEU   7           2HB      LEU   7  -7.242   5.335   0.916
   48    HB3  LEU   7           1HB      LEU   7  -7.654   3.978   1.928
   49    HG   LEU   7           HG       LEU   7  -8.271   3.414  -0.278
   50   HD11  LEU   7          1HD1      LEU   7 -10.794   4.218   1.134
   51   HD12  LEU   7          2HD1      LEU   7  -9.900   2.717   1.364
   52   HD13  LEU   7          3HD1      LEU   7 -10.664   3.059  -0.188
   53   HD21  LEU   7          3HD2      LEU   7  -8.270   5.584  -1.310
   54   HD22  LEU   7          1HD2      LEU   7  -9.753   6.024  -0.463
   55   HD23  LEU   7          2HD2      LEU   7  -9.775   4.745  -1.676
   56    H    ASN   8           H        ASN   8  -7.623   7.986   1.964
   57    HA   ASN   8           HA       ASN   8 -10.036   9.299   0.968
   58    HB2  ASN   8           2HB      ASN   8  -7.294  10.436   1.565
   59    HB3  ASN   8           1HB      ASN   8  -8.705  11.372   1.091
   60   HD21  ASN   8          1HD2      ASN   8 -10.491   9.670   2.734
   61   HD22  ASN   8          2HD2      ASN   8 -10.212  10.169   4.366
   62    H    ASP   9           H        ASP   9 -10.429   9.060  -1.091
   63    HA   ASP   9           HA       ASP   9  -8.754   8.015  -3.023
   64    HB2  ASP   9           2HB      ASP   9 -10.425   8.574  -4.609
   65    HB3  ASP   9           1HB      ASP   9 -11.277   8.314  -3.094
   66    H    ALA  10           H        ALA  10  -9.309  11.352  -2.148
   67    HA   ALA  10           HA       ALA  10  -7.849  12.589  -4.204
   68    HB1  ALA  10           1HB      ALA  10  -7.773  14.531  -2.711
   69    HB2  ALA  10           2HB      ALA  10  -8.311  13.518  -1.369
   70    HB3  ALA  10           3HB      ALA  10  -9.379  13.801  -2.745
   71    H    ASP  11           H        ASP  11  -6.818  11.297  -1.068
   72    HA   ASP  11           HA       ASP  11  -4.185  12.380  -1.178
   73    HB2  ASP  11           2HB      ASP  11  -5.662  11.206   0.795
   74    HB3  ASP  11           1HB      ASP  11  -4.564   9.901   0.374
   75    H    ILE  12           H        ILE  12  -5.559   9.211  -1.818
   76    HA   ILE  12           HA       ILE  12  -3.301   7.865  -2.713
   77    HB   ILE  12           HB       ILE  12  -6.215   7.663  -3.349
   78   HG12  ILE  12          2HG1      ILE  12  -5.791   5.312  -2.454
   79   HG13  ILE  12          1HG1      ILE  12  -4.186   5.878  -2.013
   80   HG21  ILE  12          1HG2      ILE  12  -4.099   5.972  -4.677
   81   HG22  ILE  12          2HG2      ILE  12  -5.124   7.163  -5.475
   82   HG23  ILE  12          3HG2      ILE  12  -5.839   5.711  -4.774
   83   HD11  ILE  12          3HD1      ILE  12  -5.641   5.955  -0.108
   84   HD12  ILE  12          1HD1      ILE  12  -6.806   6.939  -0.994
   85   HD13  ILE  12          2HD1      ILE  12  -5.221   7.598  -0.595
   86    H    THR  13           H        THR  13  -5.646   9.743  -4.608
   87    HA   THR  13           HA       THR  13  -4.458   9.481  -7.107
   88    HB   THR  13           HB       THR  13  -6.071  11.806  -6.054
   89    HG1  THR  13           1HG      THR  13  -7.442  10.166  -5.868
   90   HG21  THR  13          3HG2      THR  13  -5.652  10.852  -8.887
   91   HG22  THR  13          1HG2      THR  13  -4.958  12.313  -8.181
   92   HG23  THR  13          2HG2      THR  13  -6.705  12.174  -8.378
   93    H    ALA  14           H        ALA  14  -3.737  11.712  -4.482
   94    HA   ALA  14           HA       ALA  14  -2.117  13.521  -5.890
   95    HB1  ALA  14           1HB      ALA  14  -2.906  14.007  -3.659
   96    HB2  ALA  14           2HB      ALA  14  -1.143  14.051  -3.685
   97    HB3  ALA  14           3HB      ALA  14  -1.981  12.657  -3.006
   98    H    ALA  15           H        ALA  15  -1.151  10.681  -3.935
   99    HA   ALA  15           HA       ALA  15   1.536  10.631  -4.673
  100    HB1  ALA  15           1HB      ALA  15   0.711   9.291  -2.860
  101    HB2  ALA  15           2HB      ALA  15   1.454   8.234  -4.065
  102    HB3  ALA  15           3HB      ALA  15  -0.305   8.358  -3.964
  103    H    LEU  16           H        LEU  16  -1.288   9.229  -6.285
  104    HA   LEU  16           HA       LEU  16   0.029   7.842  -8.327
  105    HB2  LEU  16           2HB      LEU  16  -2.664   8.979  -7.937
  106    HB3  LEU  16           1HB      LEU  16  -2.195   8.703  -9.603
  107    HG   LEU  16           HG       LEU  16  -3.447   6.815  -8.804
  108   HD11  LEU  16          1HD1      LEU  16  -1.898   5.016  -9.250
  109   HD12  LEU  16          2HD1      LEU  16  -0.529   6.080  -8.943
  110   HD13  LEU  16          3HD1      LEU  16  -1.577   6.371 -10.330
  111   HD21  LEU  16          3HD2      LEU  16  -2.741   5.458  -6.933
  112   HD22  LEU  16          1HD2      LEU  16  -3.045   7.117  -6.416
  113   HD23  LEU  16          2HD2      LEU  16  -1.387   6.548  -6.628
  114    H    ALA  17           H        ALA  17  -0.972  11.218  -8.118
  115    HA   ALA  17           HA       ALA  17  -0.194  11.950 -10.739
  116    HB1  ALA  17           1HB      ALA  17  -1.750  13.277  -9.391
  117    HB2  ALA  17           2HB      ALA  17  -0.384  14.248  -9.942
  118    HB3  ALA  17           3HB      ALA  17  -0.443  13.674  -8.275
  119    H    ALA  18           H        ALA  18   1.564  11.450  -7.807
  120    HA   ALA  18           HA       ALA  18   3.899  12.909  -8.670
  121    HB1  ALA  18           1HB      ALA  18   3.353  12.731  -6.293
  122    HB2  ALA  18           2HB      ALA  18   4.942  12.049  -6.640
  123    HB3  ALA  18           3HB      ALA  18   3.563  10.982  -6.374
  124    H    CYS  19           H        CYS  19   2.729   9.617  -8.842
  125    HA   CYS  19           HA       CYS  19   5.322   8.786  -9.961
  126    HB2  CYS  19           2HB      CYS  19   4.552   6.453  -9.453
  127    HB3  CYS  19           1HB      CYS  19   4.793   7.468  -8.036
  128    HG   CYS  19           HG       CYS  19   2.137   7.875  -7.500
  129    H    LYS  20           H        LYS  20   3.222  10.192 -11.430
  130    HA   LYS  20           HA       LYS  20   1.978   8.259 -13.149
  131    HB2  LYS  20           2HB      LYS  20   1.053  10.189 -14.260
  132    HB3  LYS  20           1HB      LYS  20   0.897  10.389 -12.528
  133    HG2  LYS  20           2HG      LYS  20   2.828  11.870 -12.521
  134    HG3  LYS  20           1HG      LYS  20   3.004  11.659 -14.263
  135    HD2  LYS  20           2HD      LYS  20   0.760  12.636 -14.575
  136    HD3  LYS  20           1HD      LYS  20   0.656  12.902 -12.831
  137    HE2  LYS  20           2HE      LYS  20   2.671  14.107 -14.725
  138    HE3  LYS  20           1HE      LYS  20   1.335  14.947 -13.940
  139    HZ1  LYS  20           3HZ      LYS  20   3.415  15.361 -12.796
  140    HZ2  LYS  20           1HZ      LYS  20   3.653  13.704 -12.560
  141    HZ3  LYS  20           2HZ      LYS  20   2.368  14.489 -11.795
  142    H    ALA  21           H        ALA  21   5.004   8.676 -12.934
  143    HA   ALA  21           HA       ALA  21   5.509   8.578 -15.804
  144    HB1  ALA  21           1HB      ALA  21   7.428  10.087 -15.631
  145    HB2  ALA  21           2HB      ALA  21   7.047  10.377 -13.934
  146    HB3  ALA  21           3HB      ALA  21   5.928  10.903 -15.191
  147    H    GLU  22           H        GLU  22   6.857   6.960 -16.303
  148    HA   GLU  22           HA       GLU  22   7.876   5.236 -14.306
  149    HB2  GLU  22           2HB      GLU  22   8.353   5.408 -17.277
  150    HB3  GLU  22           1HB      GLU  22   9.152   4.209 -16.272
  151    HG2  GLU  22           2HG      GLU  22   7.286   3.140 -17.225
  152    HG3  GLU  22           1HG      GLU  22   6.867   3.454 -15.542
  153    H    GLY  23           H        GLY  23   9.846   5.088 -13.387
  154    HA2  GLY  23           2HA      GLY  23  12.117   5.720 -13.048
  155    HA3  GLY  23           1HA      GLY  23  11.868   7.086 -14.133
  156    H    SER  24           H        SER  24   9.270   7.646 -12.804
  157    HA   SER  24           HA       SER  24  10.300   8.925 -10.363
  158    HB2  SER  24           2HB      SER  24   9.502  10.510 -12.076
  159    HB3  SER  24           1HB      SER  24   7.938   9.697 -12.112
  160    HG   SER  24           HG       SER  24   7.778  10.254  -9.834
  161    H    PHE  25           H        PHE  25   9.599   6.237 -10.352
  162    HA   PHE  25           HA       PHE  25   6.901   6.101  -9.250
  163    HB2  PHE  25           2HB      PHE  25   7.170   3.656  -9.395
  164    HB3  PHE  25           1HB      PHE  25   7.415   4.444 -10.949
  165    HD1  PHE  25           1HD      PHE  25   9.840   4.844 -11.686
  166    HD2  PHE  25           2HD      PHE  25   8.749   2.189  -8.549
  167    HE1  PHE  25           1HE      PHE  25  11.988   3.675 -11.937
  168    HE2  PHE  25           2HE      PHE  25  10.899   1.016  -8.789
  169    HZ   PHE  25           HZ       PHE  25  12.520   1.761 -10.487
  170    H    ASP  26           H        ASP  26   6.587   6.155  -7.160
  171    HA   ASP  26           HA       ASP  26   8.568   4.962  -5.387
  172    HB2  ASP  26           2HB      ASP  26   8.005   6.982  -3.793
  173    HB3  ASP  26           1HB      ASP  26   9.277   7.110  -5.000
  174    H    HIS  27           H        HIS  27   7.118   3.257  -5.265
  175    HA   HIS  27           HA       HIS  27   4.427   3.561  -4.457
  176    HB2  HIS  27           2HB      HIS  27   4.591   1.061  -3.973
  177    HB3  HIS  27           1HB      HIS  27   4.881   1.579  -5.628
  178    HD1  HIS  27           1HD      HIS  27   7.022   0.829  -6.679
  179    HD2  HIS  27           2HD      HIS  27   7.045   0.397  -2.531
  180    HE1  HIS  27           1HE      HIS  27   9.152  -0.395  -6.124
  181    HE2  HIS  27           2HE      HIS  27   9.213  -0.516  -3.610
  182    H    LYS  28           H        LYS  28   7.372   3.151  -2.638
  183    HA   LYS  28           HA       LYS  28   6.130   2.505  -0.168
  184    HB2  LYS  28           2HB      LYS  28   8.546   2.197  -0.669
  185    HB3  LYS  28           1HB      LYS  28   8.722   3.946  -0.653
  186    HG2  LYS  28           2HG      LYS  28   8.184   4.055   1.674
  187    HG3  LYS  28           1HG      LYS  28   7.759   2.342   1.703
  188    HD2  LYS  28           2HD      LYS  28  10.050   1.720   1.274
  189    HD3  LYS  28           1HD      LYS  28  10.508   3.410   1.070
  190    HE2  LYS  28           2HE      LYS  28  11.161   2.578   3.268
  191    HE3  LYS  28           1HE      LYS  28   9.955   3.854   3.401
  192    HZ1  LYS  28           3HZ      LYS  28   8.260   2.150   3.724
  193    HZ2  LYS  28           1HZ      LYS  28   9.465   2.048   4.903
  194    HZ3  LYS  28           2HZ      LYS  28   9.435   0.939   3.628
  195    H    ALA  29           H        ALA  29   7.145   5.511  -1.713
  196    HA   ALA  29           HA       ALA  29   6.371   7.302   0.282
  197    HB1  ALA  29           1HB      ALA  29   6.313   7.722  -2.702
  198    HB2  ALA  29           2HB      ALA  29   7.709   7.966  -1.651
  199    HB3  ALA  29           3HB      ALA  29   6.281   8.987  -1.473
  200    H    PHE  30           H        PHE  30   4.523   5.614  -2.167
  201    HA   PHE  30           HA       PHE  30   2.125   7.026  -2.045
  202    HB2  PHE  30           2HB      PHE  30   2.488   5.325  -3.731
  203    HB3  PHE  30           1HB      PHE  30   2.622   4.075  -2.504
  204    HD1  PHE  30           2HD      PHE  30   0.295   6.380  -4.187
  205    HD2  PHE  30           1HD      PHE  30   0.698   3.030  -1.600
  206    HE1  PHE  30           2HE      PHE  30  -2.114   5.946  -4.382
  207    HE2  PHE  30           1HE      PHE  30  -1.714   2.586  -1.792
  208    HZ   PHE  30           HZ       PHE  30  -3.125   4.047  -3.183
  209    H    PHE  31           H        PHE  31   3.110   4.166  -0.097
  210    HA   PHE  31           HA       PHE  31   0.680   4.199   1.386
  211    HB2  PHE  31           2HB      PHE  31   3.258   2.973   2.370
  212    HB3  PHE  31           1HB      PHE  31   1.620   2.559   2.829
  213    HD1  PHE  31           1HD      PHE  31   0.088   1.937   0.708
  214    HD2  PHE  31           2HD      PHE  31   4.311   1.492   0.969
  215    HE1  PHE  31           1HE      PHE  31   0.005   0.187  -1.015
  216    HE2  PHE  31           2HE      PHE  31   4.236  -0.256  -0.760
  217    HZ   PHE  31           HZ       PHE  31   2.079  -0.911  -1.752
  218    H    THR  32           H        THR  32   3.823   5.697   1.937
  219    HA   THR  32           HA       THR  32   3.155   6.389   4.647
  220    HB   THR  32           HB       THR  32   5.461   5.902   4.164
  221    HG1  THR  32           1HG      THR  32   5.992   8.497   4.599
  222   HG21  THR  32          3HG2      THR  32   5.630   6.544   1.863
  223   HG22  THR  32          1HG2      THR  32   6.823   7.461   2.783
  224   HG23  THR  32          2HG2      THR  32   5.323   8.236   2.262
  225    H    LYS  33           H        LYS  33   2.927   7.969   1.549
  226    HA   LYS  33           HA       LYS  33   2.448  10.579   2.644
  227    HB2  LYS  33           2HB      LYS  33   2.023  11.260   0.413
  228    HB3  LYS  33           1HB      LYS  33   3.293  10.059   0.311
  229    HG2  LYS  33           2HG      LYS  33   1.960   9.440  -1.422
  230    HG3  LYS  33           1HG      LYS  33   1.295   8.439  -0.134
  231    HD2  LYS  33           2HD      LYS  33  -0.508   9.457  -1.398
  232    HD3  LYS  33           1HD      LYS  33  -0.472  10.117   0.235
  233    HE2  LYS  33           2HE      LYS  33   1.119  11.622  -1.715
  234    HE3  LYS  33           1HE      LYS  33  -0.609  11.595  -2.052
  235    HZ1  LYS  33           3HZ      LYS  33   0.688  12.509   0.455
  236    HZ2  LYS  33           1HZ      LYS  33  -0.989  12.365   0.241
  237    HZ3  LYS  33           2HZ      LYS  33  -0.099  13.472  -0.686
  238    H    VAL  34           H        VAL  34   0.652   7.746   2.034
  239    HA   VAL  34           HA       VAL  34  -1.890   9.136   1.921
  240    HB   VAL  34           HB       VAL  34  -0.819   6.939   0.625
  241   HG11  VAL  34          1HG1      VAL  34  -2.975   5.972   2.480
  242   HG12  VAL  34          2HG1      VAL  34  -1.283   5.475   2.481
  243   HG13  VAL  34          3HG1      VAL  34  -2.318   5.081   1.106
  244   HG21  VAL  34          3HG2      VAL  34  -2.397   8.436  -0.323
  245   HG22  VAL  34          1HG2      VAL  34  -3.648   7.903   0.802
  246   HG23  VAL  34          2HG2      VAL  34  -3.035   6.795  -0.424
  247    H    GLY  35           H        GLY  35   0.009   7.293   4.121
  248    HA2  GLY  35           2HA      GLY  35  -0.375   7.176   6.433
  249    HA3  GLY  35           1HA      GLY  35  -2.053   7.608   6.154
  250    H    LEU  36           H        LEU  36  -0.624   5.111   4.237
  251    HA   LEU  36           HA       LEU  36  -2.587   3.249   5.258
  252    HB2  LEU  36           2HB      LEU  36  -1.782   3.643   2.791
  253    HB3  LEU  36           1HB      LEU  36  -0.528   2.502   3.230
  254    HG   LEU  36           HG       LEU  36  -2.350   0.889   3.880
  255   HD11  LEU  36          1HD1      LEU  36  -4.140   2.530   4.176
  256   HD12  LEU  36          2HD1      LEU  36  -4.586   1.296   2.999
  257   HD13  LEU  36          3HD1      LEU  36  -4.090   2.896   2.453
  258   HD21  LEU  36          3HD2      LEU  36  -1.171   0.665   1.777
  259   HD22  LEU  36          1HD2      LEU  36  -2.247   1.841   1.022
  260   HD23  LEU  36          2HD2      LEU  36  -2.878   0.283   1.555
  261    H    ALA  37           H        ALA  37   0.733   3.911   5.798
  262    HA   ALA  37           HA       ALA  37   1.470   1.208   6.513
  263    HB1  ALA  37           1HB      ALA  37   2.983   3.777   6.969
  264    HB2  ALA  37           2HB      ALA  37   3.103   2.765   5.531
  265    HB3  ALA  37           3HB      ALA  37   3.627   2.141   7.094
  266    H    ALA  38           H        ALA  38  -0.087   3.779   8.047
  267    HA   ALA  38           HA       ALA  38   0.393   2.566  10.691
  268    HB1  ALA  38           1HB      ALA  38  -0.526   5.368  10.039
  269    HB2  ALA  38           2HB      ALA  38   1.093   4.907  10.565
  270    HB3  ALA  38           3HB      ALA  38  -0.277   4.713  11.657
  271    H    LYS  39           H        LYS  39  -1.371   1.417   8.847
  272    HA   LYS  39           HA       LYS  39  -4.047   2.294   9.595
  273    HB2  LYS  39           2HB      LYS  39  -2.930   0.575   7.430
  274    HB3  LYS  39           1HB      LYS  39  -4.618   0.378   7.890
  275    HG2  LYS  39           2HG      LYS  39  -3.325   2.944   6.984
  276    HG3  LYS  39           1HG      LYS  39  -4.370   1.904   6.009
  277    HD2  LYS  39           2HD      LYS  39  -6.116   2.213   7.838
  278    HD3  LYS  39           1HD      LYS  39  -5.090   3.510   8.450
  279    HE2  LYS  39           2HE      LYS  39  -5.317   4.739   6.414
  280    HE3  LYS  39           1HE      LYS  39  -6.150   3.392   5.636
  281    HZ1  LYS  39           3HZ      LYS  39  -7.151   5.074   7.864
  282    HZ2  LYS  39           1HZ      LYS  39  -7.910   3.642   7.359
  283    HZ3  LYS  39           2HZ      LYS  39  -7.779   4.954   6.296
  284    H    SER  40           H        SER  40  -5.671   0.788  10.172
  285    HA   SER  40           HA       SER  40  -4.737  -1.146  12.122
  286    HB2  SER  40           2HB      SER  40  -7.563  -0.257  11.476
  287    HB3  SER  40           1HB      SER  40  -7.023  -1.100  12.928
  288    HG   SER  40           HG       SER  40  -5.514   1.016  12.769
  289    HA   PRO  41           HA       PRO  41  -5.320  -4.960  10.086
  290    HB2  PRO  41           2HB      PRO  41  -7.687  -5.522  11.822
  291    HB3  PRO  41           1HB      PRO  41  -6.291  -6.544  11.456
  292    HG2  PRO  41           2HG      PRO  41  -6.417  -5.283  13.773
  293    HG3  PRO  41           1HG      PRO  41  -4.884  -5.355  12.883
  294    HD2  PRO  41           2HD      PRO  41  -6.799  -3.086  13.186
  295    HD3  PRO  41           1HD      PRO  41  -5.027  -3.063  13.104
  296    H    ALA  42           H        ALA  42  -8.602  -3.674  10.773
  297    HA   ALA  42           HA       ALA  42  -9.836  -5.001   8.617
  298    HB1  ALA  42           1HB      ALA  42 -11.069  -4.115  10.539
  299    HB2  ALA  42           2HB      ALA  42 -11.733  -3.541   9.008
  300    HB3  ALA  42           3HB      ALA  42 -10.731  -2.473   9.991
  301    H    ASP  43           H        ASP  43  -8.250  -1.886   8.833
  302    HA   ASP  43           HA       ASP  43  -9.152  -0.845   6.351
  303    HB2  ASP  43           2HB      ASP  43  -6.732  -0.201   8.050
  304    HB3  ASP  43           1HB      ASP  43  -7.152   0.684   6.591
  305    H    ILE  44           H        ILE  44  -6.166  -2.394   7.406
  306    HA   ILE  44           HA       ILE  44  -4.974  -2.519   4.847
  307    HB   ILE  44           HB       ILE  44  -4.454  -3.916   7.454
  308   HG12  ILE  44          2HG1      ILE  44  -3.818  -1.582   7.350
  309   HG13  ILE  44          1HG1      ILE  44  -2.368  -2.582   7.376
  310   HG21  ILE  44          1HG2      ILE  44  -2.384  -4.834   6.504
  311   HG22  ILE  44          2HG2      ILE  44  -2.879  -4.271   4.907
  312   HG23  ILE  44          3HG2      ILE  44  -3.820  -5.511   5.736
  313   HD11  ILE  44          3HD1      ILE  44  -2.058  -0.800   5.820
  314   HD12  ILE  44          1HD1      ILE  44  -3.564  -1.194   4.992
  315   HD13  ILE  44          2HD1      ILE  44  -2.202  -2.313   4.924
  316    H    LYS  45           H        LYS  45  -7.213  -4.588   6.541
  317    HA   LYS  45           HA       LYS  45  -6.969  -6.943   5.049
  318    HB2  LYS  45           2HB      LYS  45  -8.297  -6.748   7.118
  319    HB3  LYS  45           1HB      LYS  45  -9.467  -5.747   6.269
  320    HG2  LYS  45           2HG      LYS  45 -10.354  -7.945   6.409
  321    HG3  LYS  45           1HG      LYS  45  -9.882  -7.665   4.733
  322    HD2  LYS  45           2HD      LYS  45  -7.701  -8.816   5.292
  323    HD3  LYS  45           1HD      LYS  45  -8.447  -9.294   6.815
  324    HE2  LYS  45           2HE      LYS  45  -9.428  -9.968   4.050
  325    HE3  LYS  45           1HE      LYS  45  -8.633 -11.072   5.171
  326    HZ1  LYS  45           3HZ      LYS  45 -11.225  -9.724   5.686
  327    HZ2  LYS  45           1HZ      LYS  45 -10.483 -10.882   6.666
  328    HZ3  LYS  45           2HZ      LYS  45 -11.064 -11.312   5.138
  329    H    LYS  46           H        LYS  46  -9.082  -4.121   4.506
  330    HA   LYS  46           HA       LYS  46 -10.074  -5.219   2.051
  331    HB2  LYS  46           2HB      LYS  46 -11.220  -3.103   1.751
  332    HB3  LYS  46           1HB      LYS  46 -11.418  -3.655   3.400
  333    HG2  LYS  46           2HG      LYS  46 -11.007  -1.447   3.766
  334    HG3  LYS  46           1HG      LYS  46  -9.362  -2.074   3.842
  335    HD2  LYS  46           2HD      LYS  46  -9.410  -0.068   2.485
  336    HD3  LYS  46           1HD      LYS  46  -9.052  -1.461   1.462
  337    HE2  LYS  46           2HE      LYS  46 -11.459  -1.531   0.819
  338    HE3  LYS  46           1HE      LYS  46 -11.719  -0.069   1.765
  339    HZ1  LYS  46           3HZ      LYS  46 -10.018   0.999   0.300
  340    HZ2  LYS  46           1HZ      LYS  46 -11.461   0.579  -0.475
  341    HZ3  LYS  46           2HZ      LYS  46 -10.081  -0.374  -0.682
  342    H    VAL  47           H        VAL  47  -7.304  -3.380   2.966
  343    HA   VAL  47           HA       VAL  47  -6.614  -2.454   0.377
  344    HB   VAL  47           HB       VAL  47  -4.883  -3.051   2.777
  345   HG11  VAL  47          1HG1      VAL  47  -4.123  -1.595   0.244
  346   HG12  VAL  47          2HG1      VAL  47  -3.585  -3.216   0.682
  347   HG13  VAL  47          3HG1      VAL  47  -3.104  -1.832   1.665
  348   HG21  VAL  47          3HG2      VAL  47  -5.681  -0.393   1.617
  349   HG22  VAL  47          1HG2      VAL  47  -4.947  -0.716   3.187
  350   HG23  VAL  47          2HG2      VAL  47  -6.617  -1.208   2.871
  351    H    PHE  48           H        PHE  48  -5.936  -5.394   2.184
  352    HA   PHE  48           HA       PHE  48  -4.371  -6.800   0.402
  353    HB2  PHE  48           2HB      PHE  48  -6.621  -7.791   2.152
  354    HB3  PHE  48           1HB      PHE  48  -5.521  -8.855   1.289
  355    HD1  PHE  48           1HD      PHE  48  -3.094  -6.891   1.837
  356    HD2  PHE  48           2HD      PHE  48  -6.032  -8.782   4.261
  357    HE1  PHE  48           1HE      PHE  48  -1.540  -6.869   3.735
  358    HE2  PHE  48           2HE      PHE  48  -4.482  -8.757   6.170
  359    HZ   PHE  48           HZ       PHE  48  -2.230  -7.802   5.906
  360    H    GLU  49           H        GLU  49  -7.875  -6.358   0.412
  361    HA   GLU  49           HA       GLU  49  -8.188  -8.009  -1.929
  362    HB2  GLU  49           2HB      GLU  49 -10.483  -7.733  -1.682
  363    HB3  GLU  49           1HB      GLU  49  -9.898  -7.603  -0.028
  364    HG2  GLU  49           2HG      GLU  49 -10.044  -5.186  -0.151
  365    HG3  GLU  49           1HG      GLU  49 -10.620  -5.301  -1.814
  366    H    ILE  50           H        ILE  50  -7.352  -4.718  -1.412
  367    HA   ILE  50           HA       ILE  50  -8.398  -3.649  -3.820
  368    HB   ILE  50           HB       ILE  50  -5.905  -2.713  -2.385
  369   HG12  ILE  50          2HG1      ILE  50  -8.741  -1.696  -2.150
  370   HG13  ILE  50          1HG1      ILE  50  -7.954  -2.722  -0.955
  371   HG21  ILE  50          1HG2      ILE  50  -7.720  -1.052  -4.098
  372   HG22  ILE  50          2HG2      ILE  50  -6.419  -1.993  -4.813
  373   HG23  ILE  50          3HG2      ILE  50  -6.047  -0.742  -3.627
  374   HD11  ILE  50          3HD1      ILE  50  -7.221   0.084  -1.737
  375   HD12  ILE  50          1HD1      ILE  50  -6.213  -0.943  -0.717
  376   HD13  ILE  50          2HD1      ILE  50  -7.832  -0.485  -0.182
  377    H    ILE  51           H        ILE  51  -5.147  -5.013  -3.049
  378    HA   ILE  51           HA       ILE  51  -4.181  -4.737  -5.709
  379    HB   ILE  51           HB       ILE  51  -2.613  -6.718  -5.137
  380   HG12  ILE  51          2HG1      ILE  51  -4.269  -7.192  -3.062
  381   HG13  ILE  51          1HG1      ILE  51  -2.560  -7.617  -3.015
  382   HG21  ILE  51          1HG2      ILE  51  -1.890  -4.436  -5.203
  383   HG22  ILE  51          2HG2      ILE  51  -1.157  -5.257  -3.825
  384   HG23  ILE  51          3HG2      ILE  51  -2.505  -4.149  -3.575
  385   HD11  ILE  51          3HD1      ILE  51  -3.893  -5.203  -1.794
  386   HD12  ILE  51          1HD1      ILE  51  -2.144  -5.421  -1.894
  387   HD13  ILE  51          2HD1      ILE  51  -3.118  -6.556  -0.969
  388    H    ASP  52           H        ASP  52  -5.989  -7.201  -4.038
  389    HA   ASP  52           HA       ASP  52  -6.065  -8.905  -6.359
  390    HB2  ASP  52           2HB      ASP  52  -6.190  -9.693  -3.901
  391    HB3  ASP  52           1HB      ASP  52  -7.856  -9.134  -3.940
  392    H    GLN  53           H        GLN  53  -6.925  -6.874  -7.590
  393    HA   GLN  53           HA       GLN  53  -9.392  -5.700  -6.992
  394    HB2  GLN  53           2HB      GLN  53  -9.366  -4.751  -9.182
  395    HB3  GLN  53           1HB      GLN  53  -7.697  -4.827  -8.638
  396    HG2  GLN  53           2HG      GLN  53  -7.183  -6.588 -10.079
  397    HG3  GLN  53           1HG      GLN  53  -8.879  -6.986 -10.344
  398   HE21  GLN  53          1HE2      GLN  53  -6.895  -6.515 -12.349
  399   HE22  GLN  53          2HE2      GLN  53  -7.410  -5.141 -13.260
  400    H    ASP  54           H        ASP  54  -8.605  -8.604  -8.686
  401    HA   ASP  54           HA       ASP  54 -11.274  -9.055  -9.695
  402    HB2  ASP  54           2HB      ASP  54  -8.826 -10.801  -9.591
  403    HB3  ASP  54           1HB      ASP  54 -10.359 -11.358 -10.245
  404    H    LYS  55           H        LYS  55  -9.654  -9.666  -6.752
  405    HA   LYS  55           HA       LYS  55 -10.226 -10.683  -4.810
  406    HB2  LYS  55           2HB      LYS  55 -12.312  -9.276  -5.312
  407    HB3  LYS  55           1HB      LYS  55 -13.064 -10.783  -5.814
  408    HG2  LYS  55           2HG      LYS  55 -13.717 -10.402  -3.576
  409    HG3  LYS  55           1HG      LYS  55 -12.519 -11.697  -3.537
  410    HD2  LYS  55           2HD      LYS  55 -10.790 -10.052  -2.934
  411    HD3  LYS  55           1HD      LYS  55 -12.013  -8.781  -2.938
  412    HE2  LYS  55           2HE      LYS  55 -11.672  -9.437  -0.676
  413    HE3  LYS  55           1HE      LYS  55 -13.236 -10.074  -1.179
  414    HZ1  LYS  55           3HZ      LYS  55 -10.693 -11.586  -0.942
  415    HZ2  LYS  55           1HZ      LYS  55 -12.118 -12.222  -1.590
  416    HZ3  LYS  55           2HZ      LYS  55 -12.066 -11.748   0.028
  417    H    SER  56           H        SER  56  -9.015 -12.523  -5.987
  418    HA   SER  56           HA       SER  56 -10.750 -14.899  -5.971
  419    HB2  SER  56           2HB      SER  56  -8.509 -14.767  -7.947
  420    HB3  SER  56           1HB      SER  56 -10.008 -15.689  -8.013
  421    HG   SER  56           HG       SER  56 -11.112 -13.894  -8.625
  422    H    ASP  57           H        ASP  57  -8.484 -13.475  -4.359
  423    HA   ASP  57           HA       ASP  57  -7.025 -14.163  -2.762
  424    HB2  ASP  57           2HB      ASP  57  -8.501 -16.214  -2.633
  425    HB3  ASP  57           1HB      ASP  57  -7.373 -17.003  -3.729
  426    H    PHE  58           H        PHE  58  -6.587 -14.479  -6.009
  427    HA   PHE  58           HA       PHE  58  -3.669 -14.723  -5.668
  428    HB2  PHE  58           2HB      PHE  58  -5.341 -15.324  -8.121
  429    HB3  PHE  58           1HB      PHE  58  -3.584 -15.344  -8.077
  430    HD1  PHE  58           2HD      PHE  58  -2.402 -17.084  -6.792
  431    HD2  PHE  58           1HD      PHE  58  -6.628 -17.134  -7.288
  432    HE1  PHE  58           2HE      PHE  58  -2.450 -19.452  -6.125
  433    HE2  PHE  58           1HE      PHE  58  -6.681 -19.500  -6.623
  434    HZ   PHE  58           HZ       PHE  58  -4.590 -20.662  -6.041
  435    H    VAL  59           H        VAL  59  -2.422 -13.046  -6.529
  436    HA   VAL  59           HA       VAL  59  -3.943 -10.765  -7.617
  437    HB   VAL  59           HB       VAL  59  -1.774 -10.556  -5.543
  438   HG11  VAL  59          1HG1      VAL  59  -2.071  -8.691  -7.196
  439   HG12  VAL  59          2HG1      VAL  59  -2.134  -8.299  -5.483
  440   HG13  VAL  59          3HG1      VAL  59  -3.629  -8.406  -6.412
  441   HG21  VAL  59          3HG2      VAL  59  -3.549  -9.857  -4.005
  442   HG22  VAL  59          1HG2      VAL  59  -3.731 -11.530  -4.532
  443   HG23  VAL  59          2HG2      VAL  59  -4.743 -10.269  -5.236
  444    H    GLU  60           H        GLU  60  -3.149 -11.171  -9.736
  445    HA   GLU  60           HA       GLU  60  -0.276 -11.379 -10.132
  446    HB2  GLU  60           2HB      GLU  60  -2.103 -12.713 -11.389
  447    HB3  GLU  60           1HB      GLU  60  -2.325 -11.247 -12.331
  448    HG2  GLU  60           2HG      GLU  60   0.025 -11.339 -13.013
  449    HG3  GLU  60           1HG      GLU  60   0.232 -12.815 -12.077
  450    H    GLU  61           H        GLU  61   0.562 -10.038 -12.158
  451    HA   GLU  61           HA       GLU  61   0.781  -7.407 -11.272
  452    HB2  GLU  61           2HB      GLU  61   2.452  -8.532 -12.705
  453    HB3  GLU  61           1HB      GLU  61   1.332  -8.447 -14.052
  454    HG2  GLU  61           2HG      GLU  61   1.421  -6.057 -14.073
  455    HG3  GLU  61           1HG      GLU  61   2.388  -6.036 -12.599
  456    H    ASP  62           H        ASP  62  -1.226  -8.702 -13.909
  457    HA   ASP  62           HA       ASP  62  -2.172  -6.289 -14.926
  458    HB2  ASP  62           2HB      ASP  62  -3.479  -8.998 -14.766
  459    HB3  ASP  62           1HB      ASP  62  -4.248  -7.632 -15.567
  460    H    GLU  63           H        GLU  63  -3.095  -8.038 -12.059
  461    HA   GLU  63           HA       GLU  63  -5.435  -6.533 -11.520
  462    HB2  GLU  63           2HB      GLU  63  -3.681  -8.286  -9.822
  463    HB3  GLU  63           1HB      GLU  63  -5.037  -7.390  -9.136
  464    HG2  GLU  63           2HG      GLU  63  -6.504  -8.456 -10.841
  465    HG3  GLU  63           1HG      GLU  63  -5.137  -9.473 -11.297
  466    H    LEU  64           H        LEU  64  -2.045  -6.192 -10.609
  467    HA   LEU  64           HA       LEU  64  -2.504  -3.995  -8.878
  468    HB2  LEU  64           2HB      LEU  64  -0.132  -5.292 -10.020
  469    HB3  LEU  64           1HB      LEU  64   0.044  -3.613  -9.527
  470    HG   LEU  64           HG       LEU  64  -1.134  -4.458  -7.343
  471   HD11  LEU  64          1HD1      LEU  64   0.142  -6.972  -8.383
  472   HD12  LEU  64          2HD1      LEU  64  -1.580  -6.700  -8.133
  473   HD13  LEU  64          3HD1      LEU  64  -0.483  -6.728  -6.754
  474   HD21  LEU  64          3HD2      LEU  64   1.754  -4.927  -8.018
  475   HD22  LEU  64          1HD2      LEU  64   1.088  -4.849  -6.386
  476   HD23  LEU  64          2HD2      LEU  64   1.022  -3.432  -7.434
  477    H    LYS  65           H        LYS  65  -2.313  -4.280 -12.281
  478    HA   LYS  65           HA       LYS  65  -1.662  -1.599 -12.858
  479    HB2  LYS  65           2HB      LYS  65  -2.821  -3.874 -14.329
  480    HB3  LYS  65           1HB      LYS  65  -3.333  -2.297 -14.917
  481    HG2  LYS  65           2HG      LYS  65  -1.375  -3.123 -16.124
  482    HG3  LYS  65           1HG      LYS  65  -1.003  -1.648 -15.230
  483    HD2  LYS  65           2HD      LYS  65  -0.022  -3.012 -13.437
  484    HD3  LYS  65           1HD      LYS  65  -0.338  -4.468 -14.384
  485    HE2  LYS  65           2HE      LYS  65   1.464  -2.174 -15.168
  486    HE3  LYS  65           1HE      LYS  65   1.987  -3.759 -14.607
  487    HZ1  LYS  65           3HZ      LYS  65   2.124  -3.606 -16.999
  488    HZ2  LYS  65           1HZ      LYS  65   0.484  -3.208 -17.108
  489    HZ3  LYS  65           2HZ      LYS  65   0.948  -4.739 -16.568
  490    H    LEU  66           H        LEU  66  -4.778  -3.230 -12.406
  491    HA   LEU  66           HA       LEU  66  -6.020  -0.580 -12.383
  492    HB2  LEU  66           2HB      LEU  66  -7.340  -3.259 -12.731
  493    HB3  LEU  66           1HB      LEU  66  -8.100  -1.683 -12.909
  494    HG   LEU  66           HG       LEU  66  -5.919  -2.832 -14.645
  495   HD11  LEU  66          1HD1      LEU  66  -8.769  -2.108 -15.274
  496   HD12  LEU  66          2HD1      LEU  66  -8.128  -3.741 -15.096
  497   HD13  LEU  66          3HD1      LEU  66  -7.566  -2.713 -16.415
  498   HD21  LEU  66          3HD2      LEU  66  -7.219  -0.114 -14.746
  499   HD22  LEU  66          1HD2      LEU  66  -6.111  -0.769 -15.952
  500   HD23  LEU  66          2HD2      LEU  66  -5.540  -0.456 -14.309
  501    H    PHE  67           H        PHE  67  -4.804  -2.628 -10.174
  502    HA   PHE  67           HA       PHE  67  -6.856  -2.693  -8.208
  503    HB2  PHE  67           2HB      PHE  67  -5.322  -3.729  -6.917
  504    HB3  PHE  67           1HB      PHE  67  -4.320  -3.734  -8.355
  505    HD1  PHE  67           2HD      PHE  67  -2.533  -1.986  -8.595
  506    HD2  PHE  67           1HD      PHE  67  -4.710  -2.523  -4.988
  507    HE1  PHE  67           2HE      PHE  67  -0.790  -0.771  -7.362
  508    HE2  PHE  67           1HE      PHE  67  -2.976  -1.306  -3.748
  509    HZ   PHE  67           HZ       PHE  67  -1.007  -0.428  -4.936
  510    H    LEU  68           H        LEU  68  -4.644  -0.349  -9.379
  511    HA   LEU  68           HA       LEU  68  -4.792   1.593  -7.338
  512    HB2  LEU  68           2HB      LEU  68  -4.437   2.146 -10.274
  513    HB3  LEU  68           1HB      LEU  68  -3.795   3.059  -8.921
  514    HG   LEU  68           HG       LEU  68  -2.897   0.245  -9.185
  515   HD11  LEU  68          1HD1      LEU  68  -1.184   0.893 -10.821
  516   HD12  LEU  68          2HD1      LEU  68  -1.981   2.454 -11.015
  517   HD13  LEU  68          3HD1      LEU  68  -2.819   0.971 -11.489
  518   HD21  LEU  68          3HD2      LEU  68  -0.819   1.165  -8.374
  519   HD22  LEU  68          1HD2      LEU  68  -2.147   1.728  -7.358
  520   HD23  LEU  68          2HD2      LEU  68  -1.437   2.810  -8.558
  521    H    GLN  69           H        GLN  69  -6.659   0.926 -10.227
  522    HA   GLN  69           HA       GLN  69  -8.368   3.178 -10.034
  523    HB2  GLN  69           2HB      GLN  69  -8.651   0.538 -11.462
  524    HB3  GLN  69           1HB      GLN  69  -9.834   1.833 -11.588
  525    HG2  GLN  69           2HG      GLN  69  -6.931   2.199 -12.262
  526    HG3  GLN  69           1HG      GLN  69  -8.137   1.689 -13.437
  527   HE21  GLN  69          1HE2      GLN  69  -7.856   3.516 -14.692
  528   HE22  GLN  69          2HE2      GLN  69  -8.425   5.077 -14.206
  529    H    ASN  70           H        ASN  70  -8.162   0.195  -8.381
  530    HA   ASN  70           HA       ASN  70 -10.874   0.269  -7.362
  531    HB2  ASN  70           2HB      ASN  70  -9.671  -1.881  -7.502
  532    HB3  ASN  70           1HB      ASN  70  -8.460  -1.280  -6.375
  533   HD21  ASN  70          1HD2      ASN  70 -11.680  -2.480  -6.750
  534   HD22  ASN  70          2HD2      ASN  70 -12.021  -2.689  -5.067
  535    H    PHE  71           H        PHE  71  -7.638   1.130  -6.272
  536    HA   PHE  71           HA       PHE  71  -8.289   2.092  -3.717
  537    HB2  PHE  71           2HB      PHE  71  -5.989   1.972  -5.370
  538    HB3  PHE  71           1HB      PHE  71  -6.172   3.651  -4.878
  539    HD1  PHE  71           1HD      PHE  71  -7.095   3.597  -2.199
  540    HD2  PHE  71           2HD      PHE  71  -4.382   0.940  -4.116
  541    HE1  PHE  71           1HE      PHE  71  -6.067   3.083  -0.024
  542    HE2  PHE  71           2HE      PHE  71  -3.353   0.415  -1.943
  543    HZ   PHE  71           HZ       PHE  71  -4.196   1.490   0.106
  544    H    SER  72           H        SER  72  -7.973   3.779  -6.821
  545    HA   SER  72           HA       SER  72  -9.965   5.718  -5.958
  546    HB2  SER  72           2HB      SER  72  -7.838   6.780  -5.337
  547    HB3  SER  72           1HB      SER  72  -7.220   6.520  -6.966
  548    HG   SER  72           HG       SER  72  -7.964   8.589  -6.932
  549    H    ALA  73           H        ALA  73 -11.225   6.406  -7.631
  550    HA   ALA  73           HA       ALA  73 -11.060   4.881 -10.050
  551    HB1  ALA  73           1HB      ALA  73 -12.980   7.086  -9.334
  552    HB2  ALA  73           2HB      ALA  73 -13.198   5.381  -8.945
  553    HB3  ALA  73           3HB      ALA  73 -13.167   5.905 -10.629
  554    H    GLY  74           H        GLY  74  -9.504   7.629  -9.128
  555    HA2  GLY  74           2HA      GLY  74  -9.320   8.567 -11.925
  556    HA3  GLY  74           1HA      GLY  74  -9.143   9.630 -10.535
  557    H    ALA  75           H        ALA  75  -7.794   6.414 -10.634
  558    HA   ALA  75           HA       ALA  75  -5.147   7.569 -10.226
  559    HB1  ALA  75           1HB      ALA  75  -6.124   4.726  -9.977
  560    HB2  ALA  75           2HB      ALA  75  -5.891   5.873  -8.657
  561    HB3  ALA  75           3HB      ALA  75  -4.502   5.289  -9.573
  562    H    ARG  76           H        ARG  76  -3.287   6.683 -11.346
  563    HA   ARG  76           HA       ARG  76  -3.898   5.998 -14.116
  564    HB2  ARG  76           2HB      ARG  76  -1.283   6.965 -12.953
  565    HB3  ARG  76           1HB      ARG  76  -1.658   6.769 -14.658
  566    HG2  ARG  76           2HG      ARG  76  -2.862   8.778 -12.767
  567    HG3  ARG  76           1HG      ARG  76  -1.736   9.099 -14.087
  568    HD2  ARG  76           2HD      ARG  76  -3.423   8.286 -15.689
  569    HD3  ARG  76           1HD      ARG  76  -4.545   8.034 -14.352
  570    HE   ARG  76           HE       ARG  76  -3.535  10.712 -14.486
  571   HH11  ARG  76          1HH1      ARG  76  -5.948   8.515 -15.753
  572   HH12  ARG  76          2HH1      ARG  76  -7.068   9.775 -16.155
  573   HH21  ARG  76          1HH2      ARG  76  -5.011  12.375 -15.001
  574   HH22  ARG  76          2HH2      ARG  76  -6.533  11.977 -15.726
  575    H    ALA  77           H        ALA  77  -2.983   4.178 -15.075
  576    HA   ALA  77           HA       ALA  77  -2.378   2.045 -13.264
  577    HB1  ALA  77           1HB      ALA  77  -2.279   2.075 -16.277
  578    HB2  ALA  77           2HB      ALA  77  -3.681   1.647 -15.297
  579    HB3  ALA  77           3HB      ALA  77  -2.230   0.642 -15.248
  580    H    LEU  78           H        LEU  78  -0.488   1.698 -12.411
  581    HA   LEU  78           HA       LEU  78   1.946   2.844 -13.268
  582    HB2  LEU  78           2HB      LEU  78   1.183   0.710 -11.306
  583    HB3  LEU  78           1HB      LEU  78   2.870   0.946 -11.710
  584    HG   LEU  78           HG       LEU  78   2.913   3.113 -10.752
  585   HD11  LEU  78          1HD1      LEU  78   0.805   3.973 -11.640
  586   HD12  LEU  78          2HD1      LEU  78   0.951   4.280  -9.910
  587   HD13  LEU  78          3HD1      LEU  78  -0.084   2.976 -10.488
  588   HD21  LEU  78          3HD2      LEU  78   1.207   1.328  -9.028
  589   HD22  LEU  78          1HD2      LEU  78   2.131   2.719  -8.459
  590   HD23  LEU  78          2HD2      LEU  78   2.968   1.317  -9.127
  591    H    SER  79           H        SER  79   3.831   1.713 -14.116
  592    HA   SER  79           HA       SER  79   3.233  -0.715 -15.612
  593    HB2  SER  79           2HB      SER  79   4.152   1.812 -17.003
  594    HB3  SER  79           1HB      SER  79   3.844   0.251 -17.762
  595    HG   SER  79           HG       SER  79   1.995   2.047 -16.596
  596    H    ASP  80           H        ASP  80   5.082  -1.618 -16.695
  597    HA   ASP  80           HA       ASP  80   7.223  -2.302 -16.876
  598    HB2  ASP  80           2HB      ASP  80   7.692   0.657 -16.534
  599    HB3  ASP  80           1HB      ASP  80   8.972  -0.485 -16.930
  600    H    ALA  81           H        ALA  81   9.210  -0.359 -15.283
  601    HA   ALA  81           HA       ALA  81   9.964  -2.445 -13.590
  602    HB1  ALA  81           1HB      ALA  81  11.680  -0.953 -12.767
  603    HB2  ALA  81           2HB      ALA  81  10.836   0.435 -13.454
  604    HB3  ALA  81           3HB      ALA  81  11.525  -0.793 -14.517
  605    H    GLU  82           H        GLU  82   7.828   0.248 -13.046
  606    HA   GLU  82           HA       GLU  82   8.042   0.363 -10.235
  607    HB2  GLU  82           2HB      GLU  82   7.006   2.210 -11.282
  608    HB3  GLU  82           1HB      GLU  82   5.901   1.185 -12.185
  609    HG2  GLU  82           2HG      GLU  82   4.710   2.321 -10.448
  610    HG3  GLU  82           1HG      GLU  82   4.767   0.596 -10.109
  611    H    THR  83           H        THR  83   5.418  -1.062 -12.200
  612    HA   THR  83           HA       THR  83   4.212  -2.350 -10.029
  613    HB   THR  83           HB       THR  83   3.986  -3.554 -12.748
  614    HG1  THR  83           1HG      THR  83   2.923  -1.006 -12.011
  615   HG21  THR  83          3HG2      THR  83   1.622  -3.622 -12.150
  616   HG22  THR  83          1HG2      THR  83   1.954  -2.711 -10.676
  617   HG23  THR  83          2HG2      THR  83   2.598  -4.342 -10.869
  618    H    LYS  84           H        LYS  84   6.842  -3.308 -12.124
  619    HA   LYS  84           HA       LYS  84   6.729  -6.086 -11.557
  620    HB2  LYS  84           2HB      LYS  84   7.863  -5.041 -13.534
  621    HB3  LYS  84           1HB      LYS  84   9.127  -4.484 -12.452
  622    HG2  LYS  84           2HG      LYS  84   9.846  -6.478 -13.587
  623    HG3  LYS  84           1HG      LYS  84   9.639  -6.813 -11.869
  624    HD2  LYS  84           2HD      LYS  84   8.672  -8.661 -12.896
  625    HD3  LYS  84           1HD      LYS  84   7.288  -7.639 -12.528
  626    HE2  LYS  84           2HE      LYS  84   8.671  -7.735 -15.208
  627    HE3  LYS  84           1HE      LYS  84   7.240  -8.673 -14.799
  628    HZ1  LYS  84           3HZ      LYS  84   6.104  -6.514 -14.344
  629    HZ2  LYS  84           1HZ      LYS  84   6.551  -6.745 -15.961
  630    HZ3  LYS  84           2HZ      LYS  84   7.464  -5.723 -14.981
  631    H    VAL  85           H        VAL  85   8.862  -3.492 -10.326
  632    HA   VAL  85           HA       VAL  85  10.107  -5.192  -8.395
  633    HB   VAL  85           HB       VAL  85  10.006  -2.171  -8.552
  634   HG11  VAL  85          1HG1      VAL  85  11.936  -2.205  -7.035
  635   HG12  VAL  85          2HG1      VAL  85  11.770  -3.954  -6.874
  636   HG13  VAL  85          3HG1      VAL  85  10.498  -2.890  -6.278
  637   HG21  VAL  85          3HG2      VAL  85  12.115  -4.146  -9.419
  638   HG22  VAL  85          1HG2      VAL  85  12.287  -2.391  -9.445
  639   HG23  VAL  85          2HG2      VAL  85  11.091  -3.174 -10.477
  640    H    PHE  86           H        PHE  86   7.411  -2.958  -8.386
  641    HA   PHE  86           HA       PHE  86   6.890  -2.917  -5.629
  642    HB2  PHE  86           2HB      PHE  86   5.937  -1.305  -7.198
  643    HB3  PHE  86           1HB      PHE  86   5.018  -2.575  -7.985
  644    HD1  PHE  86           1HD      PHE  86   5.473  -1.980  -4.346
  645    HD2  PHE  86           2HD      PHE  86   2.825  -1.898  -7.672
  646    HE1  PHE  86           1HE      PHE  86   3.599  -1.509  -2.834
  647    HE2  PHE  86           2HE      PHE  86   0.940  -1.427  -6.163
  648    HZ   PHE  86           HZ       PHE  86   1.325  -1.231  -3.740
  649    H    LEU  87           H        LEU  87   5.870  -5.152  -8.188
  650    HA   LEU  87           HA       LEU  87   4.191  -6.776  -6.638
  651    HB2  LEU  87           2HB      LEU  87   5.968  -7.390  -8.982
  652    HB3  LEU  87           1HB      LEU  87   5.013  -8.633  -8.205
  653    HG   LEU  87           HG       LEU  87   3.871  -6.150  -9.483
  654   HD11  LEU  87          1HD1      LEU  87   4.960  -7.664 -11.093
  655   HD12  LEU  87          2HD1      LEU  87   3.212  -7.582 -11.298
  656   HD13  LEU  87          3HD1      LEU  87   3.941  -8.980 -10.510
  657   HD21  LEU  87          3HD2      LEU  87   2.361  -6.920  -7.822
  658   HD22  LEU  87          1HD2      LEU  87   2.630  -8.610  -8.262
  659   HD23  LEU  87          2HD2      LEU  87   1.762  -7.536  -9.360
  660    H    LYS  88           H        LYS  88   7.700  -6.930  -7.186
  661    HA   LYS  88           HA       LYS  88   8.009  -9.269  -5.613
  662    HB2  LYS  88           2HB      LYS  88  10.017  -7.262  -6.612
  663    HB3  LYS  88           1HB      LYS  88  10.461  -8.695  -5.690
  664    HG2  LYS  88           2HG      LYS  88   9.062  -8.666  -8.354
  665    HG3  LYS  88           1HG      LYS  88  10.747  -9.102  -8.047
  666    HD2  LYS  88           2HD      LYS  88   9.866 -10.873  -6.481
  667    HD3  LYS  88           1HD      LYS  88   8.266 -10.543  -7.144
  668    HE2  LYS  88           2HE      LYS  88   9.211 -12.433  -8.291
  669    HE3  LYS  88           1HE      LYS  88   9.132 -11.065  -9.399
  670    HZ1  LYS  88           3HZ      LYS  88  11.566 -11.899  -7.915
  671    HZ2  LYS  88           1HZ      LYS  88  11.467 -10.675  -9.080
  672    HZ3  LYS  88           2HZ      LYS  88  11.238 -12.287  -9.529
  673    H    ALA  89           H        ALA  89   7.775  -5.944  -4.783
  674    HA   ALA  89           HA       ALA  89   9.001  -6.080  -2.236
  675    HB1  ALA  89           1HB      ALA  89   8.465  -3.952  -3.302
  676    HB2  ALA  89           2HB      ALA  89   7.702  -4.067  -1.715
  677    HB3  ALA  89           3HB      ALA  89   6.744  -4.309  -3.176
  678    H    GLY  90           H        GLY  90   5.958  -7.164  -3.488
  679    HA2  GLY  90           2HA      GLY  90   5.188  -8.045  -0.772
  680    HA3  GLY  90           1HA      GLY  90   4.018  -7.588  -2.002
  681    H    ASP  91           H        ASP  91   6.488  -9.150  -3.516
  682    HA   ASP  91           HA       ASP  91   5.294 -11.811  -3.122
  683    HB2  ASP  91           2HB      ASP  91   5.537 -10.849  -5.469
  684    HB3  ASP  91           1HB      ASP  91   7.276 -11.058  -5.261
  685    H    SER  92           H        SER  92   6.394 -12.672  -1.330
  686    HA   SER  92           HA       SER  92   9.243 -12.060  -1.075
  687    HB2  SER  92           2HB      SER  92   7.391 -13.445   0.877
  688    HB3  SER  92           1HB      SER  92   9.040 -12.909   1.206
  689    HG   SER  92           HG       SER  92   8.319 -10.760   0.805
  690    H    ASP  93           H        ASP  93   7.123 -14.597  -1.958
  691    HA   ASP  93           HA       ASP  93   9.205 -16.627  -1.644
  692    HB2  ASP  93           2HB      ASP  93   7.505 -18.259  -2.174
  693    HB3  ASP  93           1HB      ASP  93   6.888 -17.159  -0.947
  694    H    GLY  94           H        GLY  94   7.869 -14.594  -4.039
  695    HA2  GLY  94           2HA      GLY  94   8.771 -14.142  -6.124
  696    HA3  GLY  94           1HA      GLY  94   9.848 -15.513  -5.923
  697    H    ASP  95           H        ASP  95   6.308 -15.137  -6.049
  698    HA   ASP  95           HA       ASP  95   6.276 -17.357  -7.973
  699    HB2  ASP  95           2HB      ASP  95   4.035 -17.860  -7.254
  700    HB3  ASP  95           1HB      ASP  95   5.063 -17.729  -5.835
  701    H    GLY  96           H        GLY  96   6.030 -14.040  -7.862
  702    HA2  GLY  96           2HA      GLY  96   5.896 -12.795  -9.868
  703    HA3  GLY  96           1HA      GLY  96   4.996 -14.107 -10.605
  704    H    LYS  97           H        LYS  97   4.203 -12.688  -7.496
  705    HA   LYS  97           HA       LYS  97   1.967 -11.171  -8.527
  706    HB2  LYS  97           2HB      LYS  97   0.257 -12.563  -8.004
  707    HB3  LYS  97           1HB      LYS  97   1.472 -13.798  -8.306
  708    HG2  LYS  97           2HG      LYS  97   1.976 -13.908  -5.926
  709    HG3  LYS  97           1HG      LYS  97   0.794 -12.633  -5.628
  710    HD2  LYS  97           2HD      LYS  97  -0.990 -14.066  -6.512
  711    HD3  LYS  97           1HD      LYS  97   0.190 -15.364  -6.750
  712    HE2  LYS  97           2HE      LYS  97  -0.086 -14.018  -4.123
  713    HE3  LYS  97           1HE      LYS  97  -1.212 -15.309  -4.569
  714    HZ1  LYS  97           3HZ      LYS  97   0.591 -16.823  -4.791
  715    HZ2  LYS  97           1HZ      LYS  97   0.780 -16.060  -3.296
  716    HZ3  LYS  97           2HZ      LYS  97   1.744 -15.604  -4.616
  717    H    ILE  98           H        ILE  98   0.693 -10.235  -6.698
  718    HA   ILE  98           HA       ILE  98   2.397  -9.761  -4.389
  719    HB   ILE  98           HB       ILE  98  -0.267  -8.617  -5.212
  720   HG12  ILE  98          2HG1      ILE  98   1.743  -7.679  -6.264
  721   HG13  ILE  98          1HG1      ILE  98   0.956  -6.506  -5.220
  722   HG21  ILE  98          1HG2      ILE  98  -0.037  -7.197  -3.125
  723   HG22  ILE  98          2HG2      ILE  98   1.168  -8.369  -2.573
  724   HG23  ILE  98          3HG2      ILE  98  -0.494  -8.881  -2.871
  725   HD11  ILE  98          3HD1      ILE  98   2.613  -7.070  -3.461
  726   HD12  ILE  98          1HD1      ILE  98   3.297  -6.326  -4.905
  727   HD13  ILE  98          2HD1      ILE  98   3.454  -8.062  -4.651
  728    H    GLY  99           H        GLY  99   2.289 -10.990  -2.647
  729    HA2  GLY  99           2HA      GLY  99  -0.007 -12.731  -2.254
  730    HA3  GLY  99           1HA      GLY  99   1.441 -12.659  -1.249
  731    H    VAL 100           H        VAL 100  -1.612 -12.356  -0.825
  732    HA   VAL 100           HA       VAL 100  -2.170  -9.768   0.008
  733    HB   VAL 100           HB       VAL 100  -3.251 -12.456   0.684
  734   HG11  VAL 100          1HG1      VAL 100  -5.001 -11.405   2.092
  735   HG12  VAL 100          2HG1      VAL 100  -4.052  -9.918   2.088
  736   HG13  VAL 100          3HG1      VAL 100  -3.398 -11.378   2.826
  737   HG21  VAL 100          3HG2      VAL 100  -5.268 -11.539  -0.331
  738   HG22  VAL 100          1HG2      VAL 100  -3.877 -11.339  -1.399
  739   HG23  VAL 100          2HG2      VAL 100  -4.487  -9.965  -0.476
  740    H    ASP 101           H        ASP 101  -0.944 -12.492   1.932
  741    HA   ASP 101           HA       ASP 101  -0.586 -11.017   4.318
  742    HB2  ASP 101           2HB      ASP 101   0.684 -12.928   5.096
  743    HB3  ASP 101           1HB      ASP 101  -0.712 -13.497   4.184
  744    H    GLU 102           H        GLU 102   1.337 -11.418   1.463
  745    HA   GLU 102           HA       GLU 102   3.812 -10.592   2.649
  746    HB2  GLU 102           2HB      GLU 102   3.160 -10.666  -0.303
  747    HB3  GLU 102           1HB      GLU 102   4.742 -10.814   0.463
  748    HG2  GLU 102           2HG      GLU 102   3.774 -12.948   1.545
  749    HG3  GLU 102           1HG      GLU 102   2.537 -12.832   0.305
  750    H    PHE 103           H        PHE 103   1.210  -9.059   0.872
  751    HA   PHE 103           HA       PHE 103   2.530  -6.548   0.397
  752    HB2  PHE 103           2HB      PHE 103   0.528  -7.482  -0.856
  753    HB3  PHE 103           1HB      PHE 103  -0.454  -7.127   0.556
  754    HD1  PHE 103           2HD      PHE 103   1.384  -5.714  -2.262
  755    HD2  PHE 103           1HD      PHE 103  -1.087  -4.853   1.088
  756    HE1  PHE 103           2HE      PHE 103   0.973  -3.461  -3.152
  757    HE2  PHE 103           1HE      PHE 103  -1.512  -2.599   0.192
  758    HZ   PHE 103           HZ       PHE 103  -0.478  -1.900  -1.925
  759    H    GLY 104           H        GLY 104   0.426  -7.833   2.968
  760    HA2  GLY 104           2HA      GLY 104   0.095  -5.443   4.419
  761    HA3  GLY 104           1HA      GLY 104   0.074  -7.059   5.117
  762    H    ALA 105           H        ALA 105   2.547  -7.981   4.691
  763    HA   ALA 105           HA       ALA 105   4.183  -6.641   6.563
  764    HB1  ALA 105           1HB      ALA 105   5.916  -8.239   5.879
  765    HB2  ALA 105           2HB      ALA 105   4.920  -8.727   4.509
  766    HB3  ALA 105           3HB      ALA 105   4.368  -9.036   6.155
  767    H    MET 106           H        MET 106   3.720  -6.314   3.172
  768    HA   MET 106           HA       MET 106   6.163  -5.110   2.431
  769    HB2  MET 106           2HB      MET 106   4.570  -6.001   0.785
  770    HB3  MET 106           1HB      MET 106   3.410  -4.756   1.238
  771    HG2  MET 106           2HG      MET 106   5.472  -3.189   0.641
  772    HG3  MET 106           1HG      MET 106   5.849  -4.587  -0.370
  773    HE1  MET 106           3HE      MET 106   4.934  -5.039  -2.589
  774    HE2  MET 106           1HE      MET 106   3.309  -4.612  -3.125
  775    HE3  MET 106           2HE      MET 106   3.530  -5.726  -1.777
  776    H    ILE 107           H        ILE 107   3.043  -3.754   3.421
  777    HA   ILE 107           HA       ILE 107   3.811  -1.055   2.937
  778    HB   ILE 107           HB       ILE 107   1.580  -2.026   4.751
  779   HG12  ILE 107          2HG1      ILE 107   1.397  -1.378   1.801
  780   HG13  ILE 107          1HG1      ILE 107   1.492  -3.017   2.441
  781   HG21  ILE 107          1HG2      ILE 107   0.555   0.115   4.271
  782   HG22  ILE 107          2HG2      ILE 107   1.888   0.542   3.199
  783   HG23  ILE 107          3HG2      ILE 107   2.173   0.355   4.928
  784   HD11  ILE 107          3HD1      ILE 107  -0.585  -2.657   3.664
  785   HD12  ILE 107          1HD1      ILE 107  -0.794  -2.405   1.934
  786   HD13  ILE 107          2HD1      ILE 107  -0.681  -1.020   3.017
  787    H    LYS 108           H        LYS 108   3.828  -3.246   5.603
  788    HA   LYS 108           HA       LYS 108   4.429  -1.274   7.601
  789    HB2  LYS 108           2HB      LYS 108   3.142  -3.190   8.201
  790    HB3  LYS 108           1HB      LYS 108   4.365  -4.287   7.586
  791    HG2  LYS 108           2HG      LYS 108   4.987  -2.451   9.865
  792    HG3  LYS 108           1HG      LYS 108   4.106  -3.953  10.137
  793    HD2  LYS 108           2HD      LYS 108   6.789  -3.769   8.773
  794    HD3  LYS 108           1HD      LYS 108   6.570  -4.138  10.483
  795    HE2  LYS 108           2HE      LYS 108   5.480  -5.762   8.183
  796    HE3  LYS 108           1HE      LYS 108   6.923  -6.152   9.112
  797    HZ1  LYS 108           3HZ      LYS 108   5.516  -6.312  11.099
  798    HZ2  LYS 108           1HZ      LYS 108   5.073  -7.426   9.907
  799    HZ3  LYS 108           2HZ      LYS 108   4.143  -6.036  10.150
  800    H    ALA 109           H        ALA 109   6.251  -3.233   5.412
  801    HA   ALA 109           HA       ALA 109   8.673  -3.493   6.786
  802    HB1  ALA 109           1HB      ALA 109   9.689  -3.877   4.611
  803    HB2  ALA 109           2HB      ALA 109   8.262  -3.219   3.812
  804    HB3  ALA 109           3HB      ALA 109   8.145  -4.718   4.732
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1 -16.570   7.656  -6.553
    2    H2   MET   1           2HT      MET   1 -16.355   6.699  -7.928
    3    H3   MET   1           3HT      MET   1 -15.115   7.725  -7.411
    4    HA   MET   1           HA       MET   1 -16.151   5.359  -5.976
    5    HB2  MET   1           2HB      MET   1 -13.580   5.877  -7.465
    6    HB3  MET   1           1HB      MET   1 -13.764   4.556  -6.319
    7    HG2  MET   1           2HG      MET   1 -15.642   3.700  -7.689
    8    HG3  MET   1           1HG      MET   1 -15.305   4.964  -8.870
    9    HE1  MET   1           2HE      MET   1 -11.756   3.985 -10.156
   10    HE2  MET   1           3HE      MET   1 -12.148   5.117  -8.862
   11    HE3  MET   1           1HE      MET   1 -13.122   5.088 -10.332
   12    H    ALA   2           H        ALA   2 -16.521   6.681  -4.127
   13    HA   ALA   2           HA       ALA   2 -14.021   7.366  -2.719
   14    HB1  ALA   2           1HB      ALA   2 -16.747   8.611  -2.344
   15    HB2  ALA   2           2HB      ALA   2 -15.376   9.356  -3.168
   16    HB3  ALA   2           3HB      ALA   2 -15.288   9.017  -1.439
   17    H    PHE   3           H        PHE   3 -13.727   6.501  -0.709
   18    HA   PHE   3           HA       PHE   3 -15.765   4.557   0.151
   19    HB2  PHE   3           2HB      PHE   3 -13.458   3.735  -0.589
   20    HB3  PHE   3           1HB      PHE   3 -12.822   4.516   0.851
   21    HD1  PHE   3           2HD      PHE   3 -15.479   2.092  -0.129
   22    HD2  PHE   3           1HD      PHE   3 -12.565   3.245   2.747
   23    HE1  PHE   3           2HE      PHE   3 -15.972   0.067   1.176
   24    HE2  PHE   3           1HE      PHE   3 -13.055   1.222   4.059
   25    HZ   PHE   3           HZ       PHE   3 -14.759  -0.368   3.273
   26    H    ALA   4           H        ALA   4 -15.151   4.089   2.707
   27    HA   ALA   4           HA       ALA   4 -16.014   6.243   4.221
   28    HB1  ALA   4           1HB      ALA   4 -14.310   3.895   5.054
   29    HB2  ALA   4           2HB      ALA   4 -16.072   3.979   5.069
   30    HB3  ALA   4           3HB      ALA   4 -15.133   4.987   6.165
   31    H    GLY   5           H        GLY   5 -14.828   7.460   5.872
   32    HA2  GLY   5           2HA      GLY   5 -12.631   8.824   4.628
   33    HA3  GLY   5           1HA      GLY   5 -13.363   9.215   6.177
   34    H    ILE   6           H        ILE   6 -12.245   6.000   5.645
   35    HA   ILE   6           HA       ILE   6 -10.240   6.096   7.657
   36    HB   ILE   6           HB       ILE   6 -10.572   4.087   5.414
   37   HG12  ILE   6          2HG1      ILE   6 -11.650   3.939   8.236
   38   HG13  ILE   6          1HG1      ILE   6 -12.615   4.372   6.826
   39   HG21  ILE   6          1HG2      ILE   6  -9.407   2.556   6.991
   40   HG22  ILE   6          2HG2      ILE   6  -9.109   3.944   8.041
   41   HG23  ILE   6          3HG2      ILE   6  -8.410   3.898   6.423
   42   HD11  ILE   6          3HD1      ILE   6 -12.896   2.028   7.477
   43   HD12  ILE   6          1HD1      ILE   6 -11.172   1.759   7.206
   44   HD13  ILE   6          2HD1      ILE   6 -12.220   2.194   5.855
   45    H    LEU   7           H        LEU   7 -10.320   6.330   4.177
   46    HA   LEU   7           HA       LEU   7  -7.645   7.470   4.202
   47    HB2  LEU   7           2HB      LEU   7  -6.916   6.240   2.261
   48    HB3  LEU   7           1HB      LEU   7  -7.341   5.128   3.535
   49    HG   LEU   7           HG       LEU   7  -8.024   4.144   1.506
   50   HD11  LEU   7          1HD1      LEU   7  -9.647   3.887   3.301
   51   HD12  LEU   7          2HD1      LEU   7 -10.404   3.858   1.708
   52   HD13  LEU   7          3HD1      LEU   7 -10.519   5.302   2.711
   53   HD21  LEU   7          3HD2      LEU   7  -9.540   5.218  -0.107
   54   HD22  LEU   7          1HD2      LEU   7  -7.979   6.029   0.032
   55   HD23  LEU   7          2HD2      LEU   7  -9.404   6.720   0.806
   56    H    ASN   8           H        ASN   8  -7.273   8.990   2.590
   57    HA   ASN   8           HA       ASN   8  -9.753  10.049   1.434
   58    HB2  ASN   8           2HB      ASN   8  -7.063  11.366   1.894
   59    HB3  ASN   8           1HB      ASN   8  -8.459  12.156   1.163
   60   HD21  ASN   8          1HD2      ASN   8 -10.308  10.727   2.987
   61   HD22  ASN   8          2HD2      ASN   8 -10.165  11.545   4.503
   62    H    ASP   9           H        ASP   9 -10.112   9.550  -0.603
   63    HA   ASP   9           HA       ASP   9  -8.308   8.221  -2.262
   64    HB2  ASP   9           2HB      ASP   9  -9.988   8.215  -3.866
   65    HB3  ASP   9           1HB      ASP   9 -10.893   8.442  -2.379
   66    H    ALA  10           H        ALA  10  -8.940  11.606  -1.841
   67    HA   ALA  10           HA       ALA  10  -7.544  12.603  -4.077
   68    HB1  ALA  10           1HB      ALA  10  -9.032  14.001  -2.760
   69    HB2  ALA  10           2HB      ALA  10  -7.417  14.709  -2.825
   70    HB3  ALA  10           3HB      ALA  10  -7.954  13.868  -1.370
   71    H    ASP  11           H        ASP  11  -6.458  11.779  -0.802
   72    HA   ASP  11           HA       ASP  11  -3.788  12.671  -1.168
   73    HB2  ASP  11           2HB      ASP  11  -5.084  10.835   0.831
   74    HB3  ASP  11           1HB      ASP  11  -3.344  11.098   0.826
   75    H    ILE  12           H        ILE  12  -5.377   9.568  -1.484
   76    HA   ILE  12           HA       ILE  12  -3.168   8.024  -2.221
   77    HB   ILE  12           HB       ILE  12  -6.104   7.862  -2.743
   78   HG12  ILE  12          2HG1      ILE  12  -5.801   5.658  -1.575
   79   HG13  ILE  12          1HG1      ILE  12  -4.107   6.066  -1.354
   80   HG21  ILE  12          1HG2      ILE  12  -5.124   7.109  -4.840
   81   HG22  ILE  12          2HG2      ILE  12  -5.831   5.752  -3.962
   82   HG23  ILE  12          3HG2      ILE  12  -4.083   5.985  -3.965
   83   HD11  ILE  12          3HD1      ILE  12  -4.758   7.999  -0.011
   84   HD12  ILE  12          1HD1      ILE  12  -5.381   6.491   0.656
   85   HD13  ILE  12          2HD1      ILE  12  -6.454   7.574  -0.231
   86    H    THR  13           H        THR  13  -5.418   9.920  -4.193
   87    HA   THR  13           HA       THR  13  -4.244   9.424  -6.693
   88    HB   THR  13           HB       THR  13  -5.769  11.874  -5.777
   89    HG1  THR  13           1HG      THR  13  -6.995   9.993  -5.504
   90   HG21  THR  13          3HG2      THR  13  -5.298  10.797  -8.561
   91   HG22  THR  13          1HG2      THR  13  -4.584  12.261  -7.885
   92   HG23  THR  13          2HG2      THR  13  -6.326  12.169  -8.145
   93    H    ALA  14           H        ALA  14  -3.530  11.811  -4.198
   94    HA   ALA  14           HA       ALA  14  -1.848  13.489  -5.684
   95    HB1  ALA  14           1HB      ALA  14  -1.708  12.862  -2.736
   96    HB2  ALA  14           2HB      ALA  14  -2.736  14.086  -3.481
   97    HB3  ALA  14           3HB      ALA  14  -0.981  14.253  -3.540
   98    H    ALA  15           H        ALA  15  -0.988  10.777  -3.527
   99    HA   ALA  15           HA       ALA  15   1.759  10.789  -4.052
  100    HB1  ALA  15           1HB      ALA  15   1.782   8.544  -3.129
  101    HB2  ALA  15           2HB      ALA  15   0.030   8.434  -3.311
  102    HB3  ALA  15           3HB      ALA  15   0.729   9.592  -2.179
  103    H    LEU  16           H        LEU  16  -0.890   9.192  -5.737
  104    HA   LEU  16           HA       LEU  16   0.748   7.626  -7.454
  105    HB2  LEU  16           2HB      LEU  16  -2.138   8.461  -7.539
  106    HB3  LEU  16           1HB      LEU  16  -1.419   7.496  -8.814
  107    HG   LEU  16           HG       LEU  16  -1.311   6.617  -5.940
  108   HD11  LEU  16          1HD1      LEU  16  -3.460   5.996  -7.956
  109   HD12  LEU  16          2HD1      LEU  16  -3.658   6.976  -6.505
  110   HD13  LEU  16          3HD1      LEU  16  -3.288   5.258  -6.366
  111   HD21  LEU  16          3HD2      LEU  16  -1.034   4.418  -6.942
  112   HD22  LEU  16          1HD2      LEU  16   0.197   5.530  -7.542
  113   HD23  LEU  16          2HD2      LEU  16  -1.190   5.116  -8.554
  114    H    ALA  17           H        ALA  17  -0.848  10.765  -7.818
  115    HA   ALA  17           HA       ALA  17  -0.053  11.115 -10.541
  116    HB1  ALA  17           1HB      ALA  17  -0.990  13.163  -8.533
  117    HB2  ALA  17           2HB      ALA  17  -2.026  12.228  -9.611
  118    HB3  ALA  17           3HB      ALA  17  -0.882  13.394 -10.279
  119    H    ALA  18           H        ALA  18   1.540  11.470  -7.557
  120    HA   ALA  18           HA       ALA  18   3.334  13.571  -8.241
  121    HB1  ALA  18           1HB      ALA  18   4.571  12.913  -6.275
  122    HB2  ALA  18           2HB      ALA  18   3.714  11.374  -6.210
  123    HB3  ALA  18           3HB      ALA  18   2.845  12.879  -5.913
  124    H    CYS  19           H        CYS  19   3.270  10.127  -8.682
  125    HA   CYS  19           HA       CYS  19   5.914  10.247  -9.973
  126    HB2  CYS  19           2HB      CYS  19   4.859   7.942  -8.327
  127    HB3  CYS  19           1HB      CYS  19   6.464   8.093  -9.034
  128    HG   CYS  19           HG       CYS  19   7.465   8.925  -6.826
  129    H    LYS  20           H        LYS  20   3.556  10.557 -11.394
  130    HA   LYS  20           HA       LYS  20   2.625   8.034 -12.389
  131    HB2  LYS  20           2HB      LYS  20   1.267   9.505 -13.879
  132    HB3  LYS  20           1HB      LYS  20   1.028   9.792 -12.169
  133    HG2  LYS  20           2HG      LYS  20   2.490  11.745 -12.303
  134    HG3  LYS  20           1HG      LYS  20   2.728  11.448 -14.026
  135    HD2  LYS  20           2HD      LYS  20   0.333  11.761 -14.407
  136    HD3  LYS  20           1HD      LYS  20   0.095  12.049 -12.683
  137    HE2  LYS  20           2HE      LYS  20   1.553  14.005 -12.805
  138    HE3  LYS  20           1HE      LYS  20   1.802  13.717 -14.527
  139    HZ1  LYS  20           3HZ      LYS  20  -0.811  14.317 -13.250
  140    HZ2  LYS  20           1HZ      LYS  20  -0.543  14.084 -14.901
  141    HZ3  LYS  20           2HZ      LYS  20   0.129  15.420 -14.117
  142    H    ALA  21           H        ALA  21   5.210   7.887 -12.874
  143    HA   ALA  21           HA       ALA  21   5.367   7.934 -15.764
  144    HB1  ALA  21           1HB      ALA  21   7.472   9.167 -15.852
  145    HB2  ALA  21           2HB      ALA  21   7.387   9.449 -14.113
  146    HB3  ALA  21           3HB      ALA  21   6.183  10.167 -15.183
  147    H    GLU  22           H        GLU  22   6.643   6.328 -16.540
  148    HA   GLU  22           HA       GLU  22   7.424   4.226 -14.867
  149    HB2  GLU  22           2HB      GLU  22   8.388   4.829 -17.670
  150    HB3  GLU  22           1HB      GLU  22   8.578   3.296 -16.838
  151    HG2  GLU  22           2HG      GLU  22   6.770   2.906 -18.206
  152    HG3  GLU  22           1HG      GLU  22   6.003   3.327 -16.677
  153    H    GLY  23           H        GLY  23   9.104   3.976 -13.597
  154    HA2  GLY  23           2HA      GLY  23  11.429   3.998 -13.117
  155    HA3  GLY  23           1HA      GLY  23  11.619   5.358 -14.218
  156    H    SER  24           H        SER  24   8.913   6.080 -12.610
  157    HA   SER  24           HA       SER  24  10.416   7.598 -10.591
  158    HB2  SER  24           2HB      SER  24   9.571   8.967 -12.492
  159    HB3  SER  24           1HB      SER  24   7.928   8.500 -12.054
  160    HG   SER  24           HG       SER  24   9.127   9.401  -9.858
  161    H    PHE  25           H        PHE  25   7.870   5.359 -11.082
  162    HA   PHE  25           HA       PHE  25   6.034   6.132  -9.128
  163    HB2  PHE  25           2HB      PHE  25   6.718   3.494 -10.353
  164    HB3  PHE  25           1HB      PHE  25   5.614   3.553  -8.979
  165    HD1  PHE  25           2HD      PHE  25   3.460   4.692  -9.173
  166    HD2  PHE  25           1HD      PHE  25   6.070   4.302 -12.509
  167    HE1  PHE  25           2HE      PHE  25   1.607   5.265 -10.686
  168    HE2  PHE  25           1HE      PHE  25   4.224   4.875 -14.026
  169    HZ   PHE  25           HZ       PHE  25   1.987   5.356 -13.118
  170    H    ASP  26           H        ASP  26   6.178   6.343  -7.037
  171    HA   ASP  26           HA       ASP  26   8.280   4.886  -5.593
  172    HB2  ASP  26           2HB      ASP  26   6.810   7.450  -5.016
  173    HB3  ASP  26           1HB      ASP  26   7.719   6.606  -3.771
  174    H    HIS  27           H        HIS  27   7.254   2.941  -5.206
  175    HA   HIS  27           HA       HIS  27   4.618   2.628  -4.308
  176    HB2  HIS  27           2HB      HIS  27   5.145   0.359  -3.870
  177    HB3  HIS  27           1HB      HIS  27   6.183   0.823  -5.205
  178    HD1  HIS  27           1HD      HIS  27   8.729   0.920  -4.769
  179    HD2  HIS  27           2HD      HIS  27   6.477  -0.294  -1.495
  180    HE1  HIS  27           1HE      HIS  27  10.376  -0.054  -3.142
  181    HE2  HIS  27           2HE      HIS  27   8.975  -0.913  -1.233
  182    H    LYS  28           H        LYS  28   7.559   3.252  -2.640
  183    HA   LYS  28           HA       LYS  28   6.567   2.651  -0.024
  184    HB2  LYS  28           2HB      LYS  28   8.936   2.466  -0.810
  185    HB3  LYS  28           1HB      LYS  28   8.974   4.222  -0.900
  186    HG2  LYS  28           2HG      LYS  28   8.698   4.430   1.470
  187    HG3  LYS  28           1HG      LYS  28   8.462   2.690   1.635
  188    HD2  LYS  28           2HD      LYS  28  10.741   2.300   0.845
  189    HD3  LYS  28           1HD      LYS  28  10.977   4.038   0.660
  190    HE2  LYS  28           2HE      LYS  28  10.699   4.365   3.040
  191    HE3  LYS  28           1HE      LYS  28  10.331   2.654   3.261
  192    HZ1  LYS  28           3HZ      LYS  28  12.915   3.719   2.260
  193    HZ2  LYS  28           1HZ      LYS  28  12.554   2.097   2.571
  194    HZ3  LYS  28           2HZ      LYS  28  12.627   3.206   3.843
  195    H    ALA  29           H        ALA  29   7.450   5.632  -1.771
  196    HA   ALA  29           HA       ALA  29   6.613   7.469   0.136
  197    HB1  ALA  29           1HB      ALA  29   6.389   7.809  -2.849
  198    HB2  ALA  29           2HB      ALA  29   7.868   8.045  -1.921
  199    HB3  ALA  29           3HB      ALA  29   6.474   9.088  -1.640
  200    H    PHE  30           H        PHE  30   4.777   5.663  -2.253
  201    HA   PHE  30           HA       PHE  30   2.333   6.972  -2.038
  202    HB2  PHE  30           2HB      PHE  30   2.722   5.273  -3.736
  203    HB3  PHE  30           1HB      PHE  30   2.888   4.031  -2.500
  204    HD1  PHE  30           2HD      PHE  30   0.475   6.459  -3.931
  205    HD2  PHE  30           1HD      PHE  30   1.024   2.838  -1.766
  206    HE1  PHE  30           2HE      PHE  30  -1.944   6.023  -4.053
  207    HE2  PHE  30           1HE      PHE  30  -1.393   2.394  -1.886
  208    HZ   PHE  30           HZ       PHE  30  -2.880   3.988  -3.029
  209    H    PHE  31           H        PHE  31   3.370   4.039  -0.215
  210    HA   PHE  31           HA       PHE  31   1.010   3.926   1.309
  211    HB2  PHE  31           2HB      PHE  31   1.984   2.193   2.554
  212    HB3  PHE  31           1HB      PHE  31   2.729   2.093   0.985
  213    HD1  PHE  31           1HD      PHE  31   3.490   3.725   4.255
  214    HD2  PHE  31           2HD      PHE  31   4.883   1.528   0.898
  215    HE1  PHE  31           1HE      PHE  31   5.710   3.554   5.297
  216    HE2  PHE  31           2HE      PHE  31   7.110   1.366   1.920
  217    HZ   PHE  31           HZ       PHE  31   7.530   2.381   4.125
  218    H    THR  32           H        THR  32   3.951   5.652   1.805
  219    HA   THR  32           HA       THR  32   3.363   6.126   4.584
  220    HB   THR  32           HB       THR  32   5.576   5.480   3.730
  221    HG1  THR  32           1HG      THR  32   5.045   7.667   5.380
  222   HG21  THR  32          3HG2      THR  32   5.550   6.803   1.685
  223   HG22  THR  32          1HG2      THR  32   6.981   7.173   2.651
  224   HG23  THR  32          2HG2      THR  32   5.614   8.293   2.628
  225    H    LYS  33           H        LYS  33   3.261   7.899   1.587
  226    HA   LYS  33           HA       LYS  33   2.818  10.464   2.836
  227    HB2  LYS  33           2HB      LYS  33   3.892  10.245   0.651
  228    HB3  LYS  33           1HB      LYS  33   2.444   9.503  -0.000
  229    HG2  LYS  33           2HG      LYS  33   1.220  11.612   0.459
  230    HG3  LYS  33           1HG      LYS  33   2.756  12.343   0.934
  231    HD2  LYS  33           2HD      LYS  33   2.216  11.081  -1.754
  232    HD3  LYS  33           1HD      LYS  33   2.112  12.816  -1.423
  233    HE2  LYS  33           2HE      LYS  33   4.480  12.807  -0.757
  234    HE3  LYS  33           1HE      LYS  33   4.569  11.088  -1.134
  235    HZ1  LYS  33           3HZ      LYS  33   5.425  12.417  -2.947
  236    HZ2  LYS  33           1HZ      LYS  33   3.966  13.261  -3.061
  237    HZ3  LYS  33           2HZ      LYS  33   4.020  11.614  -3.432
  238    H    VAL  34           H        VAL  34   1.016   7.817   1.612
  239    HA   VAL  34           HA       VAL  34  -1.540   9.104   1.584
  240    HB   VAL  34           HB       VAL  34  -0.377   6.520   0.887
  241   HG11  VAL  34          1HG1      VAL  34  -3.190   6.538   1.937
  242   HG12  VAL  34          2HG1      VAL  34  -1.807   5.692   2.635
  243   HG13  VAL  34          3HG1      VAL  34  -2.423   5.219   1.051
  244   HG21  VAL  34          3HG2      VAL  34  -1.099   8.113  -0.763
  245   HG22  VAL  34          1HG2      VAL  34  -2.742   8.075  -0.125
  246   HG23  VAL  34          2HG2      VAL  34  -2.061   6.641  -0.893
  247    H    GLY  35           H        GLY  35   0.280   7.108   3.840
  248    HA2  GLY  35           2HA      GLY  35  -0.106   7.184   6.195
  249    HA3  GLY  35           1HA      GLY  35  -1.779   7.612   5.875
  250    H    LEU  36           H        LEU  36  -0.465   5.140   3.930
  251    HA   LEU  36           HA       LEU  36  -2.454   3.305   4.859
  252    HB2  LEU  36           2HB      LEU  36  -1.473   3.634   2.468
  253    HB3  LEU  36           1HB      LEU  36  -0.199   2.567   3.021
  254    HG   LEU  36           HG       LEU  36  -2.015   0.886   3.583
  255   HD11  LEU  36          1HD1      LEU  36  -3.891   2.456   3.606
  256   HD12  LEU  36          2HD1      LEU  36  -4.153   1.145   2.458
  257   HD13  LEU  36          3HD1      LEU  36  -3.672   2.740   1.880
  258   HD21  LEU  36          3HD2      LEU  36  -2.223   0.114   1.289
  259   HD22  LEU  36          1HD2      LEU  36  -0.586   0.685   1.609
  260   HD23  LEU  36          2HD2      LEU  36  -1.708   1.694   0.695
  261    H    ALA  37           H        ALA  37   0.719   4.021   5.781
  262    HA   ALA  37           HA       ALA  37   1.515   1.388   6.593
  263    HB1  ALA  37           1HB      ALA  37   2.688   4.034   7.417
  264    HB2  ALA  37           2HB      ALA  37   3.112   3.161   5.946
  265    HB3  ALA  37           3HB      ALA  37   3.456   2.450   7.524
  266    H    ALA  38           H        ALA  38  -0.706   3.507   7.826
  267    HA   ALA  38           HA       ALA  38  -0.392   2.400  10.538
  268    HB1  ALA  38           1HB      ALA  38  -0.057   4.822  10.490
  269    HB2  ALA  38           2HB      ALA  38  -1.510   4.392  11.393
  270    HB3  ALA  38           3HB      ALA  38  -1.646   5.029   9.754
  271    H    LYS  39           H        LYS  39  -1.793   1.233   8.229
  272    HA   LYS  39           HA       LYS  39  -4.616   1.513   8.829
  273    HB2  LYS  39           2HB      LYS  39  -3.189  -0.411   6.992
  274    HB3  LYS  39           1HB      LYS  39  -4.931  -0.204   7.081
  275    HG2  LYS  39           2HG      LYS  39  -2.969   1.927   6.233
  276    HG3  LYS  39           1HG      LYS  39  -3.875   0.896   5.132
  277    HD2  LYS  39           2HD      LYS  39  -5.226   2.735   5.137
  278    HD3  LYS  39           1HD      LYS  39  -5.930   1.853   6.489
  279    HE2  LYS  39           2HE      LYS  39  -4.578   3.191   8.044
  280    HE3  LYS  39           1HE      LYS  39  -3.906   4.081   6.680
  281    HZ1  LYS  39           3HZ      LYS  39  -6.089   4.902   6.152
  282    HZ2  LYS  39           1HZ      LYS  39  -5.730   5.262   7.765
  283    HZ3  LYS  39           2HZ      LYS  39  -6.782   3.991   7.397
  284    H    SER  40           H        SER  40  -5.823   0.175  10.031
  285    HA   SER  40           HA       SER  40  -4.565  -1.672  11.798
  286    HB2  SER  40           2HB      SER  40  -7.516  -1.332  11.211
  287    HB3  SER  40           1HB      SER  40  -6.804  -2.052  12.655
  288    HG   SER  40           HG       SER  40  -5.783   0.403  12.265
  289    HA   PRO  41           HA       PRO  41  -4.438  -5.560   9.746
  290    HB2  PRO  41           2HB      PRO  41  -6.438  -6.521  11.756
  291    HB3  PRO  41           1HB      PRO  41  -4.934  -7.279  11.216
  292    HG2  PRO  41           2HG      PRO  41  -5.022  -5.994  13.533
  293    HG3  PRO  41           1HG      PRO  41  -3.605  -5.849  12.477
  294    HD2  PRO  41           2HD      PRO  41  -5.769  -3.883  13.029
  295    HD3  PRO  41           1HD      PRO  41  -4.061  -3.606  12.635
  296    H    ALA  42           H        ALA  42  -7.811  -5.059  10.862
  297    HA   ALA  42           HA       ALA  42  -8.930  -6.489   8.674
  298    HB1  ALA  42           1HB      ALA  42 -10.091  -6.257  10.810
  299    HB2  ALA  42           2HB      ALA  42 -11.078  -5.671   9.472
  300    HB3  ALA  42           3HB      ALA  42 -10.260  -4.524  10.531
  301    H    ASP  43           H        ASP  43  -8.012  -3.190   9.157
  302    HA   ASP  43           HA       ASP  43  -9.496  -2.140   6.948
  303    HB2  ASP  43           2HB      ASP  43  -8.694  -0.796   8.924
  304    HB3  ASP  43           1HB      ASP  43  -7.063  -0.940   8.280
  305    H    ILE  44           H        ILE  44  -6.198  -3.276   7.491
  306    HA   ILE  44           HA       ILE  44  -5.298  -2.945   4.824
  307    HB   ILE  44           HB       ILE  44  -4.417  -4.581   7.161
  308   HG12  ILE  44          2HG1      ILE  44  -3.679  -2.294   7.037
  309   HG13  ILE  44          1HG1      ILE  44  -2.300  -3.358   6.786
  310   HG21  ILE  44          1HG2      ILE  44  -2.585  -5.587   5.880
  311   HG22  ILE  44          2HG2      ILE  44  -3.283  -4.946   4.392
  312   HG23  ILE  44          3HG2      ILE  44  -4.162  -6.156   5.328
  313   HD11  ILE  44          3HD1      ILE  44  -2.550  -2.987   4.339
  314   HD12  ILE  44          1HD1      ILE  44  -2.130  -1.544   5.263
  315   HD13  ILE  44          2HD1      ILE  44  -3.784  -1.781   4.705
  316    H    LYS  45           H        LYS  45  -7.389  -5.243   6.362
  317    HA   LYS  45           HA       LYS  45  -7.215  -7.279   4.392
  318    HB2  LYS  45           2HB      LYS  45  -8.114  -7.681   6.659
  319    HB3  LYS  45           1HB      LYS  45  -9.497  -6.668   6.280
  320    HG2  LYS  45           2HG      LYS  45 -10.066  -9.023   6.114
  321    HG3  LYS  45           1HG      LYS  45 -10.185  -8.234   4.542
  322    HD2  LYS  45           2HD      LYS  45  -9.129 -10.370   4.250
  323    HD3  LYS  45           1HD      LYS  45  -7.925  -9.111   3.990
  324    HE2  LYS  45           2HE      LYS  45  -6.932 -10.856   5.300
  325    HE3  LYS  45           1HE      LYS  45  -7.157  -9.445   6.331
  326    HZ1  LYS  45           3HZ      LYS  45  -9.172 -10.478   7.210
  327    HZ2  LYS  45           1HZ      LYS  45  -7.817 -11.453   7.471
  328    HZ3  LYS  45           2HZ      LYS  45  -8.911 -11.837   6.242
  329    H    LYS  46           H        LYS  46  -9.300  -4.402   4.731
  330    HA   LYS  46           HA       LYS  46 -10.695  -5.049   2.308
  331    HB2  LYS  46           2HB      LYS  46 -11.675  -2.832   2.405
  332    HB3  LYS  46           1HB      LYS  46 -11.771  -3.610   3.967
  333    HG2  LYS  46           2HG      LYS  46 -11.252  -1.386   4.411
  334    HG3  LYS  46           1HG      LYS  46  -9.736  -2.256   4.615
  335    HD2  LYS  46           2HD      LYS  46  -9.271  -0.224   3.448
  336    HD3  LYS  46           1HD      LYS  46  -9.105  -1.550   2.303
  337    HE2  LYS  46           2HE      LYS  46 -11.629   0.069   2.549
  338    HE3  LYS  46           1HE      LYS  46 -10.304   0.544   1.493
  339    HZ1  LYS  46           3HZ      LYS  46 -12.097  -1.788   1.272
  340    HZ2  LYS  46           1HZ      LYS  46 -10.568  -1.818   0.545
  341    HZ3  LYS  46           2HZ      LYS  46 -11.691  -0.638   0.106
  342    H    VAL  47           H        VAL  47  -7.714  -3.535   3.114
  343    HA   VAL  47           HA       VAL  47  -7.191  -2.382   0.570
  344    HB   VAL  47           HB       VAL  47  -5.246  -3.395   2.662
  345   HG11  VAL  47          1HG1      VAL  47  -4.181  -3.298   0.474
  346   HG12  VAL  47          2HG1      VAL  47  -3.577  -2.010   1.517
  347   HG13  VAL  47          3HG1      VAL  47  -4.754  -1.645   0.255
  348   HG21  VAL  47          3HG2      VAL  47  -6.272  -0.624   2.056
  349   HG22  VAL  47          1HG2      VAL  47  -5.000  -1.006   3.215
  350   HG23  VAL  47          2HG2      VAL  47  -6.642  -1.591   3.484
  351    H    PHE  48           H        PHE  48  -6.723  -5.593   1.976
  352    HA   PHE  48           HA       PHE  48  -5.550  -6.947  -0.122
  353    HB2  PHE  48           2HB      PHE  48  -5.953  -8.477   1.500
  354    HB3  PHE  48           1HB      PHE  48  -7.392  -7.644   2.061
  355    HD1  PHE  48           1HD      PHE  48  -6.290  -9.695  -0.882
  356    HD2  PHE  48           2HD      PHE  48  -9.384  -8.749   1.883
  357    HE1  PHE  48           1HE      PHE  48  -7.703 -11.445  -1.870
  358    HE2  PHE  48           2HE      PHE  48 -10.800 -10.496   0.897
  359    HZ   PHE  48           HZ       PHE  48  -9.963 -11.848  -0.981
  360    H    GLU  49           H        GLU  49  -8.980  -6.186   0.314
  361    HA   GLU  49           HA       GLU  49  -9.882  -7.254  -2.121
  362    HB2  GLU  49           2HB      GLU  49 -11.055  -4.904  -0.622
  363    HB3  GLU  49           1HB      GLU  49 -11.898  -5.968  -1.743
  364    HG2  GLU  49           2HG      GLU  49 -11.539  -7.847  -0.212
  365    HG3  GLU  49           1HG      GLU  49 -10.728  -6.763   0.913
  366    H    ILE  50           H        ILE  50  -8.185  -4.349  -1.388
  367    HA   ILE  50           HA       ILE  50  -8.782  -2.962  -3.800
  368    HB   ILE  50           HB       ILE  50  -6.464  -2.620  -1.899
  369   HG12  ILE  50          2HG1      ILE  50  -9.088  -1.135  -2.156
  370   HG13  ILE  50          1HG1      ILE  50  -8.669  -2.267  -0.873
  371   HG21  ILE  50          1HG2      ILE  50  -6.414  -0.300  -2.922
  372   HG22  ILE  50          2HG2      ILE  50  -7.394  -0.972  -4.229
  373   HG23  ILE  50          3HG2      ILE  50  -5.786  -1.618  -3.906
  374   HD11  ILE  50          3HD1      ILE  50  -8.383  -0.107   0.016
  375   HD12  ILE  50          1HD1      ILE  50  -7.505   0.443  -1.413
  376   HD13  ILE  50          2HD1      ILE  50  -6.759  -0.719  -0.314
  377    H    ILE  51           H        ILE  51  -5.791  -4.819  -2.844
  378    HA   ILE  51           HA       ILE  51  -4.717  -4.618  -5.486
  379    HB   ILE  51           HB       ILE  51  -3.240  -6.673  -4.795
  380   HG12  ILE  51          2HG1      ILE  51  -4.954  -6.909  -2.695
  381   HG13  ILE  51          1HG1      ILE  51  -3.277  -7.443  -2.615
  382   HG21  ILE  51          1HG2      ILE  51  -3.036  -4.009  -3.384
  383   HG22  ILE  51          2HG2      ILE  51  -2.420  -4.421  -4.987
  384   HG23  ILE  51          3HG2      ILE  51  -1.732  -5.189  -3.552
  385   HD11  ILE  51          3HD1      ILE  51  -2.695  -5.252  -1.607
  386   HD12  ILE  51          1HD1      ILE  51  -3.808  -6.214  -0.637
  387   HD13  ILE  51          2HD1      ILE  51  -4.414  -4.851  -1.580
  388    H    ASP  52           H        ASP  52  -6.850  -6.823  -3.866
  389    HA   ASP  52           HA       ASP  52  -6.876  -8.692  -6.071
  390    HB2  ASP  52           2HB      ASP  52  -7.404  -9.191  -3.548
  391    HB3  ASP  52           1HB      ASP  52  -8.994  -8.571  -3.938
  392    H    GLN  53           H        GLN  53  -7.430  -6.929  -7.680
  393    HA   GLN  53           HA       GLN  53  -9.711  -5.331  -7.516
  394    HB2  GLN  53           2HB      GLN  53  -7.960  -4.940  -9.193
  395    HB3  GLN  53           1HB      GLN  53  -8.384  -6.447  -9.997
  396    HG2  GLN  53           2HG      GLN  53 -10.567  -5.564 -10.559
  397    HG3  GLN  53           1HG      GLN  53 -10.205  -4.072  -9.695
  398   HE21  GLN  53          1HE2      GLN  53 -10.544  -2.858 -11.549
  399   HE22  GLN  53          2HE2      GLN  53  -9.398  -2.821 -12.842
  400    H    ASP  54           H        ASP  54  -9.302  -8.594  -8.679
  401    HA   ASP  54           HA       ASP  54 -12.054  -8.856  -9.539
  402    HB2  ASP  54           2HB      ASP  54  -9.815 -10.859  -9.293
  403    HB3  ASP  54           1HB      ASP  54 -11.429 -11.282  -9.850
  404    H    LYS  55           H        LYS  55 -10.326  -9.358  -6.578
  405    HA   LYS  55           HA       LYS  55 -11.041  -9.930  -4.512
  406    HB2  LYS  55           2HB      LYS  55 -12.559  -8.164  -4.737
  407    HB3  LYS  55           1HB      LYS  55 -13.612  -9.068  -5.814
  408    HG2  LYS  55           2HG      LYS  55 -14.693  -8.852  -3.703
  409    HG3  LYS  55           1HG      LYS  55 -14.205 -10.533  -3.894
  410    HD2  LYS  55           2HD      LYS  55 -12.233 -10.092  -2.481
  411    HD3  LYS  55           1HD      LYS  55 -12.794  -8.432  -2.252
  412    HE2  LYS  55           2HE      LYS  55 -14.894  -9.320  -1.293
  413    HE3  LYS  55           1HE      LYS  55 -14.243 -10.949  -1.437
  414    HZ1  LYS  55           3HZ      LYS  55 -12.383 -10.185   0.014
  415    HZ2  LYS  55           1HZ      LYS  55 -13.893 -10.229   0.770
  416    HZ3  LYS  55           2HZ      LYS  55 -13.246  -8.747   0.277
  417    H    SER  56           H        SER  56 -10.286 -12.105  -5.279
  418    HA   SER  56           HA       SER  56 -12.361 -14.028  -4.556
  419    HB2  SER  56           2HB      SER  56 -11.547 -15.615  -6.317
  420    HB3  SER  56           1HB      SER  56 -12.360 -14.190  -6.960
  421    HG   SER  56           HG       SER  56 -10.172 -14.959  -7.829
  422    H    ASP  57           H        ASP  57  -9.874 -12.733  -3.426
  423    HA   ASP  57           HA       ASP  57  -8.539 -13.339  -1.684
  424    HB2  ASP  57           2HB      ASP  57 -10.165 -15.291  -1.403
  425    HB3  ASP  57           1HB      ASP  57  -8.993 -16.254  -2.293
  426    H    PHE  58           H        PHE  58  -8.077 -13.960  -4.853
  427    HA   PHE  58           HA       PHE  58  -5.214 -14.504  -4.430
  428    HB2  PHE  58           2HB      PHE  58  -7.014 -15.389  -6.687
  429    HB3  PHE  58           1HB      PHE  58  -5.259 -15.390  -6.822
  430    HD1  PHE  58           2HD      PHE  58  -3.914 -16.885  -5.412
  431    HD2  PHE  58           1HD      PHE  58  -8.164 -17.060  -5.446
  432    HE1  PHE  58           2HE      PHE  58  -3.824 -19.111  -4.371
  433    HE2  PHE  58           1HE      PHE  58  -8.084 -19.287  -4.404
  434    HZ   PHE  58           HZ       PHE  58  -5.912 -20.313  -3.868
  435    H    VAL  59           H        VAL  59  -3.954 -12.839  -4.945
  436    HA   VAL  59           HA       VAL  59  -5.102 -10.697  -6.598
  437    HB   VAL  59           HB       VAL  59  -2.889 -10.599  -4.562
  438   HG11  VAL  59          1HG1      VAL  59  -2.764  -8.969  -6.461
  439   HG12  VAL  59          2HG1      VAL  59  -2.767  -8.326  -4.823
  440   HG13  VAL  59          3HG1      VAL  59  -4.237  -8.260  -5.795
  441   HG21  VAL  59          3HG2      VAL  59  -5.041 -10.994  -3.528
  442   HG22  VAL  59          1HG2      VAL  59  -5.713  -9.621  -4.403
  443   HG23  VAL  59          2HG2      VAL  59  -4.467  -9.362  -3.182
  444    H    GLU  60           H        GLU  60  -4.479 -11.259  -8.662
  445    HA   GLU  60           HA       GLU  60  -1.689 -11.975  -9.144
  446    HB2  GLU  60           2HB      GLU  60  -4.095 -11.986 -10.962
  447    HB3  GLU  60           1HB      GLU  60  -2.468 -12.420 -11.474
  448    HG2  GLU  60           2HG      GLU  60  -2.443 -14.234  -9.833
  449    HG3  GLU  60           1HG      GLU  60  -4.083 -13.808  -9.348
  450    H    GLU  61           H        GLU  61  -0.898 -11.049 -11.422
  451    HA   GLU  61           HA       GLU  61  -0.385  -8.320 -10.836
  452    HB2  GLU  61           2HB      GLU  61   1.434  -9.413 -11.762
  453    HB3  GLU  61           1HB      GLU  61   0.465 -10.185 -13.007
  454    HG2  GLU  61           2HG      GLU  61   0.490  -8.349 -14.368
  455    HG3  GLU  61           1HG      GLU  61   0.720  -7.217 -13.039
  456    H    ASP  62           H        ASP  62  -2.379  -9.905 -13.323
  457    HA   ASP  62           HA       ASP  62  -2.900  -7.609 -14.851
  458    HB2  ASP  62           2HB      ASP  62  -4.917  -8.754 -15.655
  459    HB3  ASP  62           1HB      ASP  62  -3.532  -9.844 -15.643
  460    H    GLU  63           H        GLU  63  -4.253  -8.801 -11.879
  461    HA   GLU  63           HA       GLU  63  -6.285  -6.851 -11.587
  462    HB2  GLU  63           2HB      GLU  63  -4.742  -8.415  -9.514
  463    HB3  GLU  63           1HB      GLU  63  -6.190  -7.465  -9.190
  464    HG2  GLU  63           2HG      GLU  63  -7.427  -8.879 -10.767
  465    HG3  GLU  63           1HG      GLU  63  -5.985  -9.873 -10.970
  466    H    LEU  64           H        LEU  64  -3.016  -7.107 -10.220
  467    HA   LEU  64           HA       LEU  64  -3.064  -4.697  -8.851
  468    HB2  LEU  64           2HB      LEU  64  -0.939  -6.548  -9.740
  469    HB3  LEU  64           1HB      LEU  64  -0.475  -4.960  -9.153
  470    HG   LEU  64           HG       LEU  64  -2.410  -6.196  -7.402
  471   HD11  LEU  64          1HD1      LEU  64  -0.907  -7.934  -6.531
  472   HD12  LEU  64          2HD1      LEU  64   0.150  -7.681  -7.917
  473   HD13  LEU  64          3HD1      LEU  64  -1.490  -8.274  -8.157
  474   HD21  LEU  64          3HD2      LEU  64  -0.754  -5.593  -5.734
  475   HD22  LEU  64          1HD2      LEU  64  -1.010  -4.263  -6.865
  476   HD23  LEU  64          2HD2      LEU  64   0.429  -5.276  -7.001
  477    H    LYS  65           H        LYS  65  -2.616  -5.292 -12.207
  478    HA   LYS  65           HA       LYS  65  -1.317  -2.877 -12.808
  479    HB2  LYS  65           2HB      LYS  65  -1.928  -5.006 -14.302
  480    HB3  LYS  65           1HB      LYS  65  -3.291  -3.979 -14.732
  481    HG2  LYS  65           2HG      LYS  65  -1.911  -3.207 -16.301
  482    HG3  LYS  65           1HG      LYS  65  -1.283  -2.219 -14.987
  483    HD2  LYS  65           2HD      LYS  65  -0.100  -4.634 -16.279
  484    HD3  LYS  65           1HD      LYS  65   0.634  -3.090 -15.866
  485    HE2  LYS  65           2HE      LYS  65   0.600  -3.705 -13.506
  486    HE3  LYS  65           1HE      LYS  65  -0.090  -5.273 -13.936
  487    HZ1  LYS  65           3HZ      LYS  65   2.227  -5.608 -13.735
  488    HZ2  LYS  65           1HZ      LYS  65   2.588  -4.219 -14.642
  489    HZ3  LYS  65           2HZ      LYS  65   1.914  -5.571 -15.395
  490    H    LEU  66           H        LEU  66  -4.740  -3.788 -12.701
  491    HA   LEU  66           HA       LEU  66  -5.444  -0.972 -13.110
  492    HB2  LEU  66           2HB      LEU  66  -7.206  -3.401 -13.377
  493    HB3  LEU  66           1HB      LEU  66  -7.609  -1.752 -13.834
  494    HG   LEU  66           HG       LEU  66  -5.562  -3.550 -15.120
  495   HD11  LEU  66          1HD1      LEU  66  -7.834  -3.982 -15.821
  496   HD12  LEU  66          2HD1      LEU  66  -6.932  -3.209 -17.122
  497   HD13  LEU  66          3HD1      LEU  66  -8.079  -2.270 -16.166
  498   HD21  LEU  66          3HD2      LEU  66  -6.140  -0.659 -15.727
  499   HD22  LEU  66          1HD2      LEU  66  -5.000  -1.704 -16.573
  500   HD23  LEU  66          2HD2      LEU  66  -4.706  -1.254 -14.887
  501    H    PHE  67           H        PHE  67  -4.982  -2.983 -10.590
  502    HA   PHE  67           HA       PHE  67  -7.339  -2.815  -9.064
  503    HB2  PHE  67           2HB      PHE  67  -6.143  -3.786  -7.375
  504    HB3  PHE  67           1HB      PHE  67  -5.021  -4.101  -8.686
  505    HD1  PHE  67           1HD      PHE  67  -2.931  -2.803  -8.860
  506    HD2  PHE  67           2HD      PHE  67  -5.614  -2.277  -5.616
  507    HE1  PHE  67           1HE      PHE  67  -1.154  -1.688  -7.582
  508    HE2  PHE  67           2HE      PHE  67  -3.845  -1.148  -4.329
  509    HZ   PHE  67           HZ       PHE  67  -1.611  -0.854  -5.312
  510    H    LEU  68           H        LEU  68  -4.771  -0.593  -9.684
  511    HA   LEU  68           HA       LEU  68  -5.213   1.246  -7.591
  512    HB2  LEU  68           2HB      LEU  68  -4.147   1.989 -10.298
  513    HB3  LEU  68           1HB      LEU  68  -3.708   2.651  -8.733
  514    HG   LEU  68           HG       LEU  68  -3.086  -0.141  -8.764
  515   HD11  LEU  68          1HD1      LEU  68  -1.432  -0.196 -10.534
  516   HD12  LEU  68          2HD1      LEU  68  -1.874   1.437 -11.026
  517   HD13  LEU  68          3HD1      LEU  68  -3.035   0.118 -11.211
  518   HD21  LEU  68          3HD2      LEU  68  -1.277   2.270  -8.758
  519   HD22  LEU  68          1HD2      LEU  68  -0.882   0.644  -8.196
  520   HD23  LEU  68          2HD2      LEU  68  -2.084   1.609  -7.335
  521    H    GLN  69           H        GLN  69  -6.338   1.057 -10.928
  522    HA   GLN  69           HA       GLN  69  -7.817   3.502 -10.786
  523    HB2  GLN  69           2HB      GLN  69  -8.039   1.265 -12.810
  524    HB3  GLN  69           1HB      GLN  69  -8.638   2.908 -13.001
  525    HG2  GLN  69           2HG      GLN  69  -6.276   3.703 -12.793
  526    HG3  GLN  69           1HG      GLN  69  -5.770   2.015 -12.839
  527   HE21  GLN  69          1HE2      GLN  69  -6.006   0.852 -14.757
  528   HE22  GLN  69          2HE2      GLN  69  -6.221   1.637 -16.281
  529    H    ASN  70           H        ASN  70  -8.288   0.428  -9.600
  530    HA   ASN  70           HA       ASN  70 -11.205   0.606  -9.554
  531    HB2  ASN  70           2HB      ASN  70 -10.167  -1.598  -9.881
  532    HB3  ASN  70           1HB      ASN  70  -9.300  -1.428  -8.361
  533   HD21  ASN  70          1HD2      ASN  70 -12.651  -0.476  -8.872
  534   HD22  ASN  70          2HD2      ASN  70 -13.331  -1.678  -7.834
  535    H    PHE  71           H        PHE  71  -8.405   1.040  -7.533
  536    HA   PHE  71           HA       PHE  71  -9.785   1.406  -5.066
  537    HB2  PHE  71           2HB      PHE  71  -7.411   0.737  -5.229
  538    HB3  PHE  71           1HB      PHE  71  -7.023   2.310  -5.907
  539    HD1  PHE  71           1HD      PHE  71  -9.428   1.898  -3.146
  540    HD2  PHE  71           2HD      PHE  71  -5.425   2.853  -4.231
  541    HE1  PHE  71           1HE      PHE  71  -9.026   2.773  -0.885
  542    HE2  PHE  71           2HE      PHE  71  -5.018   3.726  -1.972
  543    HZ   PHE  71           HZ       PHE  71  -6.818   3.688  -0.295
  544    H    SER  72           H        SER  72  -8.299   3.667  -7.396
  545    HA   SER  72           HA       SER  72 -10.175   5.731  -6.514
  546    HB2  SER  72           2HB      SER  72  -7.178   6.127  -6.675
  547    HB3  SER  72           1HB      SER  72  -8.358   7.405  -6.384
  548    HG   SER  72           HG       SER  72  -8.789   5.397  -4.668
  549    H    ALA  73           H        ALA  73 -10.494   7.421  -8.034
  550    HA   ALA  73           HA       ALA  73 -10.426   6.416 -10.728
  551    HB1  ALA  73           1HB      ALA  73 -11.485   9.039  -9.690
  552    HB2  ALA  73           2HB      ALA  73 -12.406   7.540  -9.810
  553    HB3  ALA  73           3HB      ALA  73 -11.811   8.329 -11.270
  554    H    GLY  74           H        GLY  74  -8.537   8.614  -8.869
  555    HA2  GLY  74           2HA      GLY  74  -7.349   9.783 -11.282
  556    HA3  GLY  74           1HA      GLY  74  -7.083  10.327  -9.632
  557    H    ALA  75           H        ALA  75  -6.946   6.952 -10.406
  558    HA   ALA  75           HA       ALA  75  -4.123   6.968  -9.664
  559    HB1  ALA  75           1HB      ALA  75  -4.374   4.596  -9.278
  560    HB2  ALA  75           2HB      ALA  75  -6.006   4.635  -9.947
  561    HB3  ALA  75           3HB      ALA  75  -5.649   5.483  -8.443
  562    H    ARG  76           H        ARG  76  -2.550   5.872 -10.853
  563    HA   ARG  76           HA       ARG  76  -3.151   5.628 -13.702
  564    HB2  ARG  76           2HB      ARG  76  -0.439   5.961 -12.415
  565    HB3  ARG  76           1HB      ARG  76  -0.827   6.102 -14.121
  566    HG2  ARG  76           2HG      ARG  76  -1.714   7.977 -11.937
  567    HG3  ARG  76           1HG      ARG  76  -0.461   8.285 -13.139
  568    HD2  ARG  76           2HD      ARG  76  -3.390   7.829 -13.704
  569    HD3  ARG  76           1HD      ARG  76  -2.562   9.385 -13.732
  570    HE   ARG  76           HE       ARG  76  -1.129   8.042 -15.519
  571   HH11  ARG  76          1HH1      ARG  76  -4.595   8.233 -15.088
  572   HH12  ARG  76          2HH1      ARG  76  -4.945   8.008 -16.771
  573   HH21  ARG  76          1HH2      ARG  76  -1.581   7.749 -17.740
  574   HH22  ARG  76          2HH2      ARG  76  -3.231   7.728 -18.282
  575    H    ALA  77           H        ALA  77  -2.714   3.714 -14.758
  576    HA   ALA  77           HA       ALA  77  -2.163   1.394 -13.141
  577    HB1  ALA  77           1HB      ALA  77  -2.478   0.108 -15.170
  578    HB2  ALA  77           2HB      ALA  77  -2.434   1.582 -16.139
  579    HB3  ALA  77           3HB      ALA  77  -3.765   1.307 -15.018
  580    H    LEU  78           H        LEU  78  -0.256   0.520 -12.770
  581    HA   LEU  78           HA       LEU  78   2.131   1.751 -13.783
  582    HB2  LEU  78           2HB      LEU  78   1.608  -0.546 -11.919
  583    HB3  LEU  78           1HB      LEU  78   3.226  -0.164 -12.459
  584    HG   LEU  78           HG       LEU  78   3.049   2.066 -11.424
  585   HD11  LEU  78          1HD1      LEU  78   0.637   2.384 -11.552
  586   HD12  LEU  78          2HD1      LEU  78   1.215   2.566  -9.895
  587   HD13  LEU  78          3HD1      LEU  78   0.396   1.083 -10.386
  588   HD21  LEU  78          3HD2      LEU  78   3.142   1.299  -9.099
  589   HD22  LEU  78          1HD2      LEU  78   4.032   0.229 -10.183
  590   HD23  LEU  78          2HD2      LEU  78   2.440  -0.243  -9.589
  591    H    SER  79           H        SER  79   3.762   0.764 -15.004
  592    HA   SER  79           HA       SER  79   3.203  -1.852 -16.166
  593    HB2  SER  79           2HB      SER  79   3.886   0.580 -17.839
  594    HB3  SER  79           1HB      SER  79   3.650  -1.062 -18.438
  595    HG   SER  79           HG       SER  79   1.475  -0.772 -17.315
  596    H    ASP  80           H        ASP  80   5.100  -2.828 -17.135
  597    HA   ASP  80           HA       ASP  80   7.291  -3.385 -17.247
  598    HB2  ASP  80           2HB      ASP  80   7.611  -0.386 -17.072
  599    HB3  ASP  80           1HB      ASP  80   8.970  -1.480 -17.296
  600    H    ALA  81           H        ALA  81   9.289  -1.538 -15.723
  601    HA   ALA  81           HA       ALA  81   9.667  -3.435 -13.703
  602    HB1  ALA  81           1HB      ALA  81  11.488  -2.171 -14.738
  603    HB2  ALA  81           2HB      ALA  81  11.521  -2.057 -12.979
  604    HB3  ALA  81           3HB      ALA  81  10.916  -0.707 -13.938
  605    H    GLU  82           H        GLU  82   7.725  -0.605 -13.709
  606    HA   GLU  82           HA       GLU  82   7.919   0.198 -11.026
  607    HB2  GLU  82           2HB      GLU  82   5.333   0.333 -12.548
  608    HB3  GLU  82           1HB      GLU  82   5.989   1.479 -11.386
  609    HG2  GLU  82           2HG      GLU  82   6.917   0.997 -14.190
  610    HG3  GLU  82           1HG      GLU  82   6.083   2.424 -13.573
  611    H    THR  83           H        THR  83   5.569  -1.860 -12.686
  612    HA   THR  83           HA       THR  83   4.217  -2.663 -10.341
  613    HB   THR  83           HB       THR  83   4.364  -4.472 -12.722
  614    HG1  THR  83           1HG      THR  83   3.035  -1.950 -12.576
  615   HG21  THR  83          3HG2      THR  83   2.978  -5.134 -10.839
  616   HG22  THR  83          1HG2      THR  83   1.957  -4.709 -12.214
  617   HG23  THR  83          2HG2      THR  83   2.149  -3.577 -10.874
  618    H    LYS  84           H        LYS  84   7.015  -3.954 -12.052
  619    HA   LYS  84           HA       LYS  84   7.180  -6.454 -10.822
  620    HB2  LYS  84           2HB      LYS  84   9.524  -4.733 -11.630
  621    HB3  LYS  84           1HB      LYS  84   9.484  -6.477 -11.495
  622    HG2  LYS  84           2HG      LYS  84   7.906  -4.898 -13.504
  623    HG3  LYS  84           1HG      LYS  84   9.473  -5.636 -13.818
  624    HD2  LYS  84           2HD      LYS  84   8.132  -7.295 -14.613
  625    HD3  LYS  84           1HD      LYS  84   8.206  -7.794 -12.924
  626    HE2  LYS  84           2HE      LYS  84   6.084  -6.741 -12.475
  627    HE3  LYS  84           1HE      LYS  84   6.031  -6.075 -14.105
  628    HZ1  LYS  84           3HZ      LYS  84   5.972  -8.961 -13.415
  629    HZ2  LYS  84           1HZ      LYS  84   5.921  -8.321 -14.981
  630    HZ3  LYS  84           2HZ      LYS  84   4.642  -8.032 -13.909
  631    H    VAL  85           H        VAL  85   8.946  -3.471  -9.996
  632    HA   VAL  85           HA       VAL  85  10.032  -4.519  -7.595
  633    HB   VAL  85           HB       VAL  85   9.686  -1.626  -8.402
  634   HG11  VAL  85          1HG1      VAL  85  10.137  -1.887  -6.019
  635   HG12  VAL  85          2HG1      VAL  85  11.529  -1.196  -6.850
  636   HG13  VAL  85          3HG1      VAL  85  11.536  -2.896  -6.385
  637   HG21  VAL  85          3HG2      VAL  85  12.000  -3.513  -8.829
  638   HG22  VAL  85          1HG2      VAL  85  12.000  -1.790  -9.201
  639   HG23  VAL  85          2HG2      VAL  85  10.925  -2.881 -10.078
  640    H    PHE  86           H        PHE  86   7.170  -2.607  -8.340
  641    HA   PHE  86           HA       PHE  86   6.369  -1.993  -5.734
  642    HB2  PHE  86           2HB      PHE  86   5.297  -0.934  -7.603
  643    HB3  PHE  86           1HB      PHE  86   4.751  -2.472  -8.249
  644    HD1  PHE  86           1HD      PHE  86   4.214   0.101  -5.709
  645    HD2  PHE  86           2HD      PHE  86   2.797  -3.574  -7.313
  646    HE1  PHE  86           1HE      PHE  86   2.106   0.386  -4.479
  647    HE2  PHE  86           2HE      PHE  86   0.685  -3.296  -6.084
  648    HZ   PHE  86           HZ       PHE  86   0.337  -1.315  -4.667
  649    H    LEU  87           H        LEU  87   5.738  -4.863  -7.723
  650    HA   LEU  87           HA       LEU  87   4.205  -6.210  -5.743
  651    HB2  LEU  87           2HB      LEU  87   5.777  -7.317  -8.074
  652    HB3  LEU  87           1HB      LEU  87   4.659  -8.242  -7.092
  653    HG   LEU  87           HG       LEU  87   3.905  -5.875  -8.806
  654   HD11  LEU  87          1HD1      LEU  87   4.584  -7.791 -10.149
  655   HD12  LEU  87          2HD1      LEU  87   2.842  -7.528 -10.258
  656   HD13  LEU  87          3HD1      LEU  87   3.478  -8.826  -9.247
  657   HD21  LEU  87          3HD2      LEU  87   1.615  -6.511  -8.333
  658   HD22  LEU  87          1HD2      LEU  87   2.466  -6.175  -6.828
  659   HD23  LEU  87          2HD2      LEU  87   2.166  -7.842  -7.319
  660    H    LYS  88           H        LYS  88   7.607  -6.440  -6.754
  661    HA   LYS  88           HA       LYS  88   8.380  -8.501  -5.034
  662    HB2  LYS  88           2HB      LYS  88   9.984  -6.240  -6.221
  663    HB3  LYS  88           1HB      LYS  88  10.703  -7.578  -5.338
  664    HG2  LYS  88           2HG      LYS  88   9.009  -7.937  -7.790
  665    HG3  LYS  88           1HG      LYS  88  10.767  -7.786  -7.820
  666    HD2  LYS  88           2HD      LYS  88  10.878  -9.725  -6.251
  667    HD3  LYS  88           1HD      LYS  88   9.137  -9.928  -6.465
  668    HE2  LYS  88           2HE      LYS  88  10.361 -11.433  -7.931
  669    HE3  LYS  88           1HE      LYS  88   9.470 -10.237  -8.869
  670    HZ1  LYS  88           3HZ      LYS  88  12.380 -10.224  -8.280
  671    HZ2  LYS  88           1HZ      LYS  88  11.559  -8.959  -9.047
  672    HZ3  LYS  88           2HZ      LYS  88  11.649 -10.475  -9.782
  673    H    ALA  89           H        ALA  89   7.836  -5.155  -4.359
  674    HA   ALA  89           HA       ALA  89   9.314  -4.806  -2.023
  675    HB1  ALA  89           1HB      ALA  89   8.101  -3.001  -3.164
  676    HB2  ALA  89           2HB      ALA  89   7.713  -3.072  -1.446
  677    HB3  ALA  89           3HB      ALA  89   6.574  -3.705  -2.634
  678    H    GLY  90           H        GLY  90   6.335  -6.517  -2.610
  679    HA2  GLY  90           2HA      GLY  90   6.287  -7.314   0.236
  680    HA3  GLY  90           1HA      GLY  90   4.839  -7.166  -0.753
  681    H    ASP  91           H        ASP  91   5.464  -8.418  -3.040
  682    HA   ASP  91           HA       ASP  91   5.182 -11.159  -2.458
  683    HB2  ASP  91           2HB      ASP  91   4.445 -10.116  -4.577
  684    HB3  ASP  91           1HB      ASP  91   6.134  -9.902  -5.040
  685    H    SER  92           H        SER  92   6.745 -12.248  -1.430
  686    HA   SER  92           HA       SER  92   9.543 -11.565  -1.966
  687    HB2  SER  92           2HB      SER  92   8.418 -13.343   0.205
  688    HB3  SER  92           1HB      SER  92  10.038 -12.652   0.126
  689    HG   SER  92           HG       SER  92   7.671 -11.079   0.209
  690    H    ASP  93           H        ASP  93   7.191 -13.861  -2.719
  691    HA   ASP  93           HA       ASP  93   8.962 -16.097  -3.133
  692    HB2  ASP  93           2HB      ASP  93   6.407 -15.961  -4.644
  693    HB3  ASP  93           1HB      ASP  93   7.105 -17.298  -3.743
  694    H    GLY  94           H        GLY  94   7.996 -13.301  -4.850
  695    HA2  GLY  94           2HA      GLY  94   8.636 -12.458  -6.894
  696    HA3  GLY  94           1HA      GLY  94   9.712 -13.838  -7.076
  697    H    ASP  95           H        ASP  95   6.334 -14.206  -6.369
  698    HA   ASP  95           HA       ASP  95   6.129 -15.887  -8.723
  699    HB2  ASP  95           2HB      ASP  95   4.271 -16.917  -7.713
  700    HB3  ASP  95           1HB      ASP  95   5.375 -16.599  -6.385
  701    H    GLY  96           H        GLY  96   5.395 -12.707  -7.881
  702    HA2  GLY  96           2HA      GLY  96   4.704 -11.133  -9.492
  703    HA3  GLY  96           1HA      GLY  96   4.041 -12.442 -10.460
  704    H    LYS  97           H        LYS  97   3.373 -12.058  -7.077
  705    HA   LYS  97           HA       LYS  97   0.677 -11.008  -7.604
  706    HB2  LYS  97           2HB      LYS  97  -0.376 -12.940  -7.127
  707    HB3  LYS  97           1HB      LYS  97   1.180 -13.749  -7.250
  708    HG2  LYS  97           2HG      LYS  97   1.538 -13.278  -4.808
  709    HG3  LYS  97           1HG      LYS  97  -0.125 -12.677  -4.758
  710    HD2  LYS  97           2HD      LYS  97   0.780 -15.483  -5.387
  711    HD3  LYS  97           1HD      LYS  97  -0.151 -14.941  -3.993
  712    HE2  LYS  97           2HE      LYS  97  -1.836 -15.795  -5.277
  713    HE3  LYS  97           1HE      LYS  97  -1.828 -14.134  -5.864
  714    HZ1  LYS  97           3HZ      LYS  97  -1.896 -15.648  -7.708
  715    HZ2  LYS  97           1HZ      LYS  97  -0.523 -16.465  -7.157
  716    HZ3  LYS  97           2HZ      LYS  97  -0.395 -14.873  -7.704
  717    H    ILE  98           H        ILE  98  -0.304 -10.184  -5.741
  718    HA   ILE  98           HA       ILE  98   1.585  -9.689  -3.573
  719    HB   ILE  98           HB       ILE  98  -0.894  -8.252  -4.445
  720   HG12  ILE  98          2HG1      ILE  98   1.156  -7.593  -5.556
  721   HG13  ILE  98          1HG1      ILE  98   0.671  -6.312  -4.455
  722   HG21  ILE  98          1HG2      ILE  98  -0.691  -6.812  -2.483
  723   HG22  ILE  98          2HG2      ILE  98   0.599  -7.846  -1.866
  724   HG23  ILE  98          3HG2      ILE  98  -1.039  -8.482  -2.032
  725   HD11  ILE  98          3HD1      ILE  98   2.880  -8.309  -4.093
  726   HD12  ILE  98          1HD1      ILE  98   2.295  -7.261  -2.799
  727   HD13  ILE  98          2HD1      ILE  98   3.005  -6.559  -4.250
  728    H    GLY  99           H        GLY  99   1.420 -11.556  -2.381
  729    HA2  GLY  99           2HA      GLY  99  -1.010 -12.459  -1.253
  730    HA3  GLY  99           1HA      GLY  99   0.581 -12.588  -0.494
  731    H    VAL 100           H        VAL 100  -2.152 -11.651   0.510
  732    HA   VAL 100           HA       VAL 100  -2.064  -8.855   0.793
  733    HB   VAL 100           HB       VAL 100  -3.428 -10.932   2.473
  734   HG11  VAL 100          1HG1      VAL 100  -3.215  -8.838   3.694
  735   HG12  VAL 100          2HG1      VAL 100  -4.892  -9.141   3.238
  736   HG13  VAL 100          3HG1      VAL 100  -3.929  -7.969   2.335
  737   HG21  VAL 100          3HG2      VAL 100  -4.378  -9.273   0.155
  738   HG22  VAL 100          1HG2      VAL 100  -5.377 -10.379   1.104
  739   HG23  VAL 100          2HG2      VAL 100  -4.041 -11.003   0.138
  740    H    ASP 101           H        ASP 101  -0.954 -11.467   2.864
  741    HA   ASP 101           HA       ASP 101   0.153  -9.907   4.924
  742    HB2  ASP 101           2HB      ASP 101   1.453 -11.890   5.489
  743    HB3  ASP 101           1HB      ASP 101  -0.188 -12.363   5.063
  744    H    GLU 102           H        GLU 102   1.366 -10.902   1.770
  745    HA   GLU 102           HA       GLU 102   4.006  -9.936   2.081
  746    HB2  GLU 102           2HB      GLU 102   2.418 -10.158  -0.499
  747    HB3  GLU 102           1HB      GLU 102   4.169 -10.051  -0.353
  748    HG2  GLU 102           2HG      GLU 102   3.875 -12.226   1.088
  749    HG3  GLU 102           1HG      GLU 102   2.360 -12.352   0.203
  750    H    PHE 103           H        PHE 103   1.012  -8.453   0.924
  751    HA   PHE 103           HA       PHE 103   2.116  -5.982   0.114
  752    HB2  PHE 103           2HB      PHE 103  -0.253  -6.965  -0.314
  753    HB3  PHE 103           1HB      PHE 103  -0.665  -6.243   1.235
  754    HD1  PHE 103           1HD      PHE 103   0.887  -5.361  -2.033
  755    HD2  PHE 103           2HD      PHE 103  -1.441  -4.067   1.281
  756    HE1  PHE 103           1HE      PHE 103   0.492  -3.212  -3.159
  757    HE2  PHE 103           2HE      PHE 103  -1.844  -1.914   0.158
  758    HZ   PHE 103           HZ       PHE 103  -0.877  -1.484  -2.065
  759    H    GLY 104           H        GLY 104   0.605  -7.008   3.167
  760    HA2  GLY 104           2HA      GLY 104   0.851  -4.601   4.565
  761    HA3  GLY 104           1HA      GLY 104   0.848  -6.197   5.304
  762    H    ALA 105           H        ALA 105   3.194  -7.145   3.979
  763    HA   ALA 105           HA       ALA 105   5.158  -6.195   5.792
  764    HB1  ALA 105           1HB      ALA 105   5.102  -8.506   4.980
  765    HB2  ALA 105           2HB      ALA 105   6.662  -7.745   4.671
  766    HB3  ALA 105           3HB      ALA 105   5.502  -7.944   3.358
  767    H    MET 106           H        MET 106   4.283  -5.238   2.555
  768    HA   MET 106           HA       MET 106   6.795  -3.814   2.186
  769    HB2  MET 106           2HB      MET 106   6.162  -3.382   0.024
  770    HB3  MET 106           1HB      MET 106   5.294  -4.880   0.308
  771    HG2  MET 106           2HG      MET 106   3.240  -3.744   0.571
  772    HG3  MET 106           1HG      MET 106   4.035  -2.177   0.677
  773    HE1  MET 106           3HE      MET 106   4.515  -5.203  -1.859
  774    HE2  MET 106           1HE      MET 106   3.489  -4.645  -3.181
  775    HE3  MET 106           2HE      MET 106   2.774  -5.045  -1.621
  776    H    ILE 107           H        ILE 107   3.638  -3.282   3.387
  777    HA   ILE 107           HA       ILE 107   3.665  -0.414   3.140
  778    HB   ILE 107           HB       ILE 107   1.860  -2.307   4.666
  779   HG12  ILE 107          2HG1      ILE 107   1.364  -0.697   2.154
  780   HG13  ILE 107          1HG1      ILE 107   1.732  -2.420   2.191
  781   HG21  ILE 107          1HG2      ILE 107   1.637   0.670   4.290
  782   HG22  ILE 107          2HG2      ILE 107   1.882  -0.204   5.803
  783   HG23  ILE 107          3HG2      ILE 107   0.361  -0.370   4.927
  784   HD11  ILE 107          3HD1      ILE 107  -0.307  -2.824   3.466
  785   HD12  ILE 107          1HD1      ILE 107  -0.645  -2.033   1.926
  786   HD13  ILE 107          2HD1      ILE 107  -0.674  -1.099   3.421
  787    H    LYS 108           H        LYS 108   4.130  -2.839   5.613
  788    HA   LYS 108           HA       LYS 108   4.745  -0.890   7.647
  789    HB2  LYS 108           2HB      LYS 108   3.508  -2.910   8.206
  790    HB3  LYS 108           1HB      LYS 108   4.821  -3.918   7.611
  791    HG2  LYS 108           2HG      LYS 108   5.275  -1.997   9.865
  792    HG3  LYS 108           1HG      LYS 108   4.526  -3.567  10.156
  793    HD2  LYS 108           2HD      LYS 108   7.170  -3.189   8.763
  794    HD3  LYS 108           1HD      LYS 108   7.009  -3.510  10.493
  795    HE2  LYS 108           2HE      LYS 108   5.924  -5.632  10.012
  796    HE3  LYS 108           1HE      LYS 108   5.995  -5.300   8.283
  797    HZ1  LYS 108           3HZ      LYS 108   7.769  -6.777   8.953
  798    HZ2  LYS 108           1HZ      LYS 108   8.333  -5.645  10.076
  799    HZ3  LYS 108           2HZ      LYS 108   8.411  -5.305   8.416
  800    H    ALA 109           H        ALA 109   6.404  -2.919   5.364
  801    HA   ALA 109           HA       ALA 109   8.573  -3.308   4.867
  802    HB1  ALA 109           1HB      ALA 109   9.016  -0.622   6.168
  803    HB2  ALA 109           2HB      ALA 109   8.545  -0.886   4.489
  804    HB3  ALA 109           3HB      ALA 109  10.118  -1.442   5.061
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1 -16.194  11.720  -2.713
    2    H2   MET   1           2HT      MET   1 -16.528  11.020  -4.215
    3    H3   MET   1           3HT      MET   1 -15.047  11.796  -3.956
    4    HA   MET   1           HA       MET   1 -14.774   9.415  -3.903
    5    HB2  MET   1           2HB      MET   1 -13.361  10.874  -2.480
    6    HB3  MET   1           1HB      MET   1 -14.513  10.677  -1.168
    7    HG2  MET   1           2HG      MET   1 -14.054   8.275  -1.134
    8    HG3  MET   1           1HG      MET   1 -12.882   8.491  -2.432
    9    HE1  MET   1           2HE      MET   1 -12.391  10.239   1.813
   10    HE2  MET   1           3HE      MET   1 -13.791   9.310   1.277
   11    HE3  MET   1           1HE      MET   1 -13.508  10.927   0.636
   12    H    ALA   2           H        ALA   2 -16.391   7.969  -4.110
   13    HA   ALA   2           HA       ALA   2 -18.511   7.777  -2.155
   14    HB1  ALA   2           1HB      ALA   2 -19.428   6.065  -3.629
   15    HB2  ALA   2           2HB      ALA   2 -17.950   6.088  -4.591
   16    HB3  ALA   2           3HB      ALA   2 -18.989   7.511  -4.537
   17    H    PHE   3           H        PHE   3 -16.113   7.273  -0.918
   18    HA   PHE   3           HA       PHE   3 -16.316   4.393  -0.356
   19    HB2  PHE   3           2HB      PHE   3 -13.857   6.153  -0.204
   20    HB3  PHE   3           1HB      PHE   3 -13.931   4.495   0.378
   21    HD1  PHE   3           2HD      PHE   3 -14.259   2.639  -1.242
   22    HD2  PHE   3           1HD      PHE   3 -13.556   6.640  -2.500
   23    HE1  PHE   3           2HE      PHE   3 -13.637   1.825  -3.479
   24    HE2  PHE   3           1HE      PHE   3 -12.936   5.833  -4.739
   25    HZ   PHE   3           HZ       PHE   3 -12.975   3.422  -5.230
   26    H    ALA   4           H        ALA   4 -15.219   4.059   1.989
   27    HA   ALA   4           HA       ALA   4 -17.052   5.317   3.759
   28    HB1  ALA   4           1HB      ALA   4 -14.623   3.675   4.461
   29    HB2  ALA   4           2HB      ALA   4 -16.211   3.017   4.068
   30    HB3  ALA   4           3HB      ALA   4 -16.004   4.021   5.501
   31    H    GLY   5           H        GLY   5 -13.741   5.930   2.868
   32    HA2  GLY   5           2HA      GLY   5 -12.853   8.175   3.191
   33    HA3  GLY   5           1HA      GLY   5 -13.716   8.226   4.727
   34    H    ILE   6           H        ILE   6 -12.525   5.189   4.391
   35    HA   ILE   6           HA       ILE   6 -10.524   5.341   6.336
   36    HB   ILE   6           HB       ILE   6 -10.918   3.320   4.119
   37   HG12  ILE   6          2HG1      ILE   6 -11.670   3.224   7.049
   38   HG13  ILE   6          1HG1      ILE   6 -12.788   3.534   5.724
   39   HG21  ILE   6          1HG2      ILE   6  -9.505   1.811   5.430
   40   HG22  ILE   6          2HG2      ILE   6  -9.183   3.110   6.577
   41   HG23  ILE   6          3HG2      ILE   6  -8.616   3.244   4.913
   42   HD11  ILE   6          3HD1      ILE   6 -11.237   0.999   6.194
   43   HD12  ILE   6          1HD1      ILE   6 -12.307   1.302   4.826
   44   HD13  ILE   6          2HD1      ILE   6 -12.962   1.245   6.461
   45    H    LEU   7           H        LEU   7 -10.389   5.465   2.831
   46    HA   LEU   7           HA       LEU   7  -7.631   6.428   3.028
   47    HB2  LEU   7           2HB      LEU   7  -7.212   5.691   0.799
   48    HB3  LEU   7           1HB      LEU   7  -7.890   4.353   1.692
   49    HG   LEU   7           HG       LEU   7  -8.826   4.180  -0.437
   50   HD11  LEU   7          1HD1      LEU   7 -10.524   3.987   1.314
   51   HD12  LEU   7          2HD1      LEU   7 -11.181   4.534  -0.227
   52   HD13  LEU   7          3HD1      LEU   7 -10.932   5.689   1.081
   53   HD21  LEU   7          3HD2      LEU   7  -9.396   7.133  -0.405
   54   HD22  LEU   7          1HD2      LEU   7  -9.858   6.012  -1.685
   55   HD23  LEU   7          2HD2      LEU   7  -8.153   6.308  -1.346
   56    H    ASN   8           H        ASN   8  -7.040   8.248   1.835
   57    HA   ASN   8           HA       ASN   8  -9.289  10.027   1.201
   58    HB2  ASN   8           2HB      ASN   8  -6.353  10.660   1.609
   59    HB3  ASN   8           1HB      ASN   8  -7.619  11.842   1.317
   60   HD21  ASN   8          1HD2      ASN   8  -9.534  10.384   3.026
   61   HD22  ASN   8          2HD2      ASN   8  -9.041  10.720   4.647
   62    H    ASP   9           H        ASP   9  -9.866   9.862  -0.852
   63    HA   ASP   9           HA       ASP   9  -8.494   8.797  -2.980
   64    HB2  ASP   9           2HB      ASP   9 -10.851   9.247  -3.140
   65    HB3  ASP   9           1HB      ASP   9 -10.587  10.977  -2.965
   66    H    ALA  10           H        ALA  10  -8.437  12.112  -1.827
   67    HA   ALA  10           HA       ALA  10  -6.976  13.240  -3.955
   68    HB1  ALA  10           1HB      ALA  10  -7.127  14.073  -1.062
   69    HB2  ALA  10           2HB      ALA  10  -8.216  14.580  -2.353
   70    HB3  ALA  10           3HB      ALA  10  -6.522  15.068  -2.385
   71    H    ASP  11           H        ASP  11  -5.904  11.892  -0.833
   72    HA   ASP  11           HA       ASP  11  -3.154  12.436  -1.279
   73    HB2  ASP  11           2HB      ASP  11  -4.588  10.638   0.662
   74    HB3  ASP  11           1HB      ASP  11  -2.831  10.729   0.603
   75    H    ILE  12           H        ILE  12  -5.185   9.627  -1.788
   76    HA   ILE  12           HA       ILE  12  -3.201   7.848  -2.671
   77    HB   ILE  12           HB       ILE  12  -6.143   8.088  -3.036
   78   HG12  ILE  12          2HG1      ILE  12  -6.034   5.725  -2.168
   79   HG13  ILE  12          1HG1      ILE  12  -4.293   5.921  -2.028
   80   HG21  ILE  12          1HG2      ILE  12  -6.220   6.109  -4.494
   81   HG22  ILE  12          2HG2      ILE  12  -4.465   6.167  -4.645
   82   HG23  ILE  12          3HG2      ILE  12  -5.449   7.487  -5.279
   83   HD11  ILE  12          3HD1      ILE  12  -6.394   7.490  -0.556
   84   HD12  ILE  12          1HD1      ILE  12  -4.655   7.765  -0.448
   85   HD13  ILE  12          2HD1      ILE  12  -5.342   6.239   0.108
   86    H    THR  13           H        THR  13  -5.231  10.153  -4.445
   87    HA   THR  13           HA       THR  13  -4.244   9.697  -7.015
   88    HB   THR  13           HB       THR  13  -5.335  12.238  -5.788
   89    HG1  THR  13           1HG      THR  13  -6.890  10.645  -5.780
   90   HG21  THR  13          3HG2      THR  13  -4.073  12.749  -7.822
   91   HG22  THR  13          1HG2      THR  13  -5.804  12.965  -8.074
   92   HG23  THR  13          2HG2      THR  13  -4.993  11.531  -8.704
   93    H    ALA  14           H        ALA  14  -3.027  11.743  -4.412
   94    HA   ALA  14           HA       ALA  14  -1.085  13.152  -5.872
   95    HB1  ALA  14           1HB      ALA  14  -1.075  12.383  -2.955
   96    HB2  ALA  14           2HB      ALA  14  -1.791  13.838  -3.648
   97    HB3  ALA  14           3HB      ALA  14  -0.043  13.605  -3.699
   98    H    ALA  15           H        ALA  15  -0.812  10.134  -3.987
   99    HA   ALA  15           HA       ALA  15   1.916   9.680  -4.550
  100    HB1  ALA  15           1HB      ALA  15   1.495   7.363  -3.880
  101    HB2  ALA  15           2HB      ALA  15  -0.243   7.660  -3.943
  102    HB3  ALA  15           3HB      ALA  15   0.753   8.501  -2.758
  103    H    LEU  16           H        LEU  16  -1.046   8.698  -6.187
  104    HA   LEU  16           HA       LEU  16   0.187   7.125  -8.189
  105    HB2  LEU  16           2HB      LEU  16  -2.464   8.568  -8.198
  106    HB3  LEU  16           1HB      LEU  16  -1.972   7.374  -9.380
  107    HG   LEU  16           HG       LEU  16  -2.288   6.821  -6.432
  108   HD11  LEU  16          1HD1      LEU  16  -4.318   5.594  -7.133
  109   HD12  LEU  16          2HD1      LEU  16  -4.132   6.280  -8.747
  110   HD13  LEU  16          3HD1      LEU  16  -4.435   7.338  -7.371
  111   HD21  LEU  16          3HD2      LEU  16  -2.178   4.474  -7.129
  112   HD22  LEU  16          1HD2      LEU  16  -0.696   5.342  -7.527
  113   HD23  LEU  16          2HD2      LEU  16  -1.875   4.987  -8.789
  114    H    ALA  17           H        ALA  17  -0.105  10.518  -7.763
  115    HA   ALA  17           HA       ALA  17   0.301  11.187 -10.535
  116    HB1  ALA  17           1HB      ALA  17   0.510  13.483  -9.744
  117    HB2  ALA  17           2HB      ALA  17   0.543  12.916  -8.076
  118    HB3  ALA  17           3HB      ALA  17  -0.912  12.707  -9.050
  119    H    ALA  18           H        ALA  18   2.256  10.678  -7.695
  120    HA   ALA  18           HA       ALA  18   4.681  11.686  -8.868
  121    HB1  ALA  18           1HB      ALA  18   4.302   9.911  -6.458
  122    HB2  ALA  18           2HB      ALA  18   4.316  11.676  -6.434
  123    HB3  ALA  18           3HB      ALA  18   5.770  10.788  -6.890
  124    H    CYS  19           H        CYS  19   3.232   8.535  -8.275
  125    HA   CYS  19           HA       CYS  19   5.460   7.154  -9.520
  126    HB2  CYS  19           2HB      CYS  19   2.885   6.024  -8.411
  127    HB3  CYS  19           1HB      CYS  19   4.357   5.137  -8.779
  128    HG   CYS  19           HG       CYS  19   4.622   5.142  -6.158
  129    H    LYS  20           H        LYS  20   3.350   8.908 -10.936
  130    HA   LYS  20           HA       LYS  20   2.005   7.134 -12.722
  131    HB2  LYS  20           2HB      LYS  20   1.419   9.584 -12.066
  132    HB3  LYS  20           1HB      LYS  20   2.585  10.031 -13.300
  133    HG2  LYS  20           2HG      LYS  20   0.287   8.200 -13.888
  134    HG3  LYS  20           1HG      LYS  20   0.122   9.952 -13.947
  135    HD2  LYS  20           2HD      LYS  20   2.152   8.383 -15.531
  136    HD3  LYS  20           1HD      LYS  20   0.582   8.889 -16.156
  137    HE2  LYS  20           2HE      LYS  20   2.763  10.718 -15.153
  138    HE3  LYS  20           1HE      LYS  20   2.365  10.419 -16.841
  139    HZ1  LYS  20           3HZ      LYS  20   0.596  11.697 -14.825
  140    HZ2  LYS  20           1HZ      LYS  20   0.149  11.341 -16.416
  141    HZ3  LYS  20           2HZ      LYS  20   1.370  12.468 -16.113
  142    H    ALA  21           H        ALA  21   4.925   9.111 -12.843
  143    HA   ALA  21           HA       ALA  21   5.636   8.328 -15.497
  144    HB1  ALA  21           1HB      ALA  21   7.310   9.611 -13.346
  145    HB2  ALA  21           2HB      ALA  21   6.371  10.461 -14.572
  146    HB3  ALA  21           3HB      ALA  21   7.748   9.468 -15.047
  147    H    GLU  22           H        GLU  22   6.362   6.397 -16.053
  148    HA   GLU  22           HA       GLU  22   7.130   4.392 -14.253
  149    HB2  GLU  22           2HB      GLU  22   8.030   4.528 -17.128
  150    HB3  GLU  22           1HB      GLU  22   7.764   3.093 -16.149
  151    HG2  GLU  22           2HG      GLU  22   5.855   3.036 -17.355
  152    HG3  GLU  22           1HG      GLU  22   5.304   4.092 -16.056
  153    H    GLY  23           H        GLY  23   8.933   4.087 -13.153
  154    HA2  GLY  23           2HA      GLY  23  11.363   4.012 -13.049
  155    HA3  GLY  23           1HA      GLY  23  11.389   5.457 -14.053
  156    H    SER  24           H        SER  24   9.104   6.572 -12.542
  157    HA   SER  24           HA       SER  24  10.632   7.640 -10.291
  158    HB2  SER  24           2HB      SER  24   8.064   8.592 -11.597
  159    HB3  SER  24           1HB      SER  24   8.924   9.431 -10.298
  160    HG   SER  24           HG       SER  24   9.497  10.297 -12.309
  161    H    PHE  25           H        PHE  25   9.945   5.154  -9.735
  162    HA   PHE  25           HA       PHE  25   7.297   5.044  -8.544
  163    HB2  PHE  25           2HB      PHE  25   8.083   2.607  -8.077
  164    HB3  PHE  25           1HB      PHE  25   7.661   3.086  -9.717
  165    HD1  PHE  25           2HD      PHE  25  10.587   2.675  -7.440
  166    HD2  PHE  25           1HD      PHE  25   9.161   2.751 -11.450
  167    HE1  PHE  25           2HE      PHE  25  12.785   1.908  -8.236
  168    HE2  PHE  25           1HE      PHE  25  11.357   1.982 -12.248
  169    HZ   PHE  25           HZ       PHE  25  13.173   1.561 -10.640
  170    H    ASP  26           H        ASP  26   6.870   5.144  -6.459
  171    HA   ASP  26           HA       ASP  26   9.003   4.627  -4.531
  172    HB2  ASP  26           2HB      ASP  26   7.457   7.175  -4.792
  173    HB3  ASP  26           1HB      ASP  26   7.947   6.627  -3.192
  174    H    HIS  27           H        HIS  27   8.029   2.691  -3.967
  175    HA   HIS  27           HA       HIS  27   5.299   2.354  -3.391
  176    HB2  HIS  27           2HB      HIS  27   5.847   0.193  -2.848
  177    HB3  HIS  27           1HB      HIS  27   7.359   0.641  -3.622
  178    HD1  HIS  27           1HD      HIS  27   9.456   0.697  -2.198
  179    HD2  HIS  27           2HD      HIS  27   6.004  -0.033   0.004
  180    HE1  HIS  27           1HE      HIS  27  10.239   0.017   0.086
  181    HE2  HIS  27           2HE      HIS  27   8.143  -0.288   1.450
  182    H    LYS  28           H        LYS  28   7.939   3.543  -1.562
  183    HA   LYS  28           HA       LYS  28   6.817   3.334   1.026
  184    HB2  LYS  28           2HB      LYS  28   9.227   3.589   0.490
  185    HB3  LYS  28           1HB      LYS  28   8.898   5.226  -0.059
  186    HG2  LYS  28           2HG      LYS  28   8.211   5.869   2.189
  187    HG3  LYS  28           1HG      LYS  28   8.518   4.226   2.755
  188    HD2  LYS  28           2HD      LYS  28  10.876   4.459   2.111
  189    HD3  LYS  28           1HD      LYS  28  10.559   6.113   1.589
  190    HE2  LYS  28           2HE      LYS  28   9.955   6.742   3.849
  191    HE3  LYS  28           1HE      LYS  28  10.158   5.077   4.391
  192    HZ1  LYS  28           3HZ      LYS  28  12.296   6.852   3.341
  193    HZ2  LYS  28           1HZ      LYS  28  12.508   5.229   3.773
  194    HZ3  LYS  28           2HZ      LYS  28  12.093   6.370   4.948
  195    H    ALA  29           H        ALA  29   7.059   5.975  -1.320
  196    HA   ALA  29           HA       ALA  29   5.813   7.968   0.154
  197    HB1  ALA  29           1HB      ALA  29   5.334   9.044  -1.987
  198    HB2  ALA  29           2HB      ALA  29   5.712   7.541  -2.830
  199    HB3  ALA  29           3HB      ALA  29   6.975   8.400  -1.948
  200    H    PHE  30           H        PHE  30   4.448   5.395  -1.824
  201    HA   PHE  30           HA       PHE  30   1.788   6.282  -1.813
  202    HB2  PHE  30           2HB      PHE  30   2.656   4.488  -3.291
  203    HB3  PHE  30           1HB      PHE  30   2.793   3.424  -1.897
  204    HD1  PHE  30           1HD      PHE  30   0.427   5.198  -4.093
  205    HD2  PHE  30           2HD      PHE  30   0.892   2.292  -1.018
  206    HE1  PHE  30           1HE      PHE  30  -1.895   4.467  -4.441
  207    HE2  PHE  30           2HE      PHE  30  -1.432   1.556  -1.360
  208    HZ   PHE  30           HZ       PHE  30  -2.827   2.644  -3.075
  209    H    PHE  31           H        PHE  31   3.408   3.931   0.386
  210    HA   PHE  31           HA       PHE  31   1.028   3.451   1.846
  211    HB2  PHE  31           2HB      PHE  31   2.254   2.031   3.240
  212    HB3  PHE  31           1HB      PHE  31   3.112   1.958   1.727
  213    HD1  PHE  31           2HD      PHE  31   3.270   3.731   4.998
  214    HD2  PHE  31           1HD      PHE  31   5.361   2.090   1.682
  215    HE1  PHE  31           2HE      PHE  31   5.404   4.137   6.150
  216    HE2  PHE  31           1HE      PHE  31   7.498   2.478   2.835
  217    HZ   PHE  31           HZ       PHE  31   7.520   3.510   5.068
  218    H    THR  32           H        THR  32   3.680   5.685   2.337
  219    HA   THR  32           HA       THR  32   2.738   6.228   5.005
  220    HB   THR  32           HB       THR  32   5.120   5.864   4.430
  221    HG1  THR  32           1HG      THR  32   4.400   8.329   5.719
  222   HG21  THR  32          3HG2      THR  32   4.876   8.644   3.246
  223   HG22  THR  32          1HG2      THR  32   5.304   7.162   2.391
  224   HG23  THR  32          2HG2      THR  32   6.402   7.832   3.598
  225    H    LYS  33           H        LYS  33   2.467   7.664   1.901
  226    HA   LYS  33           HA       LYS  33   1.828  10.299   2.815
  227    HB2  LYS  33           2HB      LYS  33   2.644   9.828   0.558
  228    HB3  LYS  33           1HB      LYS  33   1.192   8.907   0.215
  229    HG2  LYS  33           2HG      LYS  33  -0.150  10.953   0.520
  230    HG3  LYS  33           1HG      LYS  33   1.345  11.863   0.759
  231    HD2  LYS  33           2HD      LYS  33   0.700  10.250  -1.707
  232    HD3  LYS  33           1HD      LYS  33   0.449  11.993  -1.561
  233    HE2  LYS  33           2HE      LYS  33   3.104  10.596  -1.239
  234    HE3  LYS  33           1HE      LYS  33   2.556  11.381  -2.717
  235    HZ1  LYS  33           3HZ      LYS  33   4.015  12.807  -1.407
  236    HZ2  LYS  33           1HZ      LYS  33   2.943  12.739  -0.103
  237    HZ3  LYS  33           2HZ      LYS  33   2.473  13.483  -1.546
  238    H    VAL  34           H        VAL  34  -0.085   7.523   1.688
  239    HA   VAL  34           HA       VAL  34  -2.573   8.798   2.231
  240    HB   VAL  34           HB       VAL  34  -3.557   6.816   1.432
  241   HG11  VAL  34          1HG1      VAL  34  -0.967   7.193  -0.038
  242   HG12  VAL  34          2HG1      VAL  34  -2.444   8.126  -0.280
  243   HG13  VAL  34          3HG1      VAL  34  -2.409   6.408  -0.682
  244   HG21  VAL  34          3HG2      VAL  34  -2.360   4.707   1.100
  245   HG22  VAL  34          1HG2      VAL  34  -2.374   5.192   2.796
  246   HG23  VAL  34          2HG2      VAL  34  -0.921   5.426   1.825
  247    H    GLY  35           H        GLY  35  -0.271   7.437   4.165
  248    HA2  GLY  35           2HA      GLY  35  -0.257   6.993   6.414
  249    HA3  GLY  35           1HA      GLY  35  -1.941   7.483   6.466
  250    H    LEU  36           H        LEU  36  -0.614   4.900   4.461
  251    HA   LEU  36           HA       LEU  36  -2.649   3.121   5.433
  252    HB2  LEU  36           2HB      LEU  36  -1.836   3.187   3.061
  253    HB3  LEU  36           1HB      LEU  36  -0.335   2.470   3.617
  254    HG   LEU  36           HG       LEU  36  -1.723   0.543   4.500
  255   HD11  LEU  36          1HD1      LEU  36  -3.882   1.680   4.496
  256   HD12  LEU  36          2HD1      LEU  36  -3.916   0.214   3.524
  257   HD13  LEU  36          3HD1      LEU  36  -3.823   1.790   2.740
  258   HD21  LEU  36          3HD2      LEU  36  -1.844  -0.542   2.353
  259   HD22  LEU  36          1HD2      LEU  36  -0.384   0.438   2.447
  260   HD23  LEU  36          2HD2      LEU  36  -1.774   1.016   1.526
  261    H    ALA  37           H        ALA  37   0.741   3.637   6.018
  262    HA   ALA  37           HA       ALA  37   1.258   1.140   7.296
  263    HB1  ALA  37           1HB      ALA  37   3.292   2.247   8.141
  264    HB2  ALA  37           2HB      ALA  37   2.700   3.785   7.514
  265    HB3  ALA  37           3HB      ALA  37   3.077   2.469   6.407
  266    H    ALA  38           H        ALA  38  -0.281   4.057   8.251
  267    HA   ALA  38           HA       ALA  38  -0.226   3.301  11.083
  268    HB1  ALA  38           1HB      ALA  38  -1.161   5.525  11.501
  269    HB2  ALA  38           2HB      ALA  38  -1.224   5.826   9.765
  270    HB3  ALA  38           3HB      ALA  38   0.331   5.622  10.568
  271    H    LYS  39           H        LYS  39  -1.787   1.953   8.901
  272    HA   LYS  39           HA       LYS  39  -4.527   2.541   9.733
  273    HB2  LYS  39           2HB      LYS  39  -3.379   0.945   7.456
  274    HB3  LYS  39           1HB      LYS  39  -5.082   0.859   7.886
  275    HG2  LYS  39           2HG      LYS  39  -3.635   3.397   7.165
  276    HG3  LYS  39           1HG      LYS  39  -4.587   2.430   6.040
  277    HD2  LYS  39           2HD      LYS  39  -6.573   2.766   7.435
  278    HD3  LYS  39           1HD      LYS  39  -5.619   3.742   8.552
  279    HE2  LYS  39           2HE      LYS  39  -5.964   4.396   5.634
  280    HE3  LYS  39           1HE      LYS  39  -6.996   5.043   6.907
  281    HZ1  LYS  39           3HZ      LYS  39  -5.163   6.160   7.874
  282    HZ2  LYS  39           1HZ      LYS  39  -5.135   6.516   6.222
  283    HZ3  LYS  39           2HZ      LYS  39  -4.049   5.387   6.863
  284    H    SER  40           H        SER  40  -5.918   0.956  10.478
  285    HA   SER  40           HA       SER  40  -4.687  -1.013  12.179
  286    HB2  SER  40           2HB      SER  40  -6.696   0.460  12.760
  287    HB3  SER  40           1HB      SER  40  -7.640  -0.560  11.679
  288    HG   SER  40           HG       SER  40  -7.275  -0.991  14.170
  289    HA   PRO  41           HA       PRO  41  -4.688  -4.721   9.789
  290    HB2  PRO  41           2HB      PRO  41  -6.738  -5.653  11.772
  291    HB3  PRO  41           1HB      PRO  41  -5.344  -6.520  11.112
  292    HG2  PRO  41           2HG      PRO  41  -5.214  -5.395  13.516
  293    HG3  PRO  41           1HG      PRO  41  -3.826  -5.346  12.415
  294    HD2  PRO  41           2HD      PRO  41  -5.659  -3.171  13.232
  295    HD3  PRO  41           1HD      PRO  41  -3.987  -3.080  12.647
  296    H    ALA  42           H        ALA  42  -8.014  -3.982  10.912
  297    HA   ALA  42           HA       ALA  42  -9.365  -5.349   8.893
  298    HB1  ALA  42           1HB      ALA  42 -11.314  -4.026   9.506
  299    HB2  ALA  42           2HB      ALA  42 -10.283  -2.891  10.377
  300    HB3  ALA  42           3HB      ALA  42 -10.436  -4.555  10.941
  301    H    ASP  43           H        ASP  43  -8.177  -2.022   8.955
  302    HA   ASP  43           HA       ASP  43  -9.461  -1.163   6.578
  303    HB2  ASP  43           2HB      ASP  43  -6.897  -0.126   7.817
  304    HB3  ASP  43           1HB      ASP  43  -7.879   0.712   6.623
  305    H    ILE  44           H        ILE  44  -6.201  -2.305   7.290
  306    HA   ILE  44           HA       ILE  44  -5.303  -2.242   4.607
  307    HB   ILE  44           HB       ILE  44  -4.265  -3.288   7.186
  308   HG12  ILE  44          2HG1      ILE  44  -2.997  -1.647   4.984
  309   HG13  ILE  44          1HG1      ILE  44  -3.870  -0.973   6.359
  310   HG21  ILE  44          1HG2      ILE  44  -3.089  -4.120   4.540
  311   HG22  ILE  44          2HG2      ILE  44  -3.833  -5.184   5.733
  312   HG23  ILE  44          3HG2      ILE  44  -2.331  -4.341   6.117
  313   HD11  ILE  44          3HD1      ILE  44  -1.425  -0.890   6.582
  314   HD12  ILE  44          1HD1      ILE  44  -1.382  -2.651   6.540
  315   HD13  ILE  44          2HD1      ILE  44  -2.199  -1.822   7.868
  316    H    LYS  45           H        LYS  45  -7.050  -4.621   6.479
  317    HA   LYS  45           HA       LYS  45  -6.641  -6.871   4.853
  318    HB2  LYS  45           2HB      LYS  45  -8.821  -6.039   6.727
  319    HB3  LYS  45           1HB      LYS  45  -9.059  -7.448   5.705
  320    HG2  LYS  45           2HG      LYS  45  -6.722  -7.104   7.571
  321    HG3  LYS  45           1HG      LYS  45  -8.212  -7.953   7.991
  322    HD2  LYS  45           2HD      LYS  45  -7.842  -9.548   6.201
  323    HD3  LYS  45           1HD      LYS  45  -6.409  -8.666   5.685
  324    HE2  LYS  45           2HE      LYS  45  -5.774 -10.618   6.966
  325    HE3  LYS  45           1HE      LYS  45  -5.338  -9.148   7.829
  326    HZ1  LYS  45           3HZ      LYS  45  -6.310 -10.728   9.333
  327    HZ2  LYS  45           1HZ      LYS  45  -7.689 -10.877   8.367
  328    HZ3  LYS  45           2HZ      LYS  45  -7.366  -9.420   9.161
  329    H    LYS  46           H        LYS  46  -9.129  -4.314   4.644
  330    HA   LYS  46           HA       LYS  46 -10.288  -5.527   2.330
  331    HB2  LYS  46           2HB      LYS  46 -11.656  -3.523   2.132
  332    HB3  LYS  46           1HB      LYS  46 -11.654  -4.122   3.777
  333    HG2  LYS  46           2HG      LYS  46 -11.519  -1.837   4.051
  334    HG3  LYS  46           1HG      LYS  46  -9.839  -2.346   4.203
  335    HD2  LYS  46           2HD      LYS  46 -10.162  -0.305   2.809
  336    HD3  LYS  46           1HD      LYS  46  -9.354  -1.625   1.966
  337    HE2  LYS  46           2HE      LYS  46 -11.044  -0.485   0.575
  338    HE3  LYS  46           1HE      LYS  46 -11.393  -2.193   0.805
  339    HZ1  LYS  46           3HZ      LYS  46 -12.678   0.061   2.252
  340    HZ2  LYS  46           1HZ      LYS  46 -13.001  -1.579   2.521
  341    HZ3  LYS  46           2HZ      LYS  46 -13.384  -0.875   1.034
  342    H    VAL  47           H        VAL  47  -7.684  -3.323   2.898
  343    HA   VAL  47           HA       VAL  47  -7.403  -2.425   0.227
  344    HB   VAL  47           HB       VAL  47  -5.249  -2.722   2.328
  345   HG11  VAL  47          1HG1      VAL  47  -5.315  -1.060  -0.189
  346   HG12  VAL  47          2HG1      VAL  47  -4.360  -2.523   0.050
  347   HG13  VAL  47          3HG1      VAL  47  -4.021  -1.081   1.008
  348   HG21  VAL  47          3HG2      VAL  47  -7.060  -1.283   3.086
  349   HG22  VAL  47          1HG2      VAL  47  -6.970  -0.355   1.589
  350   HG23  VAL  47          2HG2      VAL  47  -5.622  -0.327   2.726
  351    H    PHE  48           H        PHE  48  -6.296  -5.265   1.979
  352    HA   PHE  48           HA       PHE  48  -4.712  -6.470   0.034
  353    HB2  PHE  48           2HB      PHE  48  -6.631  -7.734   1.987
  354    HB3  PHE  48           1HB      PHE  48  -5.493  -8.643   1.007
  355    HD1  PHE  48           1HD      PHE  48  -3.271  -6.407   1.371
  356    HD2  PHE  48           2HD      PHE  48  -5.749  -8.635   4.004
  357    HE1  PHE  48           1HE      PHE  48  -1.570  -6.209   3.139
  358    HE2  PHE  48           2HE      PHE  48  -4.061  -8.434   5.781
  359    HZ   PHE  48           HZ       PHE  48  -1.965  -7.219   5.346
  360    H    GLU  49           H        GLU  49  -8.195  -6.421   0.444
  361    HA   GLU  49           HA       GLU  49  -8.835  -8.096  -1.741
  362    HB2  GLU  49           2HB      GLU  49 -10.465  -5.866  -0.506
  363    HB3  GLU  49           1HB      GLU  49 -11.088  -7.144  -1.543
  364    HG2  GLU  49           2HG      GLU  49  -9.741  -7.651   1.095
  365    HG3  GLU  49           1HG      GLU  49 -11.483  -7.458   0.903
  366    H    ILE  50           H        ILE  50  -7.886  -4.759  -1.543
  367    HA   ILE  50           HA       ILE  50  -8.960  -3.955  -4.047
  368    HB   ILE  50           HB       ILE  50  -6.609  -2.696  -2.639
  369   HG12  ILE  50          2HG1      ILE  50  -9.554  -2.041  -2.397
  370   HG13  ILE  50          1HG1      ILE  50  -8.626  -2.912  -1.181
  371   HG21  ILE  50          1HG2      ILE  50  -8.632  -1.471  -4.505
  372   HG22  ILE  50          2HG2      ILE  50  -7.070  -2.083  -5.035
  373   HG23  ILE  50          3HG2      ILE  50  -7.148  -0.740  -3.895
  374   HD11  ILE  50          3HD1      ILE  50  -8.251  -0.068  -2.069
  375   HD12  ILE  50          1HD1      ILE  50  -7.143  -0.926  -0.998
  376   HD13  ILE  50          2HD1      ILE  50  -8.811  -0.642  -0.499
  377    H    ILE  51           H        ILE  51  -5.643  -5.094  -3.147
  378    HA   ILE  51           HA       ILE  51  -4.655  -4.846  -5.806
  379    HB   ILE  51           HB       ILE  51  -2.958  -6.722  -5.100
  380   HG12  ILE  51          2HG1      ILE  51  -4.572  -7.078  -2.968
  381   HG13  ILE  51          1HG1      ILE  51  -2.835  -7.365  -2.879
  382   HG21  ILE  51          1HG2      ILE  51  -2.999  -4.006  -3.781
  383   HG22  ILE  51          2HG2      ILE  51  -2.390  -4.394  -5.390
  384   HG23  ILE  51          3HG2      ILE  51  -1.582  -5.044  -3.961
  385   HD11  ILE  51          3HD1      ILE  51  -3.278  -6.107  -0.988
  386   HD12  ILE  51          1HD1      ILE  51  -4.434  -5.060  -1.817
  387   HD13  ILE  51          2HD1      ILE  51  -2.706  -4.899  -2.131
  388    H    ASP  52           H        ASP  52  -6.603  -7.169  -4.186
  389    HA   ASP  52           HA       ASP  52  -6.483  -9.030  -6.401
  390    HB2  ASP  52           2HB      ASP  52  -6.933  -9.581  -3.857
  391    HB3  ASP  52           1HB      ASP  52  -8.592  -9.155  -4.278
  392    H    GLN  53           H        GLN  53  -7.050  -7.001  -7.699
  393    HA   GLN  53           HA       GLN  53  -9.479  -5.708  -7.740
  394    HB2  GLN  53           2HB      GLN  53  -7.375  -5.371  -9.165
  395    HB3  GLN  53           1HB      GLN  53  -8.007  -6.626 -10.212
  396    HG2  GLN  53           2HG      GLN  53  -9.481  -4.086  -9.594
  397    HG3  GLN  53           1HG      GLN  53  -8.387  -4.276 -10.958
  398   HE21  GLN  53          1HE2      GLN  53  -8.966  -5.768 -12.622
  399   HE22  GLN  53          2HE2      GLN  53 -10.626  -6.183 -12.881
  400    H    ASP  54           H        ASP  54  -8.566  -8.713  -9.272
  401    HA   ASP  54           HA       ASP  54 -11.148  -9.215 -10.425
  402    HB2  ASP  54           2HB      ASP  54  -9.247  -9.964 -11.641
  403    HB3  ASP  54           1HB      ASP  54  -8.582 -10.786 -10.238
  404    H    LYS  55           H        LYS  55  -9.783  -9.708  -7.365
  405    HA   LYS  55           HA       LYS  55 -10.350 -10.880  -5.518
  406    HB2  LYS  55           2HB      LYS  55 -12.977 -10.768  -6.944
  407    HB3  LYS  55           1HB      LYS  55 -12.829 -11.528  -5.368
  408    HG2  LYS  55           2HG      LYS  55 -12.175  -8.661  -6.031
  409    HG3  LYS  55           1HG      LYS  55 -13.617  -9.228  -5.190
  410    HD2  LYS  55           2HD      LYS  55 -10.782  -9.567  -4.208
  411    HD3  LYS  55           1HD      LYS  55 -11.910  -8.334  -3.652
  412    HE2  LYS  55           2HE      LYS  55 -12.331 -11.311  -3.420
  413    HE3  LYS  55           1HE      LYS  55 -11.783 -10.256  -2.119
  414    HZ1  LYS  55           3HZ      LYS  55 -14.402 -10.090  -3.510
  415    HZ2  LYS  55           1HZ      LYS  55 -13.871  -9.035  -2.300
  416    HZ3  LYS  55           2HZ      LYS  55 -14.139 -10.663  -1.942
  417    H    SER  56           H        SER  56  -8.847 -12.413  -6.510
  418    HA   SER  56           HA       SER  56 -10.099 -14.930  -7.389
  419    HB2  SER  56           2HB      SER  56  -7.249 -14.717  -7.886
  420    HB3  SER  56           1HB      SER  56  -8.561 -14.979  -9.038
  421    HG   SER  56           HG       SER  56  -8.670 -12.892  -9.464
  422    H    ASP  57           H        ASP  57  -9.015 -13.583  -4.700
  423    HA   ASP  57           HA       ASP  57  -8.112 -14.236  -2.728
  424    HB2  ASP  57           2HB      ASP  57  -8.058 -16.981  -3.998
  425    HB3  ASP  57           1HB      ASP  57  -7.521 -16.662  -2.352
  426    H    PHE  58           H        PHE  58  -6.680 -14.197  -5.611
  427    HA   PHE  58           HA       PHE  58  -4.047 -13.777  -4.459
  428    HB2  PHE  58           2HB      PHE  58  -4.588 -15.578  -6.833
  429    HB3  PHE  58           1HB      PHE  58  -2.997 -14.949  -6.425
  430    HD1  PHE  58           1HD      PHE  58  -1.893 -15.674  -4.328
  431    HD2  PHE  58           2HD      PHE  58  -5.506 -17.447  -5.708
  432    HE1  PHE  58           1HE      PHE  58  -1.506 -17.604  -2.853
  433    HE2  PHE  58           2HE      PHE  58  -5.127 -19.378  -4.234
  434    HZ   PHE  58           HZ       PHE  58  -3.124 -19.459  -2.804
  435    H    VAL  59           H        VAL  59  -2.973 -12.116  -5.454
  436    HA   VAL  59           HA       VAL  59  -4.568 -10.686  -7.445
  437    HB   VAL  59           HB       VAL  59  -3.808  -8.725  -6.626
  438   HG11  VAL  59          1HG1      VAL  59  -4.787  -9.822  -4.726
  439   HG12  VAL  59          2HG1      VAL  59  -3.476  -8.762  -4.210
  440   HG13  VAL  59          3HG1      VAL  59  -3.220 -10.504  -4.290
  441   HG21  VAL  59          3HG2      VAL  59  -1.700  -8.100  -6.038
  442   HG22  VAL  59          1HG2      VAL  59  -1.429  -9.341  -7.257
  443   HG23  VAL  59          2HG2      VAL  59  -1.248  -9.733  -5.542
  444    H    GLU  60           H        GLU  60  -3.959 -10.684  -9.479
  445    HA   GLU  60           HA       GLU  60  -1.323 -11.664 -10.214
  446    HB2  GLU  60           2HB      GLU  60  -3.734 -10.924 -11.878
  447    HB3  GLU  60           1HB      GLU  60  -2.224 -11.532 -12.542
  448    HG2  GLU  60           2HG      GLU  60  -3.871 -13.031 -10.529
  449    HG3  GLU  60           1HG      GLU  60  -4.041 -13.228 -12.272
  450    H    GLU  61           H        GLU  61  -0.268 -10.451 -12.152
  451    HA   GLU  61           HA       GLU  61   0.424  -7.848 -11.317
  452    HB2  GLU  61           2HB      GLU  61   1.920  -9.248 -12.660
  453    HB3  GLU  61           1HB      GLU  61   0.796  -9.175 -14.007
  454    HG2  GLU  61           2HG      GLU  61   1.138  -6.689 -14.027
  455    HG3  GLU  61           1HG      GLU  61   2.440  -6.938 -12.862
  456    H    ASP  62           H        ASP  62  -1.728  -9.008 -13.902
  457    HA   ASP  62           HA       ASP  62  -2.404  -6.436 -14.874
  458    HB2  ASP  62           2HB      ASP  62  -2.811  -8.663 -16.052
  459    HB3  ASP  62           1HB      ASP  62  -4.212  -8.846 -14.998
  460    H    GLU  63           H        GLU  63  -3.547  -8.380 -12.239
  461    HA   GLU  63           HA       GLU  63  -5.854  -6.872 -11.628
  462    HB2  GLU  63           2HB      GLU  63  -4.091  -8.691 -10.020
  463    HB3  GLU  63           1HB      GLU  63  -5.380  -7.774  -9.245
  464    HG2  GLU  63           2HG      GLU  63  -6.968  -8.782 -10.880
  465    HG3  GLU  63           1HG      GLU  63  -5.654  -9.824 -11.426
  466    H    LEU  64           H        LEU  64  -2.450  -6.542 -10.776
  467    HA   LEU  64           HA       LEU  64  -2.853  -4.398  -8.961
  468    HB2  LEU  64           2HB      LEU  64  -0.747  -5.960  -9.511
  469    HB3  LEU  64           1HB      LEU  64  -0.298  -4.492 -10.373
  470    HG   LEU  64           HG       LEU  64  -1.117  -3.414  -8.058
  471   HD11  LEU  64          1HD1      LEU  64  -0.284  -4.758  -6.206
  472   HD12  LEU  64          2HD1      LEU  64   0.030  -6.092  -7.316
  473   HD13  LEU  64          3HD1      LEU  64  -1.624  -5.547  -7.038
  474   HD21  LEU  64          3HD2      LEU  64   0.958  -2.943  -9.131
  475   HD22  LEU  64          1HD2      LEU  64   1.598  -4.519  -8.676
  476   HD23  LEU  64          2HD2      LEU  64   1.243  -3.321  -7.433
  477    H    LYS  65           H        LYS  65  -2.541  -4.628 -12.402
  478    HA   LYS  65           HA       LYS  65  -1.989  -1.935 -12.974
  479    HB2  LYS  65           2HB      LYS  65  -3.044  -4.263 -14.449
  480    HB3  LYS  65           1HB      LYS  65  -3.559  -2.709 -15.084
  481    HG2  LYS  65           2HG      LYS  65  -1.538  -3.595 -16.183
  482    HG3  LYS  65           1HG      LYS  65  -1.266  -2.034 -15.408
  483    HD2  LYS  65           2HD      LYS  65  -0.199  -3.102 -13.534
  484    HD3  LYS  65           1HD      LYS  65  -0.570  -4.701 -14.181
  485    HE2  LYS  65           2HE      LYS  65   1.200  -2.647 -15.506
  486    HE3  LYS  65           1HE      LYS  65   1.773  -4.026 -14.571
  487    HZ1  LYS  65           3HZ      LYS  65   1.845  -4.507 -16.918
  488    HZ2  LYS  65           1HZ      LYS  65   0.200  -4.156 -17.086
  489    HZ3  LYS  65           2HZ      LYS  65   0.689  -5.491 -16.179
  490    H    LEU  66           H        LEU  66  -5.008  -3.664 -12.460
  491    HA   LEU  66           HA       LEU  66  -6.446  -1.136 -12.780
  492    HB2  LEU  66           2HB      LEU  66  -7.537  -3.942 -12.785
  493    HB3  LEU  66           1HB      LEU  66  -8.400  -2.472 -13.225
  494    HG   LEU  66           HG       LEU  66  -6.042  -3.663 -14.679
  495   HD11  LEU  66          1HD1      LEU  66  -8.099  -4.868 -15.088
  496   HD12  LEU  66          2HD1      LEU  66  -7.594  -3.970 -16.519
  497   HD13  LEU  66          3HD1      LEU  66  -8.915  -3.362 -15.517
  498   HD21  LEU  66          3HD2      LEU  66  -6.339  -1.851 -16.289
  499   HD22  LEU  66          1HD2      LEU  66  -5.920  -1.233 -14.686
  500   HD23  LEU  66          2HD2      LEU  66  -7.589  -1.144 -15.266
  501    H    PHE  67           H        PHE  67  -5.147  -2.882 -10.345
  502    HA   PHE  67           HA       PHE  67  -7.235  -2.912  -8.429
  503    HB2  PHE  67           2HB      PHE  67  -5.697  -3.855  -7.092
  504    HB3  PHE  67           1HB      PHE  67  -4.622  -3.811  -8.477
  505    HD1  PHE  67           1HD      PHE  67  -2.949  -1.959  -8.663
  506    HD2  PHE  67           2HD      PHE  67  -5.292  -2.550  -5.166
  507    HE1  PHE  67           1HE      PHE  67  -1.366  -0.592  -7.373
  508    HE2  PHE  67           2HE      PHE  67  -3.720  -1.173  -3.872
  509    HZ   PHE  67           HZ       PHE  67  -1.750  -0.195  -4.974
  510    H    LEU  68           H        LEU  68  -5.155  -0.504  -9.691
  511    HA   LEU  68           HA       LEU  68  -5.363   1.453  -7.673
  512    HB2  LEU  68           2HB      LEU  68  -5.047   1.967 -10.621
  513    HB3  LEU  68           1HB      LEU  68  -4.452   2.944  -9.292
  514    HG   LEU  68           HG       LEU  68  -3.405   0.194  -9.364
  515   HD11  LEU  68          1HD1      LEU  68  -1.826   0.671 -11.164
  516   HD12  LEU  68          2HD1      LEU  68  -2.656   2.193 -11.490
  517   HD13  LEU  68          3HD1      LEU  68  -3.494   0.657 -11.755
  518   HD21  LEU  68          3HD2      LEU  68  -2.126   2.912  -9.102
  519   HD22  LEU  68          1HD2      LEU  68  -1.326   1.363  -8.846
  520   HD23  LEU  68          2HD2      LEU  68  -2.626   1.871  -7.770
  521    H    GLN  69           H        GLN  69  -7.201   0.801 -10.603
  522    HA   GLN  69           HA       GLN  69  -9.033   2.961 -10.268
  523    HB2  GLN  69           2HB      GLN  69  -9.303   0.419 -11.888
  524    HB3  GLN  69           1HB      GLN  69 -10.309   1.852 -12.052
  525    HG2  GLN  69           2HG      GLN  69  -8.389   3.144 -12.780
  526    HG3  GLN  69           1HG      GLN  69  -7.344   1.742 -12.555
  527   HE21  GLN  69          1HE2      GLN  69  -6.711   1.769 -14.700
  528   HE22  GLN  69          2HE2      GLN  69  -7.755   1.256 -15.978
  529    H    ASN  70           H        ASN  70  -8.620  -0.070  -8.847
  530    HA   ASN  70           HA       ASN  70 -11.382  -0.352  -7.967
  531    HB2  ASN  70           2HB      ASN  70 -10.015  -2.350  -8.498
  532    HB3  ASN  70           1HB      ASN  70  -8.894  -1.915  -7.214
  533   HD21  ASN  70          1HD2      ASN  70  -9.231  -3.880  -6.193
  534   HD22  ASN  70          2HD2      ASN  70 -10.686  -4.226  -5.324
  535    H    PHE  71           H        PHE  71  -8.375   0.950  -6.929
  536    HA   PHE  71           HA       PHE  71  -8.968   1.094  -4.128
  537    HB2  PHE  71           2HB      PHE  71  -6.662   1.062  -5.398
  538    HB3  PHE  71           1HB      PHE  71  -6.905   2.801  -5.484
  539    HD1  PHE  71           1HD      PHE  71  -7.719   3.780  -3.048
  540    HD2  PHE  71           2HD      PHE  71  -5.294   0.353  -3.733
  541    HE1  PHE  71           1HE      PHE  71  -6.759   4.011  -0.795
  542    HE2  PHE  71           2HE      PHE  71  -4.334   0.574  -1.480
  543    HZ   PHE  71           HZ       PHE  71  -5.068   2.404  -0.007
  544    H    SER  72           H        SER  72  -8.959   3.377  -6.846
  545    HA   SER  72           HA       SER  72 -10.424   5.283  -5.157
  546    HB2  SER  72           2HB      SER  72  -9.160   7.095  -6.429
  547    HB3  SER  72           1HB      SER  72  -8.224   6.168  -5.256
  548    HG   SER  72           HG       SER  72  -7.428   4.913  -6.985
  549    H    ALA  73           H        ALA  73 -10.912   7.259  -7.029
  550    HA   ALA  73           HA       ALA  73 -13.020   5.992  -8.521
  551    HB1  ALA  73           1HB      ALA  73 -13.659   8.267  -9.158
  552    HB2  ALA  73           2HB      ALA  73 -12.182   8.886  -8.422
  553    HB3  ALA  73           3HB      ALA  73 -13.414   8.124  -7.419
  554    H    GLY  74           H        GLY  74 -10.030   7.721  -9.322
  555    HA2  GLY  74           2HA      GLY  74 -10.105   6.504 -11.979
  556    HA3  GLY  74           1HA      GLY  74 -10.070   8.259 -11.898
  557    H    ALA  75           H        ALA  75  -8.251   5.373 -11.695
  558    HA   ALA  75           HA       ALA  75  -5.854   6.943 -11.026
  559    HB1  ALA  75           1HB      ALA  75  -6.438   4.085 -10.281
  560    HB2  ALA  75           2HB      ALA  75  -6.424   5.470  -9.188
  561    HB3  ALA  75           3HB      ALA  75  -4.931   4.942  -9.964
  562    H    ARG  76           H        ARG  76  -4.233   6.861 -12.407
  563    HA   ARG  76           HA       ARG  76  -4.325   5.568 -14.882
  564    HB2  ARG  76           2HB      ARG  76  -2.056   6.803 -13.317
  565    HB3  ARG  76           1HB      ARG  76  -1.877   6.198 -14.956
  566    HG2  ARG  76           2HG      ARG  76  -2.203   8.525 -15.149
  567    HG3  ARG  76           1HG      ARG  76  -3.704   7.755 -15.636
  568    HD2  ARG  76           2HD      ARG  76  -4.254   9.647 -14.307
  569    HD3  ARG  76           1HD      ARG  76  -4.621   8.196 -13.383
  570    HE   ARG  76           HE       ARG  76  -2.035   9.434 -12.896
  571   HH11  ARG  76          1HH1      ARG  76  -5.371   9.062 -11.908
  572   HH12  ARG  76          2HH1      ARG  76  -5.096   9.626 -10.290
  573   HH21  ARG  76          1HH2      ARG  76  -1.667  10.226 -10.788
  574   HH22  ARG  76          2HH2      ARG  76  -2.980  10.307  -9.656
  575    H    ALA  77           H        ALA  77  -3.584   3.617 -15.567
  576    HA   ALA  77           HA       ALA  77  -2.953   1.649 -13.588
  577    HB1  ALA  77           1HB      ALA  77  -4.268   1.064 -15.560
  578    HB2  ALA  77           2HB      ALA  77  -2.804   0.083 -15.453
  579    HB3  ALA  77           3HB      ALA  77  -2.888   1.427 -16.594
  580    H    LEU  78           H        LEU  78  -1.064   1.375 -12.725
  581    HA   LEU  78           HA       LEU  78   1.349   2.495 -13.639
  582    HB2  LEU  78           2HB      LEU  78   0.534   0.571 -11.526
  583    HB3  LEU  78           1HB      LEU  78   2.228   0.613 -11.962
  584    HG   LEU  78           HG       LEU  78   2.446   2.884 -11.254
  585   HD11  LEU  78          1HD1      LEU  78   0.344   3.785 -12.099
  586   HD12  LEU  78          2HD1      LEU  78   0.601   4.220 -10.409
  587   HD13  LEU  78          3HD1      LEU  78  -0.533   2.934 -10.825
  588   HD21  LEU  78          3HD2      LEU  78   0.781   1.324  -9.292
  589   HD22  LEU  78          1HD2      LEU  78   1.770   2.730  -8.893
  590   HD23  LEU  78          2HD2      LEU  78   2.533   1.252  -9.479
  591    H    SER  79           H        SER  79   3.075   1.612 -14.744
  592    HA   SER  79           HA       SER  79   2.850  -1.107 -15.756
  593    HB2  SER  79           2HB      SER  79   1.551   0.216 -17.366
  594    HB3  SER  79           1HB      SER  79   2.902   1.327 -17.565
  595    HG   SER  79           HG       SER  79   3.988  -0.142 -18.712
  596    H    ASP  80           H        ASP  80   4.780  -1.644 -17.150
  597    HA   ASP  80           HA       ASP  80   7.000  -1.740 -17.589
  598    HB2  ASP  80           2HB      ASP  80   6.877   1.166 -16.772
  599    HB3  ASP  80           1HB      ASP  80   8.335   0.395 -17.383
  600    H    ALA  81           H        ALA  81   9.022  -0.190 -16.030
  601    HA   ALA  81           HA       ALA  81   9.641  -2.205 -14.230
  602    HB1  ALA  81           1HB      ALA  81  11.413  -0.760 -13.437
  603    HB2  ALA  81           2HB      ALA  81  10.631   0.640 -14.169
  604    HB3  ALA  81           3HB      ALA  81  11.279  -0.641 -15.192
  605    H    GLU  82           H        GLU  82   7.574   0.523 -13.835
  606    HA   GLU  82           HA       GLU  82   7.719   0.992 -11.094
  607    HB2  GLU  82           2HB      GLU  82   6.549   2.562 -12.382
  608    HB3  GLU  82           1HB      GLU  82   5.586   1.329 -13.179
  609    HG2  GLU  82           2HG      GLU  82   4.213   2.588 -11.690
  610    HG3  GLU  82           1HG      GLU  82   4.383   0.944 -11.085
  611    H    THR  83           H        THR  83   5.317  -1.029 -12.808
  612    HA   THR  83           HA       THR  83   4.125  -2.036 -10.498
  613    HB   THR  83           HB       THR  83   4.293  -3.801 -12.895
  614    HG1  THR  83           1HG      THR  83   2.739  -1.409 -12.875
  615   HG21  THR  83          3HG2      THR  83   2.845  -4.348 -10.980
  616   HG22  THR  83          1HG2      THR  83   1.911  -4.066 -12.449
  617   HG23  THR  83          2HG2      THR  83   1.992  -2.820 -11.203
  618    H    LYS  84           H        LYS  84   7.010  -3.032 -12.213
  619    HA   LYS  84           HA       LYS  84   7.263  -5.637 -11.200
  620    HB2  LYS  84           2HB      LYS  84   9.478  -3.749 -12.010
  621    HB3  LYS  84           1HB      LYS  84   9.558  -5.503 -11.953
  622    HG2  LYS  84           2HG      LYS  84   7.828  -3.871 -13.780
  623    HG3  LYS  84           1HG      LYS  84   9.326  -4.692 -14.226
  624    HD2  LYS  84           2HD      LYS  84   8.299  -6.851 -13.625
  625    HD3  LYS  84           1HD      LYS  84   6.796  -6.013 -13.236
  626    HE2  LYS  84           2HE      LYS  84   6.596  -5.267 -15.540
  627    HE3  LYS  84           1HE      LYS  84   8.129  -6.041 -15.938
  628    HZ1  LYS  84           3HZ      LYS  84   7.111  -8.181 -15.299
  629    HZ2  LYS  84           1HZ      LYS  84   6.341  -7.452 -16.617
  630    HZ3  LYS  84           2HZ      LYS  84   5.623  -7.396 -15.083
  631    H    VAL  85           H        VAL  85   9.053  -2.726 -10.257
  632    HA   VAL  85           HA       VAL  85  10.195  -3.923  -7.950
  633    HB   VAL  85           HB       VAL  85  11.403  -2.151  -8.954
  634   HG11  VAL  85          1HG1      VAL  85   9.564  -1.089 -10.121
  635   HG12  VAL  85          2HG1      VAL  85  10.509   0.109  -9.228
  636   HG13  VAL  85          3HG1      VAL  85   8.955  -0.435  -8.596
  637   HG21  VAL  85          3HG2      VAL  85  10.168  -1.092  -6.411
  638   HG22  VAL  85          1HG2      VAL  85  11.654  -0.493  -7.153
  639   HG23  VAL  85          2HG2      VAL  85  11.580  -2.143  -6.532
  640    H    PHE  86           H        PHE  86   7.365  -1.921  -8.524
  641    HA   PHE  86           HA       PHE  86   6.709  -1.382  -5.849
  642    HB2  PHE  86           2HB      PHE  86   5.727  -0.203  -7.780
  643    HB3  PHE  86           1HB      PHE  86   4.872  -1.665  -8.240
  644    HD1  PHE  86           1HD      PHE  86   5.163   0.917  -5.610
  645    HD2  PHE  86           2HD      PHE  86   2.802  -2.211  -7.258
  646    HE1  PHE  86           1HE      PHE  86   3.278   1.595  -4.182
  647    HE2  PHE  86           2HE      PHE  86   0.908  -1.540  -5.832
  648    HZ   PHE  86           HZ       PHE  86   1.146   0.366  -4.292
  649    H    LEU  87           H        LEU  87   5.760  -4.058  -8.007
  650    HA   LEU  87           HA       LEU  87   4.216  -5.495  -6.142
  651    HB2  LEU  87           2HB      LEU  87   5.873  -6.399  -8.493
  652    HB3  LEU  87           1HB      LEU  87   4.948  -7.521  -7.519
  653    HG   LEU  87           HG       LEU  87   3.688  -5.189  -8.953
  654   HD11  LEU  87          1HD1      LEU  87   3.019  -6.788 -10.676
  655   HD12  LEU  87          2HD1      LEU  87   3.981  -8.040  -9.890
  656   HD13  LEU  87          3HD1      LEU  87   4.773  -6.629 -10.593
  657   HD21  LEU  87          3HD2      LEU  87   1.657  -6.610  -8.712
  658   HD22  LEU  87          1HD2      LEU  87   2.325  -6.046  -7.181
  659   HD23  LEU  87          2HD2      LEU  87   2.602  -7.707  -7.703
  660    H    LYS  88           H        LYS  88   7.670  -5.512  -6.855
  661    HA   LYS  88           HA       LYS  88   8.320  -7.733  -5.266
  662    HB2  LYS  88           2HB      LYS  88  10.000  -5.476  -6.331
  663    HB3  LYS  88           1HB      LYS  88  10.676  -6.829  -5.430
  664    HG2  LYS  88           2HG      LYS  88   9.019  -7.223  -7.896
  665    HG3  LYS  88           1HG      LYS  88  10.769  -6.983  -7.948
  666    HD2  LYS  88           2HD      LYS  88  11.095  -8.912  -6.515
  667    HD3  LYS  88           1HD      LYS  88   9.351  -9.140  -6.389
  668    HE2  LYS  88           2HE      LYS  88  10.838  -9.200  -9.004
  669    HE3  LYS  88           1HE      LYS  88  10.528 -10.640  -8.037
  670    HZ1  LYS  88           3HZ      LYS  88   8.158 -10.216  -8.220
  671    HZ2  LYS  88           1HZ      LYS  88   8.859 -10.344  -9.758
  672    HZ3  LYS  88           2HZ      LYS  88   8.454  -8.825  -9.142
  673    H    ALA  89           H        ALA  89   7.668  -4.479  -4.342
  674    HA   ALA  89           HA       ALA  89   9.006  -4.349  -1.898
  675    HB1  ALA  89           1HB      ALA  89   6.177  -3.410  -2.353
  676    HB2  ALA  89           2HB      ALA  89   7.605  -2.522  -2.884
  677    HB3  ALA  89           3HB      ALA  89   7.327  -2.804  -1.165
  678    H    GLY  90           H        GLY  90   6.082  -6.045  -2.838
  679    HA2  GLY  90           2HA      GLY  90   5.903  -7.234  -0.147
  680    HA3  GLY  90           1HA      GLY  90   4.601  -7.196  -1.330
  681    H    ASP  91           H        ASP  91   5.821  -8.073  -3.587
  682    HA   ASP  91           HA       ASP  91   5.769 -10.861  -3.327
  683    HB2  ASP  91           2HB      ASP  91   5.302  -9.924  -5.457
  684    HB3  ASP  91           1HB      ASP  91   6.835  -9.059  -5.499
  685    H    SER  92           H        SER  92   7.172 -11.793  -1.970
  686    HA   SER  92           HA       SER  92  10.023 -11.137  -2.167
  687    HB2  SER  92           2HB      SER  92   8.651 -12.918  -0.144
  688    HB3  SER  92           1HB      SER  92  10.261 -12.204  -0.030
  689    HG   SER  92           HG       SER  92   7.876 -10.666  -0.215
  690    H    ASP  93           H        ASP  93   7.802 -13.203  -3.440
  691    HA   ASP  93           HA       ASP  93   9.428 -15.618  -3.394
  692    HB2  ASP  93           2HB      ASP  93   6.874 -15.186  -4.946
  693    HB3  ASP  93           1HB      ASP  93   7.598 -16.717  -4.477
  694    H    GLY  94           H        GLY  94   8.851 -12.919  -5.401
  695    HA2  GLY  94           2HA      GLY  94   9.748 -12.366  -7.473
  696    HA3  GLY  94           1HA      GLY  94  10.490 -13.963  -7.552
  697    H    ASP  95           H        ASP  95   7.132 -13.298  -6.849
  698    HA   ASP  95           HA       ASP  95   6.393 -15.104  -9.012
  699    HB2  ASP  95           2HB      ASP  95   4.129 -15.065  -7.924
  700    HB3  ASP  95           1HB      ASP  95   5.423 -15.689  -6.913
  701    H    GLY  96           H        GLY  96   6.362 -11.754  -8.294
  702    HA2  GLY  96           2HA      GLY  96   5.912 -10.014  -9.768
  703    HA3  GLY  96           1HA      GLY  96   5.318 -11.191 -10.932
  704    H    LYS  97           H        LYS  97   4.162 -11.090  -7.667
  705    HA   LYS  97           HA       LYS  97   1.685  -9.686  -8.403
  706    HB2  LYS  97           2HB      LYS  97   0.294 -11.496  -7.990
  707    HB3  LYS  97           1HB      LYS  97   1.641 -12.289  -8.789
  708    HG2  LYS  97           2HG      LYS  97   2.521 -12.614  -6.333
  709    HG3  LYS  97           1HG      LYS  97   0.814 -12.374  -5.930
  710    HD2  LYS  97           2HD      LYS  97   1.908 -14.451  -7.827
  711    HD3  LYS  97           1HD      LYS  97   1.300 -14.744  -6.199
  712    HE2  LYS  97           2HE      LYS  97  -0.917 -14.098  -6.847
  713    HE3  LYS  97           1HE      LYS  97  -0.350 -13.571  -8.429
  714    HZ1  LYS  97           3HZ      LYS  97  -0.353 -16.363  -7.421
  715    HZ2  LYS  97           1HZ      LYS  97   0.246 -15.872  -8.922
  716    HZ3  LYS  97           2HZ      LYS  97  -1.400 -15.720  -8.583
  717    H    ILE  98           H        ILE  98   0.267  -9.603  -6.310
  718    HA   ILE  98           HA       ILE  98   2.145  -9.230  -4.072
  719    HB   ILE  98           HB       ILE  98  -0.495  -7.899  -4.631
  720   HG12  ILE  98          2HG1      ILE  98   1.386  -6.913  -5.793
  721   HG13  ILE  98          1HG1      ILE  98   0.876  -5.837  -4.497
  722   HG21  ILE  98          1HG2      ILE  98   1.183  -7.588  -2.161
  723   HG22  ILE  98          2HG2      ILE  98  -0.306  -8.527  -2.254
  724   HG23  ILE  98          3HG2      ILE  98  -0.346  -6.785  -2.521
  725   HD11  ILE  98          3HD1      ILE  98   3.236  -5.871  -4.492
  726   HD12  ILE  98          1HD1      ILE  98   3.280  -7.632  -4.561
  727   HD13  ILE  98          2HD1      ILE  98   2.709  -6.820  -3.104
  728    H    GLY  99           H        GLY  99   2.144 -11.167  -3.043
  729    HA2  GLY  99           2HA      GLY  99  -0.163 -12.613  -2.342
  730    HA3  GLY  99           1HA      GLY  99   1.328 -12.555  -1.394
  731    H    VAL 100           H        VAL 100  -1.673 -12.256  -0.772
  732    HA   VAL 100           HA       VAL 100  -2.210  -9.622  -0.049
  733    HB   VAL 100           HB       VAL 100  -3.252 -12.282   0.793
  734   HG11  VAL 100          1HG1      VAL 100  -3.433 -11.018   2.832
  735   HG12  VAL 100          2HG1      VAL 100  -5.030 -11.151   2.097
  736   HG13  VAL 100          3HG1      VAL 100  -4.118  -9.649   1.962
  737   HG21  VAL 100          3HG2      VAL 100  -4.526  -9.920  -0.582
  738   HG22  VAL 100          1HG2      VAL 100  -5.249 -11.513  -0.362
  739   HG23  VAL 100          2HG2      VAL 100  -3.833 -11.317  -1.401
  740    H    ASP 101           H        ASP 101  -0.767 -12.250   1.808
  741    HA   ASP 101           HA       ASP 101  -0.345 -10.768   4.184
  742    HB2  ASP 101           2HB      ASP 101  -0.324 -13.247   4.037
  743    HB3  ASP 101           1HB      ASP 101   1.187 -13.156   3.136
  744    H    GLU 102           H        GLU 102   1.449 -11.211   1.226
  745    HA   GLU 102           HA       GLU 102   3.887 -10.030   2.043
  746    HB2  GLU 102           2HB      GLU 102   2.718 -10.167  -0.752
  747    HB3  GLU 102           1HB      GLU 102   4.404  -9.870  -0.339
  748    HG2  GLU 102           2HG      GLU 102   4.368 -12.148   0.788
  749    HG3  GLU 102           1HG      GLU 102   2.839 -12.410  -0.041
  750    H    PHE 103           H        PHE 103   0.880  -8.745   0.740
  751    HA   PHE 103           HA       PHE 103   1.771  -6.141   0.183
  752    HB2  PHE 103           2HB      PHE 103  -0.455  -7.116  -0.499
  753    HB3  PHE 103           1HB      PHE 103  -0.995  -6.867   1.156
  754    HD1  PHE 103           2HD      PHE 103   0.384  -5.057  -1.782
  755    HD2  PHE 103           1HD      PHE 103  -1.895  -4.816   1.798
  756    HE1  PHE 103           2HE      PHE 103  -0.240  -2.750  -2.344
  757    HE2  PHE 103           1HE      PHE 103  -2.518  -2.507   1.244
  758    HZ   PHE 103           HZ       PHE 103  -1.694  -1.468  -0.827
  759    H    GLY 104           H        GLY 104   0.349  -7.551   3.124
  760    HA2  GLY 104           2HA      GLY 104   0.410  -5.304   4.764
  761    HA3  GLY 104           1HA      GLY 104   0.676  -6.947   5.333
  762    H    ALA 105           H        ALA 105   3.013  -7.578   4.026
  763    HA   ALA 105           HA       ALA 105   4.956  -6.422   5.705
  764    HB1  ALA 105           1HB      ALA 105   5.383  -8.000   3.171
  765    HB2  ALA 105           2HB      ALA 105   5.138  -8.686   4.777
  766    HB3  ALA 105           3HB      ALA 105   6.573  -7.717   4.441
  767    H    MET 106           H        MET 106   4.117  -5.771   2.305
  768    HA   MET 106           HA       MET 106   6.381  -4.080   1.860
  769    HB2  MET 106           2HB      MET 106   5.461  -3.605  -0.276
  770    HB3  MET 106           1HB      MET 106   5.102  -5.292   0.058
  771    HG2  MET 106           2HG      MET 106   2.856  -4.430   0.902
  772    HG3  MET 106           1HG      MET 106   3.256  -2.941   0.060
  773    HE1  MET 106           3HE      MET 106   3.452  -2.608  -2.306
  774    HE2  MET 106           1HE      MET 106   2.878  -3.687  -3.580
  775    HE3  MET 106           2HE      MET 106   4.494  -3.899  -2.910
  776    H    ILE 107           H        ILE 107   3.265  -3.569   3.257
  777    HA   ILE 107           HA       ILE 107   3.173  -0.738   2.830
  778    HB   ILE 107           HB       ILE 107   1.790  -2.370   4.985
  779   HG12  ILE 107          2HG1      ILE 107   0.631  -1.399   2.377
  780   HG13  ILE 107          1HG1      ILE 107   1.270  -3.025   2.606
  781   HG21  ILE 107          1HG2      ILE 107   0.254  -0.486   5.149
  782   HG22  ILE 107          2HG2      ILE 107   1.201   0.396   3.952
  783   HG23  ILE 107          3HG2      ILE 107   1.907   0.003   5.518
  784   HD11  ILE 107          3HD1      ILE 107  -0.369  -3.413   4.373
  785   HD12  ILE 107          1HD1      ILE 107  -1.138  -2.994   2.843
  786   HD13  ILE 107          2HD1      ILE 107  -1.012  -1.789   4.125
  787    H    LYS 108           H        LYS 108   4.340  -2.950   5.219
  788    HA   LYS 108           HA       LYS 108   5.166  -0.871   7.060
  789    HB2  LYS 108           2HB      LYS 108   4.226  -2.833   7.997
  790    HB3  LYS 108           1HB      LYS 108   5.269  -3.881   7.054
  791    HG2  LYS 108           2HG      LYS 108   6.428  -2.026   9.102
  792    HG3  LYS 108           1HG      LYS 108   5.715  -3.564   9.583
  793    HD2  LYS 108           2HD      LYS 108   7.953  -3.225   7.584
  794    HD3  LYS 108           1HD      LYS 108   8.160  -3.705   9.266
  795    HE2  LYS 108           2HE      LYS 108   6.585  -5.229   7.190
  796    HE3  LYS 108           1HE      LYS 108   8.217  -5.618   7.720
  797    HZ1  LYS 108           3HZ      LYS 108   5.805  -5.610   9.449
  798    HZ2  LYS 108           1HZ      LYS 108   7.372  -5.999   9.943
  799    HZ3  LYS 108           2HZ      LYS 108   6.568  -6.984   8.831
  800    H    ALA 109           H        ALA 109   6.532  -2.607   4.441
  801    HA   ALA 109           HA       ALA 109   9.237  -2.665   5.293
  802    HB1  ALA 109           1HB      ALA 109   8.147  -2.794   2.486
  803    HB2  ALA 109           2HB      ALA 109   8.347  -4.170   3.571
  804    HB3  ALA 109           3HB      ALA 109   9.761  -3.280   3.007
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1 -15.684  11.185  -4.000
    2    H2   MET   1           2HT      MET   1 -14.717   9.905  -4.527
    3    H3   MET   1           3HT      MET   1 -14.129  11.485  -4.579
    4    HA   MET   1           HA       MET   1 -13.196  10.219  -2.742
    5    HB2  MET   1           2HB      MET   1 -13.614  11.894  -1.001
    6    HB3  MET   1           1HB      MET   1 -13.368  12.648  -2.568
    7    HG2  MET   1           2HG      MET   1 -15.768  12.974  -2.802
    8    HG3  MET   1           1HG      MET   1 -16.034  12.186  -1.248
    9    HE1  MET   1           2HE      MET   1 -16.860  15.899  -0.387
   10    HE2  MET   1           3HE      MET   1 -17.421  14.228  -0.352
   11    HE3  MET   1           1HE      MET   1 -17.222  15.058  -1.894
   12    H    ALA   2           H        ALA   2 -15.822   8.892  -3.460
   13    HA   ALA   2           HA       ALA   2 -17.048   8.417  -0.881
   14    HB1  ALA   2           1HB      ALA   2 -18.433   8.487  -2.893
   15    HB2  ALA   2           2HB      ALA   2 -18.532   6.913  -2.108
   16    HB3  ALA   2           3HB      ALA   2 -17.549   7.114  -3.558
   17    H    PHE   3           H        PHE   3 -15.119   7.629   0.171
   18    HA   PHE   3           HA       PHE   3 -14.643   4.791  -0.390
   19    HB2  PHE   3           2HB      PHE   3 -12.471   6.854   0.034
   20    HB3  PHE   3           1HB      PHE   3 -12.206   5.114   0.002
   21    HD1  PHE   3           1HD      PHE   3 -12.787   3.854  -2.117
   22    HD2  PHE   3           2HD      PHE   3 -12.515   8.095  -1.942
   23    HE1  PHE   3           1HE      PHE   3 -12.541   3.934  -4.564
   24    HE2  PHE   3           2HE      PHE   3 -12.269   8.184  -4.389
   25    HZ   PHE   3           HZ       PHE   3 -12.283   6.102  -5.702
   26    H    ALA   4           H        ALA   4 -16.222   6.173   1.567
   27    HA   ALA   4           HA       ALA   4 -16.868   5.811   3.705
   28    HB1  ALA   4           1HB      ALA   4 -14.575   3.865   3.835
   29    HB2  ALA   4           2HB      ALA   4 -16.207   3.494   3.278
   30    HB3  ALA   4           3HB      ALA   4 -15.933   3.964   4.956
   31    H    GLY   5           H        GLY   5 -14.257   7.460   2.903
   32    HA2  GLY   5           2HA      GLY   5 -13.033   9.084   3.966
   33    HA3  GLY   5           1HA      GLY   5 -14.088   8.857   5.354
   34    H    ILE   6           H        ILE   6 -12.667   5.924   4.533
   35    HA   ILE   6           HA       ILE   6 -10.952   5.929   6.811
   36    HB   ILE   6           HB       ILE   6 -11.098   3.990   4.497
   37   HG12  ILE   6          2HG1      ILE   6 -12.238   3.912   7.296
   38   HG13  ILE   6          1HG1      ILE   6 -13.146   4.020   5.792
   39   HG21  ILE   6          1HG2      ILE   6  -9.652   3.724   7.129
   40   HG22  ILE   6          2HG2      ILE   6  -8.905   3.899   5.540
   41   HG23  ILE   6          3HG2      ILE   6  -9.834   2.451   5.923
   42   HD11  ILE   6          3HD1      ILE   6 -13.181   1.773   6.776
   43   HD12  ILE   6          1HD1      ILE   6 -11.426   1.689   6.609
   44   HD13  ILE   6          2HD1      ILE   6 -12.447   1.797   5.173
   45    H    LEU   7           H        LEU   7 -10.536   6.385   3.381
   46    HA   LEU   7           HA       LEU   7  -7.886   7.452   3.933
   47    HB2  LEU   7           2HB      LEU   7  -7.002   6.571   1.822
   48    HB3  LEU   7           1HB      LEU   7  -7.430   5.312   2.947
   49    HG   LEU   7           HG       LEU   7  -7.946   4.582   0.736
   50   HD11  LEU   7          1HD1      LEU   7 -10.234   3.966   0.887
   51   HD12  LEU   7          2HD1      LEU   7 -10.575   5.291   1.993
   52   HD13  LEU   7          3HD1      LEU   7  -9.542   3.957   2.509
   53   HD21  LEU   7          3HD2      LEU   7  -9.525   5.718  -0.738
   54   HD22  LEU   7          1HD2      LEU   7  -8.101   6.702  -0.405
   55   HD23  LEU   7          2HD2      LEU   7  -9.626   7.055   0.407
   56    H    ASN   8           H        ASN   8  -7.267   9.199   2.685
   57    HA   ASN   8           HA       ASN   8  -9.538  10.693   1.630
   58    HB2  ASN   8           2HB      ASN   8  -6.662  11.552   2.072
   59    HB3  ASN   8           1HB      ASN   8  -7.995  12.612   1.635
   60   HD21  ASN   8          1HD2      ASN   8  -9.897  11.283   3.400
   61   HD22  ASN   8          2HD2      ASN   8  -9.472  11.762   5.004
   62    H    ASP   9           H        ASP   9 -10.000  10.293  -0.433
   63    HA   ASP   9           HA       ASP   9  -8.313   9.010  -2.252
   64    HB2  ASP   9           2HB      ASP   9 -10.071   9.083  -3.708
   65    HB3  ASP   9           1HB      ASP   9 -10.936   9.516  -2.241
   66    H    ALA  10           H        ALA  10  -8.769  12.389  -1.562
   67    HA   ALA  10           HA       ALA  10  -7.467  13.444  -3.838
   68    HB1  ALA  10           1HB      ALA  10  -7.297  15.508  -2.537
   69    HB2  ALA  10           2HB      ALA  10  -7.753  14.627  -1.079
   70    HB3  ALA  10           3HB      ALA  10  -8.903  14.795  -2.404
   71    H    ASP  11           H        ASP  11  -6.294  12.328  -0.709
   72    HA   ASP  11           HA       ASP  11  -3.621  13.256  -1.096
   73    HB2  ASP  11           2HB      ASP  11  -4.896  11.362   0.859
   74    HB3  ASP  11           1HB      ASP  11  -3.150  11.577   0.808
   75    H    ILE  12           H        ILE  12  -5.268  10.184  -1.474
   76    HA   ILE  12           HA       ILE  12  -3.113   8.659  -2.400
   77    HB   ILE  12           HB       ILE  12  -6.074   8.546  -2.797
   78   HG12  ILE  12          2HG1      ILE  12  -5.727   6.278  -1.746
   79   HG13  ILE  12          1HG1      ILE  12  -4.035   6.703  -1.540
   80   HG21  ILE  12          1HG2      ILE  12  -4.100   6.743  -4.193
   81   HG22  ILE  12          2HG2      ILE  12  -5.241   7.853  -4.953
   82   HG23  ILE  12          3HG2      ILE  12  -5.834   6.444  -4.074
   83   HD11  ILE  12          3HD1      ILE  12  -6.378   8.136  -0.315
   84   HD12  ILE  12          1HD1      ILE  12  -4.680   8.563  -0.103
   85   HD13  ILE  12          2HD1      ILE  12  -5.284   7.023   0.509
   86    H    THR  13           H        THR  13  -5.469  10.636  -4.169
   87    HA   THR  13           HA       THR  13  -4.424  10.230  -6.744
   88    HB   THR  13           HB       THR  13  -5.929  12.648  -5.707
   89    HG1  THR  13           1HG      THR  13  -7.110  10.728  -5.381
   90   HG21  THR  13          3HG2      THR  13  -6.631  12.941  -8.037
   91   HG22  THR  13          1HG2      THR  13  -5.614  11.582  -8.518
   92   HG23  THR  13          2HG2      THR  13  -4.879  13.054  -7.880
   93    H    ALA  14           H        ALA  14  -3.549  12.498  -4.192
   94    HA   ALA  14           HA       ALA  14  -1.891  14.185  -5.736
   95    HB1  ALA  14           1HB      ALA  14  -2.693  14.781  -3.495
   96    HB2  ALA  14           2HB      ALA  14  -0.940  14.908  -3.619
   97    HB3  ALA  14           3HB      ALA  14  -1.668  13.526  -2.802
   98    H    ALA  15           H        ALA  15  -1.102  11.390  -3.669
   99    HA   ALA  15           HA       ALA  15   1.618  11.228  -4.265
  100    HB1  ALA  15           1HB      ALA  15   0.528   9.956  -2.468
  101    HB2  ALA  15           2HB      ALA  15   1.489   8.918  -3.521
  102    HB3  ALA  15           3HB      ALA  15  -0.267   8.948  -3.676
  103    H    LEU  16           H        LEU  16  -1.168   9.789  -5.911
  104    HA   LEU  16           HA       LEU  16   0.362   8.365  -7.834
  105    HB2  LEU  16           2HB      LEU  16  -2.529   9.213  -7.797
  106    HB3  LEU  16           1HB      LEU  16  -1.833   8.191  -9.037
  107    HG   LEU  16           HG       LEU  16  -1.795   7.469  -6.114
  108   HD11  LEU  16          1HD1      LEU  16  -4.101   7.688  -6.838
  109   HD12  LEU  16          2HD1      LEU  16  -3.678   5.990  -6.610
  110   HD13  LEU  16          3HD1      LEU  16  -3.772   6.667  -8.236
  111   HD21  LEU  16          3HD2      LEU  16  -1.368   5.222  -6.964
  112   HD22  LEU  16          1HD2      LEU  16  -0.129   6.350  -7.514
  113   HD23  LEU  16          2HD2      LEU  16  -1.404   5.832  -8.618
  114    H    ALA  17           H        ALA  17  -0.838  11.632  -7.677
  115    HA   ALA  17           HA       ALA  17  -0.530  12.267 -10.423
  116    HB1  ALA  17           1HB      ALA  17  -0.416  14.092  -8.025
  117    HB2  ALA  17           2HB      ALA  17  -1.869  13.654  -8.925
  118    HB3  ALA  17           3HB      ALA  17  -0.601  14.602  -9.703
  119    H    ALA  18           H        ALA  18   1.653  12.133  -7.706
  120    HA   ALA  18           HA       ALA  18   3.866  13.209  -9.250
  121    HB1  ALA  18           1HB      ALA  18   3.746  13.591  -6.824
  122    HB2  ALA  18           2HB      ALA  18   5.214  12.728  -7.280
  123    HB3  ALA  18           3HB      ALA  18   3.868  11.852  -6.552
  124    H    CYS  19           H        CYS  19   2.698  10.113  -8.076
  125    HA   CYS  19           HA       CYS  19   4.928   8.662  -9.226
  126    HB2  CYS  19           2HB      CYS  19   4.061   8.059  -7.015
  127    HB3  CYS  19           1HB      CYS  19   2.481   7.720  -7.708
  128    HG   CYS  19           HG       CYS  19   3.384   5.529  -9.200
  129    H    LYS  20           H        LYS  20   3.099  10.070 -11.044
  130    HA   LYS  20           HA       LYS  20   1.986   7.822 -12.529
  131    HB2  LYS  20           2HB      LYS  20   0.940   9.529 -13.908
  132    HB3  LYS  20           1HB      LYS  20   0.550   9.790 -12.224
  133    HG2  LYS  20           2HG      LYS  20   2.186  11.573 -12.105
  134    HG3  LYS  20           1HG      LYS  20   2.655  11.278 -13.782
  135    HD2  LYS  20           2HD      LYS  20   0.383  11.849 -14.506
  136    HD3  LYS  20           1HD      LYS  20  -0.072  12.156 -12.831
  137    HE2  LYS  20           2HE      LYS  20   0.417  14.236 -14.006
  138    HE3  LYS  20           1HE      LYS  20   1.567  13.952 -12.703
  139    HZ1  LYS  20           3HZ      LYS  20   2.100  13.298 -15.549
  140    HZ2  LYS  20           1HZ      LYS  20   3.206  13.261 -14.269
  141    HZ3  LYS  20           2HZ      LYS  20   2.582  14.737 -14.807
  142    H    ALA  21           H        ALA  21   4.778   9.589 -12.230
  143    HA   ALA  21           HA       ALA  21   5.509   9.905 -14.969
  144    HB1  ALA  21           1HB      ALA  21   7.208   9.970 -12.480
  145    HB2  ALA  21           2HB      ALA  21   6.419  11.353 -13.238
  146    HB3  ALA  21           3HB      ALA  21   7.710  10.501 -14.085
  147    H    GLU  22           H        GLU  22   5.941   8.260 -16.266
  148    HA   GLU  22           HA       GLU  22   6.559   5.653 -15.428
  149    HB2  GLU  22           2HB      GLU  22   7.109   6.954 -18.101
  150    HB3  GLU  22           1HB      GLU  22   7.115   5.223 -17.783
  151    HG2  GLU  22           2HG      GLU  22   4.728   5.389 -17.131
  152    HG3  GLU  22           1HG      GLU  22   4.757   7.084 -17.618
  153    H    GLY  23           H        GLY  23   8.388   4.730 -14.811
  154    HA2  GLY  23           2HA      GLY  23  10.680   4.360 -14.637
  155    HA3  GLY  23           1HA      GLY  23  10.965   5.822 -15.571
  156    H    SER  24           H        SER  24   8.779   6.582 -13.208
  157    HA   SER  24           HA       SER  24  10.725   7.058 -11.098
  158    HB2  SER  24           2HB      SER  24   9.250   9.327 -12.462
  159    HB3  SER  24           1HB      SER  24  10.263   9.477 -11.024
  160    HG   SER  24           HG       SER  24  11.753   8.245 -12.764
  161    H    PHE  25           H        PHE  25   9.145   5.425 -10.297
  162    HA   PHE  25           HA       PHE  25   6.662   6.671  -9.310
  163    HB2  PHE  25           2HB      PHE  25   7.373   3.734  -9.480
  164    HB3  PHE  25           1HB      PHE  25   5.826   4.399  -8.981
  165    HD1  PHE  25           2HD      PHE  25   4.358   5.481 -10.649
  166    HD2  PHE  25           1HD      PHE  25   7.943   3.490 -11.770
  167    HE1  PHE  25           2HE      PHE  25   3.563   5.371 -12.972
  168    HE2  PHE  25           1HE      PHE  25   7.154   3.373 -14.096
  169    HZ   PHE  25           HZ       PHE  25   4.960   4.313 -14.700
  170    H    ASP  26           H        ASP  26   6.146   6.511  -7.104
  171    HA   ASP  26           HA       ASP  26   8.298   5.485  -5.378
  172    HB2  ASP  26           2HB      ASP  26   6.699   8.019  -5.042
  173    HB3  ASP  26           1HB      ASP  26   7.583   7.267  -3.720
  174    H    HIS  27           H        HIS  27   7.257   3.558  -5.210
  175    HA   HIS  27           HA       HIS  27   4.524   3.228  -4.589
  176    HB2  HIS  27           2HB      HIS  27   6.100   1.627  -5.755
  177    HB3  HIS  27           1HB      HIS  27   6.757   1.248  -4.172
  178    HD1  HIS  27           1HD      HIS  27   4.275   0.204  -6.548
  179    HD2  HIS  27           2HD      HIS  27   4.700   0.068  -2.411
  180    HE1  HIS  27           1HE      HIS  27   2.670  -1.569  -5.752
  181    HE2  HIS  27           2HE      HIS  27   3.160  -1.810  -3.291
  182    H    LYS  28           H        LYS  28   7.451   2.994  -2.639
  183    HA   LYS  28           HA       LYS  28   6.161   2.369  -0.200
  184    HB2  LYS  28           2HB      LYS  28   8.569   2.028  -0.647
  185    HB3  LYS  28           1HB      LYS  28   8.767   3.774  -0.684
  186    HG2  LYS  28           2HG      LYS  28   8.229   3.955   1.641
  187    HG3  LYS  28           1HG      LYS  28   7.790   2.246   1.716
  188    HD2  LYS  28           2HD      LYS  28  10.109   1.640   1.181
  189    HD3  LYS  28           1HD      LYS  28  10.539   3.350   1.140
  190    HE2  LYS  28           2HE      LYS  28  10.033   3.596   3.469
  191    HE3  LYS  28           1HE      LYS  28   9.373   1.962   3.546
  192    HZ1  LYS  28           3HZ      LYS  28  12.206   2.676   3.021
  193    HZ2  LYS  28           1HZ      LYS  28  11.583   1.104   3.044
  194    HZ3  LYS  28           2HZ      LYS  28  11.591   2.028   4.459
  195    H    ALA  29           H        ALA  29   7.346   5.405  -1.601
  196    HA   ALA  29           HA       ALA  29   6.606   7.112   0.475
  197    HB1  ALA  29           1HB      ALA  29   6.902   8.904  -1.003
  198    HB2  ALA  29           2HB      ALA  29   6.479   7.929  -2.405
  199    HB3  ALA  29           3HB      ALA  29   8.014   7.660  -1.578
  200    H    PHE  30           H        PHE  30   4.743   5.723  -2.141
  201    HA   PHE  30           HA       PHE  30   2.416   7.225  -1.941
  202    HB2  PHE  30           2HB      PHE  30   2.721   5.607  -3.721
  203    HB3  PHE  30           1HB      PHE  30   2.762   4.284  -2.562
  204    HD1  PHE  30           1HD      PHE  30   0.568   6.919  -3.971
  205    HD2  PHE  30           2HD      PHE  30   0.794   3.207  -1.901
  206    HE1  PHE  30           1HE      PHE  30  -1.865   6.641  -4.206
  207    HE2  PHE  30           2HE      PHE  30  -1.638   2.924  -2.133
  208    HZ   PHE  30           HZ       PHE  30  -2.971   4.642  -3.287
  209    H    PHE  31           H        PHE  31   3.208   4.175  -0.216
  210    HA   PHE  31           HA       PHE  31   0.826   4.139   1.291
  211    HB2  PHE  31           2HB      PHE  31   3.477   2.927   2.096
  212    HB3  PHE  31           1HB      PHE  31   1.906   2.538   2.772
  213    HD1  PHE  31           1HD      PHE  31   0.186   2.260   0.489
  214    HD2  PHE  31           2HD      PHE  31   4.241   1.077   0.974
  215    HE1  PHE  31           1HE      PHE  31  -0.135   0.493  -1.190
  216    HE2  PHE  31           2HE      PHE  31   3.930  -0.689  -0.705
  217    HZ   PHE  31           HZ       PHE  31   1.739  -0.982  -1.792
  218    H    THR  32           H        THR  32   3.993   5.528   2.070
  219    HA   THR  32           HA       THR  32   3.174   6.219   4.724
  220    HB   THR  32           HB       THR  32   5.492   5.782   4.441
  221    HG1  THR  32           1HG      THR  32   4.613   8.050   5.465
  222   HG21  THR  32          3HG2      THR  32   5.829   6.226   2.117
  223   HG22  THR  32          1HG2      THR  32   6.939   7.246   3.030
  224   HG23  THR  32          2HG2      THR  32   5.473   7.943   2.340
  225    H    LYS  33           H        LYS  33   2.891   7.731   1.658
  226    HA   LYS  33           HA       LYS  33   2.567  10.397   2.711
  227    HB2  LYS  33           2HB      LYS  33   3.486   9.954   0.466
  228    HB3  LYS  33           1HB      LYS  33   1.928   9.313  -0.029
  229    HG2  LYS  33           2HG      LYS  33   0.889  11.453   0.220
  230    HG3  LYS  33           1HG      LYS  33   2.349  12.130   0.940
  231    HD2  LYS  33           2HD      LYS  33   2.156  11.051  -1.871
  232    HD3  LYS  33           1HD      LYS  33   2.046  12.757  -1.439
  233    HE2  LYS  33           2HE      LYS  33   4.308  12.605  -0.444
  234    HE3  LYS  33           1HE      LYS  33   4.409  10.935  -0.995
  235    HZ1  LYS  33           3HZ      LYS  33   4.063  13.298  -2.755
  236    HZ2  LYS  33           1HZ      LYS  33   4.216  11.693  -3.261
  237    HZ3  LYS  33           2HZ      LYS  33   5.515  12.467  -2.509
  238    H    VAL  34           H        VAL  34   0.431   7.892   1.377
  239    HA   VAL  34           HA       VAL  34  -1.914   9.452   1.840
  240    HB   VAL  34           HB       VAL  34  -3.100   7.571   0.984
  241   HG11  VAL  34          1HG1      VAL  34  -1.993   7.257  -1.180
  242   HG12  VAL  34          2HG1      VAL  34  -0.522   7.951  -0.502
  243   HG13  VAL  34          3HG1      VAL  34  -1.974   8.940  -0.654
  244   HG21  VAL  34          3HG2      VAL  34  -0.544   6.007   1.203
  245   HG22  VAL  34          1HG2      VAL  34  -2.036   5.434   0.457
  246   HG23  VAL  34          2HG2      VAL  34  -1.990   5.780   2.186
  247    H    GLY  35           H        GLY  35   0.055   7.529   3.780
  248    HA2  GLY  35           2HA      GLY  35  -0.151   7.130   6.051
  249    HA3  GLY  35           1HA      GLY  35  -1.786   7.765   5.984
  250    H    LEU  36           H        LEU  36  -0.769   5.235   3.822
  251    HA   LEU  36           HA       LEU  36  -2.859   3.521   4.798
  252    HB2  LEU  36           2HB      LEU  36  -2.089   3.754   2.377
  253    HB3  LEU  36           1HB      LEU  36  -0.705   2.777   2.826
  254    HG   LEU  36           HG       LEU  36  -2.273   0.954   3.498
  255   HD11  LEU  36          1HD1      LEU  36  -4.591   1.079   2.711
  256   HD12  LEU  36          2HD1      LEU  36  -4.333   2.759   2.241
  257   HD13  LEU  36          3HD1      LEU  36  -4.244   2.296   3.938
  258   HD21  LEU  36          3HD2      LEU  36  -1.204   0.902   1.323
  259   HD22  LEU  36          1HD2      LEU  36  -2.474   1.926   0.651
  260   HD23  LEU  36          2HD2      LEU  36  -2.855   0.295   1.203
  261    H    ALA  37           H        ALA  37   0.379   4.039   5.583
  262    HA   ALA  37           HA       ALA  37   1.080   1.405   6.436
  263    HB1  ALA  37           1HB      ALA  37   2.293   4.049   7.230
  264    HB2  ALA  37           2HB      ALA  37   2.753   3.096   5.820
  265    HB3  ALA  37           3HB      ALA  37   3.019   2.455   7.443
  266    H    ALA  38           H        ALA  38  -0.973   3.752   7.700
  267    HA   ALA  38           HA       ALA  38  -0.640   2.790  10.452
  268    HB1  ALA  38           1HB      ALA  38  -2.159   5.184   9.421
  269    HB2  ALA  38           2HB      ALA  38  -0.561   5.213  10.163
  270    HB3  ALA  38           3HB      ALA  38  -1.966   4.735  11.114
  271    H    LYS  39           H        LYS  39  -1.966   1.293   8.255
  272    HA   LYS  39           HA       LYS  39  -4.759   1.325   9.104
  273    HB2  LYS  39           2HB      LYS  39  -3.387  -0.147   6.853
  274    HB3  LYS  39           1HB      LYS  39  -5.099  -0.317   7.232
  275    HG2  LYS  39           2HG      LYS  39  -3.631   2.102   6.208
  276    HG3  LYS  39           1HG      LYS  39  -4.972   1.226   5.463
  277    HD2  LYS  39           2HD      LYS  39  -6.435   1.950   7.317
  278    HD3  LYS  39           1HD      LYS  39  -5.092   2.876   7.985
  279    HE2  LYS  39           2HE      LYS  39  -5.003   4.142   5.835
  280    HE3  LYS  39           1HE      LYS  39  -6.484   3.312   5.352
  281    HZ1  LYS  39           3HZ      LYS  39  -7.551   4.233   7.351
  282    HZ2  LYS  39           1HZ      LYS  39  -7.020   5.441   6.295
  283    HZ3  LYS  39           2HZ      LYS  39  -6.144   5.098   7.699
  284    H    SER  40           H        SER  40  -5.747  -0.259  10.138
  285    HA   SER  40           HA       SER  40  -4.152  -2.259  11.476
  286    HB2  SER  40           2HB      SER  40  -6.059  -0.919  12.527
  287    HB3  SER  40           1HB      SER  40  -7.162  -1.895  11.561
  288    HG   SER  40           HG       SER  40  -6.978  -3.408  12.989
  289    HA   PRO  41           HA       PRO  41  -4.520  -5.749   8.798
  290    HB2  PRO  41           2HB      PRO  41  -6.155  -7.002  10.973
  291    HB3  PRO  41           1HB      PRO  41  -4.848  -7.702  10.011
  292    HG2  PRO  41           2HG      PRO  41  -4.381  -6.836  12.478
  293    HG3  PRO  41           1HG      PRO  41  -3.197  -6.569  11.185
  294    HD2  PRO  41           2HD      PRO  41  -5.012  -4.635  12.512
  295    HD3  PRO  41           1HD      PRO  41  -3.438  -4.364  11.744
  296    H    ALA  42           H        ALA  42  -7.545  -4.870  10.446
  297    HA   ALA  42           HA       ALA  42  -9.341  -6.128   8.717
  298    HB1  ALA  42           1HB      ALA  42  -9.976  -5.197  10.885
  299    HB2  ALA  42           2HB      ALA  42 -11.016  -4.601   9.591
  300    HB3  ALA  42           3HB      ALA  42  -9.748  -3.568  10.250
  301    H    ASP  43           H        ASP  43  -7.985  -2.829   8.540
  302    HA   ASP  43           HA       ASP  43  -9.513  -2.262   6.161
  303    HB2  ASP  43           2HB      ASP  43  -8.856  -0.504   7.863
  304    HB3  ASP  43           1HB      ASP  43  -7.216  -0.622   7.231
  305    H    ILE  44           H        ILE  44  -6.308  -3.389   6.934
  306    HA   ILE  44           HA       ILE  44  -5.347  -3.168   4.257
  307    HB   ILE  44           HB       ILE  44  -4.412  -4.679   6.671
  308   HG12  ILE  44          2HG1      ILE  44  -3.859  -2.365   6.669
  309   HG13  ILE  44          1HG1      ILE  44  -2.384  -3.251   6.292
  310   HG21  ILE  44          1HG2      ILE  44  -2.452  -5.462   5.406
  311   HG22  ILE  44          2HG2      ILE  44  -3.186  -4.865   3.919
  312   HG23  ILE  44          3HG2      ILE  44  -3.949  -6.180   4.813
  313   HD11  ILE  44          3HD1      ILE  44  -4.121  -1.700   4.395
  314   HD12  ILE  44          1HD1      ILE  44  -2.800  -2.752   3.885
  315   HD13  ILE  44          2HD1      ILE  44  -2.468  -1.343   4.893
  316    H    LYS  45           H        LYS  45  -7.427  -5.341   5.921
  317    HA   LYS  45           HA       LYS  45  -7.259  -7.522   4.096
  318    HB2  LYS  45           2HB      LYS  45  -8.197  -7.646   6.429
  319    HB3  LYS  45           1HB      LYS  45  -9.613  -6.785   5.838
  320    HG2  LYS  45           2HG      LYS  45 -10.067  -9.146   5.912
  321    HG3  LYS  45           1HG      LYS  45 -10.018  -8.605   4.232
  322    HD2  LYS  45           2HD      LYS  45  -7.670  -9.402   4.098
  323    HD3  LYS  45           1HD      LYS  45  -7.832 -10.047   5.732
  324    HE2  LYS  45           2HE      LYS  45  -9.428 -10.848   3.310
  325    HE3  LYS  45           1HE      LYS  45  -8.165 -11.798   4.091
  326    HZ1  LYS  45           3HZ      LYS  45  -9.591 -11.757   6.125
  327    HZ2  LYS  45           1HZ      LYS  45 -10.232 -12.632   4.829
  328    HZ3  LYS  45           2HZ      LYS  45 -10.829 -11.092   5.184
  329    H    LYS  46           H        LYS  46  -9.394  -4.662   4.315
  330    HA   LYS  46           HA       LYS  46 -10.803  -5.371   1.937
  331    HB2  LYS  46           2HB      LYS  46 -11.556  -2.998   1.888
  332    HB3  LYS  46           1HB      LYS  46 -11.861  -3.802   3.416
  333    HG2  LYS  46           2HG      LYS  46 -11.085  -1.801   4.150
  334    HG3  LYS  46           1HG      LYS  46  -9.580  -2.713   4.086
  335    HD2  LYS  46           2HD      LYS  46  -8.997  -0.733   3.045
  336    HD3  LYS  46           1HD      LYS  46  -9.413  -1.761   1.672
  337    HE2  LYS  46           2HE      LYS  46 -10.381   0.470   1.451
  338    HE3  LYS  46           1HE      LYS  46 -11.629  -0.770   1.585
  339    HZ1  LYS  46           3HZ      LYS  46 -11.915   1.328   2.953
  340    HZ2  LYS  46           1HZ      LYS  46 -10.677   0.735   3.950
  341    HZ3  LYS  46           2HZ      LYS  46 -12.117  -0.141   3.765
  342    H    VAL  47           H        VAL  47  -7.803  -3.742   2.622
  343    HA   VAL  47           HA       VAL  47  -7.258  -2.820   0.023
  344    HB   VAL  47           HB       VAL  47  -5.349  -3.707   2.191
  345   HG11  VAL  47          1HG1      VAL  47  -4.251  -3.891   0.028
  346   HG12  VAL  47          2HG1      VAL  47  -3.612  -2.517   0.929
  347   HG13  VAL  47          3HG1      VAL  47  -4.758  -2.253  -0.385
  348   HG21  VAL  47          3HG2      VAL  47  -5.007  -1.293   2.498
  349   HG22  VAL  47          1HG2      VAL  47  -6.684  -1.762   2.779
  350   HG23  VAL  47          2HG2      VAL  47  -6.230  -0.973   1.268
  351    H    PHE  48           H        PHE  48  -6.700  -5.953   1.595
  352    HA   PHE  48           HA       PHE  48  -5.580  -7.438  -0.419
  353    HB2  PHE  48           2HB      PHE  48  -6.027  -8.796   1.359
  354    HB3  PHE  48           1HB      PHE  48  -7.555  -8.009   1.712
  355    HD1  PHE  48           1HD      PHE  48  -6.089 -10.178  -0.982
  356    HD2  PHE  48           2HD      PHE  48  -9.437  -9.276   1.487
  357    HE1  PHE  48           1HE      PHE  48  -7.306 -12.086  -1.942
  358    HE2  PHE  48           2HE      PHE  48 -10.658 -11.180   0.528
  359    HZ   PHE  48           HZ       PHE  48  -9.594 -12.589  -1.187
  360    H    GLU  49           H        GLU  49  -9.018  -6.660  -0.080
  361    HA   GLU  49           HA       GLU  49  -9.812  -7.888  -2.500
  362    HB2  GLU  49           2HB      GLU  49 -11.144  -5.608  -1.016
  363    HB3  GLU  49           1HB      GLU  49 -11.908  -6.658  -2.204
  364    HG2  GLU  49           2HG      GLU  49 -11.591  -8.572  -0.735
  365    HG3  GLU  49           1HG      GLU  49 -10.788  -7.543   0.447
  366    H    ILE  50           H        ILE  50  -8.215  -4.919  -1.850
  367    HA   ILE  50           HA       ILE  50  -8.919  -3.703  -4.365
  368    HB   ILE  50           HB       ILE  50  -6.642  -2.877  -2.571
  369   HG12  ILE  50          2HG1      ILE  50  -9.509  -1.908  -2.540
  370   HG13  ILE  50          1HG1      ILE  50  -8.796  -2.967  -1.327
  371   HG21  ILE  50          1HG2      ILE  50  -8.271  -1.401  -4.637
  372   HG22  ILE  50          2HG2      ILE  50  -6.598  -1.925  -4.809
  373   HG23  ILE  50          3HG2      ILE  50  -7.017  -0.688  -3.626
  374   HD11  ILE  50          3HD1      ILE  50  -7.132  -1.156  -0.862
  375   HD12  ILE  50          1HD1      ILE  50  -8.804  -0.767  -0.446
  376   HD13  ILE  50          2HD1      ILE  50  -8.085  -0.110  -1.916
  377    H    ILE  51           H        ILE  51  -5.931  -5.321  -3.091
  378    HA   ILE  51           HA       ILE  51  -4.606  -5.093  -5.610
  379    HB   ILE  51           HB       ILE  51  -3.199  -7.159  -4.762
  380   HG12  ILE  51          2HG1      ILE  51  -5.046  -7.193  -2.723
  381   HG13  ILE  51          1HG1      ILE  51  -3.418  -7.855  -2.585
  382   HG21  ILE  51          1HG2      ILE  51  -3.035  -4.442  -3.457
  383   HG22  ILE  51          2HG2      ILE  51  -2.368  -4.901  -5.023
  384   HG23  ILE  51          3HG2      ILE  51  -1.736  -5.632  -3.548
  385   HD11  ILE  51          3HD1      ILE  51  -3.874  -6.504  -0.669
  386   HD12  ILE  51          1HD1      ILE  51  -4.363  -5.140  -1.678
  387   HD13  ILE  51          2HD1      ILE  51  -2.680  -5.671  -1.663
  388    H    ASP  52           H        ASP  52  -6.833  -7.375  -4.202
  389    HA   ASP  52           HA       ASP  52  -6.721  -9.100  -6.515
  390    HB2  ASP  52           2HB      ASP  52  -7.562  -9.667  -4.047
  391    HB3  ASP  52           1HB      ASP  52  -9.092  -9.075  -4.685
  392    H    GLN  53           H        GLN  53  -6.993  -6.861  -7.725
  393    HA   GLN  53           HA       GLN  53  -9.252  -5.345  -7.880
  394    HB2  GLN  53           2HB      GLN  53  -7.631  -4.568  -9.288
  395    HB3  GLN  53           1HB      GLN  53  -7.163  -6.175  -9.811
  396    HG2  GLN  53           2HG      GLN  53  -8.034  -5.015 -11.686
  397    HG3  GLN  53           1HG      GLN  53  -9.200  -6.247 -11.226
  398   HE21  GLN  53          1HE2      GLN  53 -10.875  -5.208 -12.250
  399   HE22  GLN  53          2HE2      GLN  53 -11.584  -3.752 -11.640
  400    H    ASP  54           H        ASP  54  -8.711  -8.402  -9.488
  401    HA   ASP  54           HA       ASP  54 -11.301  -8.430 -10.751
  402    HB2  ASP  54           2HB      ASP  54  -9.728  -9.467 -12.083
  403    HB3  ASP  54           1HB      ASP  54  -8.918 -10.226 -10.723
  404    H    LYS  55           H        LYS  55 -10.106  -9.399  -7.708
  405    HA   LYS  55           HA       LYS  55 -11.056 -10.404  -5.911
  406    HB2  LYS  55           2HB      LYS  55 -13.540  -9.917  -7.526
  407    HB3  LYS  55           1HB      LYS  55 -13.593 -10.626  -5.920
  408    HG2  LYS  55           2HG      LYS  55 -12.457  -7.926  -6.602
  409    HG3  LYS  55           1HG      LYS  55 -14.064  -8.210  -5.942
  410    HD2  LYS  55           2HD      LYS  55 -11.609  -9.182  -4.515
  411    HD3  LYS  55           1HD      LYS  55 -12.157  -7.520  -4.342
  412    HE2  LYS  55           2HE      LYS  55 -13.076  -8.716  -2.523
  413    HE3  LYS  55           1HE      LYS  55 -14.397  -8.442  -3.654
  414    HZ1  LYS  55           3HZ      LYS  55 -12.853 -10.969  -3.555
  415    HZ2  LYS  55           1HZ      LYS  55 -14.313 -10.683  -4.355
  416    HZ3  LYS  55           2HZ      LYS  55 -14.264 -10.718  -2.667
  417    H    SER  56           H        SER  56  -9.756 -12.196  -6.878
  418    HA   SER  56           HA       SER  56 -11.442 -14.437  -7.779
  419    HB2  SER  56           2HB      SER  56  -8.655 -14.974  -8.087
  420    HB3  SER  56           1HB      SER  56  -9.865 -14.725  -9.349
  421    HG   SER  56           HG       SER  56  -9.335 -12.645  -9.517
  422    H    ASP  57           H        ASP  57 -10.521 -13.328  -4.992
  423    HA   ASP  57           HA       ASP  57  -9.842 -14.066  -2.960
  424    HB2  ASP  57           2HB      ASP  57 -10.485 -16.749  -4.188
  425    HB3  ASP  57           1HB      ASP  57  -9.942 -16.572  -2.525
  426    H    PHE  58           H        PHE  58  -8.151 -13.945  -5.438
  427    HA   PHE  58           HA       PHE  58  -5.633 -14.701  -4.239
  428    HB2  PHE  58           2HB      PHE  58  -6.621 -15.866  -6.853
  429    HB3  PHE  58           1HB      PHE  58  -4.909 -15.720  -6.492
  430    HD1  PHE  58           1HD      PHE  58  -3.892 -17.078  -4.738
  431    HD2  PHE  58           2HD      PHE  58  -7.977 -17.551  -5.829
  432    HE1  PHE  58           1HE      PHE  58  -3.933 -19.263  -3.610
  433    HE2  PHE  58           2HE      PHE  58  -8.027 -19.738  -4.701
  434    HZ   PHE  58           HZ       PHE  58  -6.005 -20.596  -3.589
  435    H    VAL  59           H        VAL  59  -4.135 -13.152  -4.771
  436    HA   VAL  59           HA       VAL  59  -5.119 -11.006  -6.499
  437    HB   VAL  59           HB       VAL  59  -2.946 -11.065  -4.435
  438   HG11  VAL  59          1HG1      VAL  59  -2.405  -9.541  -6.267
  439   HG12  VAL  59          2HG1      VAL  59  -2.663  -8.759  -4.712
  440   HG13  VAL  59          3HG1      VAL  59  -3.920  -8.692  -5.946
  441   HG21  VAL  59          3HG2      VAL  59  -5.212 -11.164  -3.540
  442   HG22  VAL  59          1HG2      VAL  59  -5.611  -9.698  -4.436
  443   HG23  VAL  59          2HG2      VAL  59  -4.412  -9.644  -3.144
  444    H    GLU  60           H        GLU  60  -4.476 -10.983  -8.496
  445    HA   GLU  60           HA       GLU  60  -2.067 -12.406  -9.327
  446    HB2  GLU  60           2HB      GLU  60  -4.437 -11.307 -10.831
  447    HB3  GLU  60           1HB      GLU  60  -3.026 -11.956 -11.641
  448    HG2  GLU  60           2HG      GLU  60  -4.757 -13.609 -11.580
  449    HG3  GLU  60           1HG      GLU  60  -3.420 -14.125 -10.564
  450    H    GLU  61           H        GLU  61  -1.091 -11.292 -11.458
  451    HA   GLU  61           HA       GLU  61   0.078  -8.813 -10.557
  452    HB2  GLU  61           2HB      GLU  61   1.475 -10.447 -11.677
  453    HB3  GLU  61           1HB      GLU  61   0.438 -10.403 -13.095
  454    HG2  GLU  61           2HG      GLU  61   1.084  -8.118 -13.542
  455    HG3  GLU  61           1HG      GLU  61   2.058  -8.077 -12.074
  456    H    ASP  62           H        ASP  62  -2.007  -9.802 -13.247
  457    HA   ASP  62           HA       ASP  62  -2.204  -7.242 -14.421
  458    HB2  ASP  62           2HB      ASP  62  -2.839  -9.441 -15.506
  459    HB3  ASP  62           1HB      ASP  62  -4.314  -9.401 -14.542
  460    H    GLU  63           H        GLU  63  -3.598  -8.641 -11.652
  461    HA   GLU  63           HA       GLU  63  -5.765  -6.803 -11.372
  462    HB2  GLU  63           2HB      GLU  63  -4.401  -8.662  -9.441
  463    HB3  GLU  63           1HB      GLU  63  -5.771  -7.646  -9.000
  464    HG2  GLU  63           2HG      GLU  63  -7.089  -8.712 -10.786
  465    HG3  GLU  63           1HG      GLU  63  -5.727  -9.782 -11.110
  466    H    LEU  64           H        LEU  64  -2.425  -6.968 -10.262
  467    HA   LEU  64           HA       LEU  64  -2.520  -4.665  -8.628
  468    HB2  LEU  64           2HB      LEU  64  -0.421  -6.359  -9.796
  469    HB3  LEU  64           1HB      LEU  64   0.054  -4.695  -9.519
  470    HG   LEU  64           HG       LEU  64   0.644  -6.177  -7.640
  471   HD11  LEU  64          1HD1      LEU  64  -0.258  -4.779  -5.860
  472   HD12  LEU  64          2HD1      LEU  64  -1.464  -4.130  -6.970
  473   HD13  LEU  64          3HD1      LEU  64   0.248  -3.804  -7.240
  474   HD21  LEU  64          3HD2      LEU  64  -1.119  -7.068  -6.200
  475   HD22  LEU  64          1HD2      LEU  64  -1.196  -7.760  -7.820
  476   HD23  LEU  64          2HD2      LEU  64  -2.337  -6.504  -7.342
  477    H    LYS  65           H        LYS  65  -2.416  -5.152 -12.012
  478    HA   LYS  65           HA       LYS  65  -1.451  -2.657 -12.856
  479    HB2  LYS  65           2HB      LYS  65  -2.770  -4.943 -14.023
  480    HB3  LYS  65           1HB      LYS  65  -3.427  -3.455 -14.683
  481    HG2  LYS  65           2HG      LYS  65  -1.563  -4.427 -15.990
  482    HG3  LYS  65           1HG      LYS  65  -1.295  -2.765 -15.467
  483    HD2  LYS  65           2HD      LYS  65   0.262  -3.406 -13.846
  484    HD3  LYS  65           1HD      LYS  65  -0.252  -5.099 -13.884
  485    HE2  LYS  65           2HE      LYS  65   0.684  -5.405 -16.048
  486    HE3  LYS  65           1HE      LYS  65   1.009  -3.680 -16.222
  487    HZ1  LYS  65           3HZ      LYS  65   2.325  -5.569 -14.352
  488    HZ2  LYS  65           1HZ      LYS  65   2.580  -3.895 -14.346
  489    HZ3  LYS  65           2HZ      LYS  65   3.022  -4.820 -15.693
  490    H    LEU  66           H        LEU  66  -4.815  -3.745 -12.345
  491    HA   LEU  66           HA       LEU  66  -5.646  -0.938 -12.523
  492    HB2  LEU  66           2HB      LEU  66  -7.306  -3.449 -12.678
  493    HB3  LEU  66           1HB      LEU  66  -7.943  -1.817 -12.768
  494    HG   LEU  66           HG       LEU  66  -7.831  -2.323 -14.994
  495   HD11  LEU  66          1HD1      LEU  66  -5.818  -1.298 -15.991
  496   HD12  LEU  66          2HD1      LEU  66  -5.059  -1.287 -14.395
  497   HD13  LEU  66          3HD1      LEU  66  -6.510  -0.328 -14.693
  498   HD21  LEU  66          3HD2      LEU  66  -5.352  -3.937 -14.427
  499   HD22  LEU  66          1HD2      LEU  66  -6.047  -3.694 -16.029
  500   HD23  LEU  66          2HD2      LEU  66  -6.963  -4.553 -14.791
  501    H    PHE  67           H        PHE  67  -4.677  -2.937 -10.222
  502    HA   PHE  67           HA       PHE  67  -6.420  -2.824  -8.098
  503    HB2  PHE  67           2HB      PHE  67  -4.518  -3.912  -7.458
  504    HB3  PHE  67           1HB      PHE  67  -3.485  -2.916  -8.467
  505    HD1  PHE  67           2HD      PHE  67  -5.125  -3.155  -5.177
  506    HD2  PHE  67           1HD      PHE  67  -2.303  -1.063  -7.573
  507    HE1  PHE  67           2HE      PHE  67  -4.286  -2.002  -3.173
  508    HE2  PHE  67           1HE      PHE  67  -1.454   0.090  -5.574
  509    HZ   PHE  67           HZ       PHE  67  -2.447  -0.376  -3.370
  510    H    LEU  68           H        LEU  68  -4.564  -0.317  -9.610
  511    HA   LEU  68           HA       LEU  68  -4.607   1.665  -7.625
  512    HB2  LEU  68           2HB      LEU  68  -4.476   1.929 -10.625
  513    HB3  LEU  68           1HB      LEU  68  -4.163   3.233  -9.502
  514    HG   LEU  68           HG       LEU  68  -2.057   2.481 -10.240
  515   HD11  LEU  68          1HD1      LEU  68  -2.564   1.236  -7.548
  516   HD12  LEU  68          2HD1      LEU  68  -2.156   2.924  -7.859
  517   HD13  LEU  68          3HD1      LEU  68  -0.988   1.652  -8.217
  518   HD21  LEU  68          3HD2      LEU  68  -2.836  -0.336  -9.519
  519   HD22  LEU  68          1HD2      LEU  68  -1.319   0.193 -10.243
  520   HD23  LEU  68          2HD2      LEU  68  -2.826   0.317 -11.159
  521    H    GLN  69           H        GLN  69  -6.629   1.304 -10.523
  522    HA   GLN  69           HA       GLN  69  -8.348   3.449  -9.737
  523    HB2  GLN  69           2HB      GLN  69  -9.709   2.795 -11.682
  524    HB3  GLN  69           1HB      GLN  69  -8.012   2.979 -12.094
  525    HG2  GLN  69           2HG      GLN  69  -7.702   0.725 -12.414
  526    HG3  GLN  69           1HG      GLN  69  -9.090   0.288 -11.422
  527   HE21  GLN  69          1HE2      GLN  69  -8.408  -0.511 -14.151
  528   HE22  GLN  69          2HE2      GLN  69  -9.750  -0.046 -15.133
  529    H    ASN  70           H        ASN  70  -8.000   0.343  -8.689
  530    HA   ASN  70           HA       ASN  70 -10.801  -0.062  -7.983
  531    HB2  ASN  70           2HB      ASN  70  -9.258  -1.960  -8.593
  532    HB3  ASN  70           1HB      ASN  70  -8.369  -1.639  -7.109
  533   HD21  ASN  70          1HD2      ASN  70  -8.807  -3.685  -6.325
  534   HD22  ASN  70          2HD2      ASN  70 -10.375  -4.127  -5.737
  535    H    PHE  71           H        PHE  71  -7.869   1.196  -6.713
  536    HA   PHE  71           HA       PHE  71  -8.741   1.275  -3.957
  537    HB2  PHE  71           2HB      PHE  71  -6.320   1.019  -4.807
  538    HB3  PHE  71           1HB      PHE  71  -6.387   2.739  -5.160
  539    HD1  PHE  71           1HD      PHE  71  -7.170   4.238  -3.110
  540    HD2  PHE  71           2HD      PHE  71  -5.475   0.347  -2.793
  541    HE1  PHE  71           1HE      PHE  71  -6.489   4.724  -0.797
  542    HE2  PHE  71           2HE      PHE  71  -4.797   0.828  -0.479
  543    HZ   PHE  71           HZ       PHE  71  -5.304   3.019   0.519
  544    H    SER  72           H        SER  72  -8.425   3.451  -6.706
  545    HA   SER  72           HA       SER  72  -9.987   5.474  -5.298
  546    HB2  SER  72           2HB      SER  72  -8.312   7.217  -6.128
  547    HB3  SER  72           1HB      SER  72  -7.793   6.214  -4.776
  548    HG   SER  72           HG       SER  72  -6.915   4.832  -6.618
  549    H    ALA  73           H        ALA  73 -10.665   7.248  -6.777
  550    HA   ALA  73           HA       ALA  73 -11.654   6.014  -9.210
  551    HB1  ALA  73           1HB      ALA  73 -12.340   8.678  -7.975
  552    HB2  ALA  73           2HB      ALA  73 -13.199   7.164  -7.691
  553    HB3  ALA  73           3HB      ALA  73 -13.196   7.888  -9.299
  554    H    GLY  74           H        GLY  74  -9.066   7.975  -8.386
  555    HA2  GLY  74           2HA      GLY  74  -8.793   8.821 -11.197
  556    HA3  GLY  74           1HA      GLY  74  -8.492   9.964  -9.895
  557    H    ALA  75           H        ALA  75  -7.510   6.712 -10.954
  558    HA   ALA  75           HA       ALA  75  -4.810   7.343  -9.963
  559    HB1  ALA  75           1HB      ALA  75  -6.032   5.692  -8.570
  560    HB2  ALA  75           2HB      ALA  75  -4.531   5.083  -9.264
  561    HB3  ALA  75           3HB      ALA  75  -6.081   4.617  -9.969
  562    H    ARG  76           H        ARG  76  -3.107   5.959 -10.962
  563    HA   ARG  76           HA       ARG  76  -3.635   5.597 -13.818
  564    HB2  ARG  76           2HB      ARG  76  -0.976   6.245 -12.549
  565    HB3  ARG  76           1HB      ARG  76  -1.361   6.254 -14.262
  566    HG2  ARG  76           2HG      ARG  76  -2.368   8.167 -12.171
  567    HG3  ARG  76           1HG      ARG  76  -1.210   8.507 -13.458
  568    HD2  ARG  76           2HD      ARG  76  -4.096   7.728 -13.832
  569    HD3  ARG  76           1HD      ARG  76  -3.433   9.350 -13.993
  570    HE   ARG  76           HE       ARG  76  -2.083   7.520 -15.693
  571   HH11  ARG  76          1HH1      ARG  76  -5.094   9.282 -15.404
  572   HH12  ARG  76          2HH1      ARG  76  -5.343   9.381 -17.117
  573   HH21  ARG  76          1HH2      ARG  76  -2.406   7.649 -17.934
  574   HH22  ARG  76          2HH2      ARG  76  -3.819   8.441 -18.560
  575    H    ALA  77           H        ALA  77  -3.072   3.661 -14.734
  576    HA   ALA  77           HA       ALA  77  -2.562   1.459 -13.007
  577    HB1  ALA  77           1HB      ALA  77  -2.435   0.121 -15.070
  578    HB2  ALA  77           2HB      ALA  77  -2.482   1.611 -16.017
  579    HB3  ALA  77           3HB      ALA  77  -3.868   1.154 -15.026
  580    H    LEU  78           H        LEU  78  -0.698   0.915 -12.168
  581    HA   LEU  78           HA       LEU  78   1.784   2.004 -13.019
  582    HB2  LEU  78           2HB      LEU  78   1.295  -0.364 -11.205
  583    HB3  LEU  78           1HB      LEU  78   2.770   0.576 -11.322
  584    HG   LEU  78           HG       LEU  78   0.121   1.589 -10.286
  585   HD11  LEU  78          1HD1      LEU  78   1.196   0.031  -8.760
  586   HD12  LEU  78          2HD1      LEU  78   1.252   1.676  -8.125
  587   HD13  LEU  78          3HD1      LEU  78   2.692   0.960  -8.848
  588   HD21  LEU  78          3HD2      LEU  78   1.415   3.588  -9.626
  589   HD22  LEU  78          1HD2      LEU  78   1.315   3.381 -11.375
  590   HD23  LEU  78          2HD2      LEU  78   2.798   2.956 -10.519
  591    H    SER  79           H        SER  79   3.430   1.063 -14.210
  592    HA   SER  79           HA       SER  79   2.972  -1.605 -15.285
  593    HB2  SER  79           2HB      SER  79   3.380   0.816 -17.054
  594    HB3  SER  79           1HB      SER  79   3.236  -0.854 -17.600
  595    HG   SER  79           HG       SER  79   1.164  -0.135 -15.996
  596    H    ASP  80           H        ASP  80   4.820  -2.160 -16.844
  597    HA   ASP  80           HA       ASP  80   6.983  -2.773 -17.026
  598    HB2  ASP  80           2HB      ASP  80   7.009  -0.282 -17.726
  599    HB3  ASP  80           1HB      ASP  80   7.789  -0.008 -16.170
  600    H    ALA  81           H        ALA  81   9.127  -1.367 -15.385
  601    HA   ALA  81           HA       ALA  81   9.569  -3.454 -13.673
  602    HB1  ALA  81           1HB      ALA  81  11.271  -1.833 -14.385
  603    HB2  ALA  81           2HB      ALA  81  11.291  -2.106 -12.644
  604    HB3  ALA  81           3HB      ALA  81  10.567  -0.638 -13.297
  605    H    GLU  82           H        GLU  82   7.720  -0.536 -13.024
  606    HA   GLU  82           HA       GLU  82   7.749  -0.501 -10.244
  607    HB2  GLU  82           2HB      GLU  82   6.825   1.362 -11.346
  608    HB3  GLU  82           1HB      GLU  82   5.749   0.371 -12.317
  609    HG2  GLU  82           2HG      GLU  82   4.527   1.620 -10.646
  610    HG3  GLU  82           1HG      GLU  82   4.406  -0.114 -10.373
  611    H    THR  83           H        THR  83   5.454  -2.199 -12.407
  612    HA   THR  83           HA       THR  83   4.036  -3.298 -10.199
  613    HB   THR  83           HB       THR  83   4.012  -4.682 -12.843
  614    HG1  THR  83           1HG      THR  83   2.964  -2.091 -12.284
  615   HG21  THR  83          3HG2      THR  83   1.825  -3.872 -10.927
  616   HG22  THR  83          1HG2      THR  83   2.625  -5.447 -10.938
  617   HG23  THR  83          2HG2      THR  83   1.660  -4.935 -12.325
  618    H    LYS  84           H        LYS  84   6.913  -4.227 -11.930
  619    HA   LYS  84           HA       LYS  84   6.734  -7.009 -11.240
  620    HB2  LYS  84           2HB      LYS  84   9.256  -5.637 -12.117
  621    HB3  LYS  84           1HB      LYS  84   8.712  -7.279 -12.432
  622    HG2  LYS  84           2HG      LYS  84   6.964  -6.395 -13.909
  623    HG3  LYS  84           1HG      LYS  84   7.575  -4.766 -13.611
  624    HD2  LYS  84           2HD      LYS  84   8.419  -5.605 -15.728
  625    HD3  LYS  84           1HD      LYS  84   9.739  -5.417 -14.572
  626    HE2  LYS  84           2HE      LYS  84   9.741  -7.791 -14.131
  627    HE3  LYS  84           1HE      LYS  84   8.335  -8.017 -15.169
  628    HZ1  LYS  84           3HZ      LYS  84  10.972  -7.010 -16.092
  629    HZ2  LYS  84           1HZ      LYS  84   9.633  -7.359 -17.064
  630    HZ3  LYS  84           2HZ      LYS  84  10.442  -8.605 -16.257
  631    H    VAL  85           H        VAL  85   9.085  -4.467 -10.381
  632    HA   VAL  85           HA       VAL  85  10.309  -6.089  -8.387
  633    HB   VAL  85           HB       VAL  85  11.693  -4.471  -9.463
  634   HG11  VAL  85          1HG1      VAL  85   9.986  -2.882 -10.136
  635   HG12  VAL  85          2HG1      VAL  85  11.313  -2.059  -9.307
  636   HG13  VAL  85          3HG1      VAL  85   9.795  -2.358  -8.460
  637   HG21  VAL  85          3HG2      VAL  85  12.620  -3.211  -7.589
  638   HG22  VAL  85          1HG2      VAL  85  12.218  -4.859  -7.107
  639   HG23  VAL  85          2HG2      VAL  85  11.161  -3.522  -6.651
  640    H    PHE  86           H        PHE  86   7.847  -3.581  -8.328
  641    HA   PHE  86           HA       PHE  86   7.933  -3.459  -5.460
  642    HB2  PHE  86           2HB      PHE  86   6.493  -1.956  -7.593
  643    HB3  PHE  86           1HB      PHE  86   5.951  -1.841  -5.932
  644    HD1  PHE  86           1HD      PHE  86   7.722  -1.245  -4.165
  645    HD2  PHE  86           2HD      PHE  86   8.246  -0.624  -8.338
  646    HE1  PHE  86           1HE      PHE  86   9.495   0.395  -3.696
  647    HE2  PHE  86           2HE      PHE  86  10.019   1.016  -7.875
  648    HZ   PHE  86           HZ       PHE  86  10.646   1.527  -5.552
  649    H    LEU  87           H        LEU  87   6.100  -5.189  -7.860
  650    HA   LEU  87           HA       LEU  87   4.092  -6.224  -6.144
  651    HB2  LEU  87           2HB      LEU  87   4.358  -6.640  -8.625
  652    HB3  LEU  87           1HB      LEU  87   5.678  -7.719  -8.242
  653    HG   LEU  87           HG       LEU  87   3.973  -9.066  -6.901
  654   HD11  LEU  87          1HD1      LEU  87   2.234  -7.310  -6.836
  655   HD12  LEU  87          2HD1      LEU  87   1.652  -8.824  -7.528
  656   HD13  LEU  87          3HD1      LEU  87   2.051  -7.467  -8.585
  657   HD21  LEU  87          3HD2      LEU  87   3.696  -8.828  -9.891
  658   HD22  LEU  87          1HD2      LEU  87   3.229 -10.222  -8.917
  659   HD23  LEU  87          2HD2      LEU  87   4.928  -9.759  -9.039
  660    H    LYS  88           H        LYS  88   7.458  -7.041  -6.752
  661    HA   LYS  88           HA       LYS  88   7.534  -9.238  -4.934
  662    HB2  LYS  88           2HB      LYS  88   9.822  -7.731  -6.209
  663    HB3  LYS  88           1HB      LYS  88   9.922  -9.293  -5.399
  664    HG2  LYS  88           2HG      LYS  88   8.297  -8.751  -7.869
  665    HG3  LYS  88           1HG      LYS  88   9.901  -9.490  -7.844
  666    HD2  LYS  88           2HD      LYS  88   9.053 -11.302  -6.461
  667    HD3  LYS  88           1HD      LYS  88   7.453 -10.568  -6.455
  668    HE2  LYS  88           2HE      LYS  88   7.574 -12.393  -8.070
  669    HE3  LYS  88           1HE      LYS  88   7.287 -10.848  -8.866
  670    HZ1  LYS  88           3HZ      LYS  88   9.916 -12.214  -8.666
  671    HZ2  LYS  88           1HZ      LYS  88   9.615 -10.752  -9.462
  672    HZ3  LYS  88           2HZ      LYS  88   8.927 -12.184 -10.036
  673    H    ALA  89           H        ALA  89   7.859  -5.829  -4.572
  674    HA   ALA  89           HA       ALA  89   9.272  -5.598  -2.193
  675    HB1  ALA  89           1HB      ALA  89   7.888  -3.664  -1.672
  676    HB2  ALA  89           2HB      ALA  89   6.682  -4.178  -2.850
  677    HB3  ALA  89           3HB      ALA  89   8.284  -3.666  -3.392
  678    H    GLY  90           H        GLY  90   6.015  -6.708  -2.823
  679    HA2  GLY  90           2HA      GLY  90   5.653  -7.425  -0.005
  680    HA3  GLY  90           1HA      GLY  90   4.415  -7.479  -1.256
  681    H    ASP  91           H        ASP  91   5.266  -8.959  -3.193
  682    HA   ASP  91           HA       ASP  91   5.203 -11.607  -2.206
  683    HB2  ASP  91           2HB      ASP  91   4.353 -11.034  -4.420
  684    HB3  ASP  91           1HB      ASP  91   5.982 -10.614  -4.951
  685    H    SER  92           H        SER  92   6.889 -12.251  -0.949
  686    HA   SER  92           HA       SER  92   9.607 -11.672  -1.867
  687    HB2  SER  92           2HB      SER  92   8.626 -12.807   0.763
  688    HB3  SER  92           1HB      SER  92  10.290 -12.358   0.391
  689    HG   SER  92           HG       SER  92   8.028 -10.643   0.505
  690    H    ASP  93           H        ASP  93   7.303 -13.980  -2.176
  691    HA   ASP  93           HA       ASP  93   8.990 -16.322  -1.950
  692    HB2  ASP  93           2HB      ASP  93   6.382 -16.411  -3.398
  693    HB3  ASP  93           1HB      ASP  93   7.095 -17.591  -2.307
  694    H    GLY  94           H        GLY  94   8.026 -14.085  -4.394
  695    HA2  GLY  94           2HA      GLY  94   8.846 -13.827  -6.546
  696    HA3  GLY  94           1HA      GLY  94   9.772 -15.309  -6.340
  697    H    ASP  95           H        ASP  95   6.294 -14.678  -6.070
  698    HA   ASP  95           HA       ASP  95   5.867 -16.890  -7.970
  699    HB2  ASP  95           2HB      ASP  95   3.603 -17.094  -6.847
  700    HB3  ASP  95           1HB      ASP  95   4.991 -17.542  -5.864
  701    H    GLY  96           H        GLY  96   5.243 -13.552  -7.351
  702    HA2  GLY  96           2HA      GLY  96   4.633 -12.035  -9.056
  703    HA3  GLY  96           1HA      GLY  96   3.992 -13.377  -9.992
  704    H    LYS  97           H        LYS  97   3.182 -12.976  -6.652
  705    HA   LYS  97           HA       LYS  97   0.561 -11.779  -7.307
  706    HB2  LYS  97           2HB      LYS  97  -0.639 -13.501  -6.388
  707    HB3  LYS  97           1HB      LYS  97   0.750 -14.452  -6.894
  708    HG2  LYS  97           2HG      LYS  97   1.676 -13.888  -4.513
  709    HG3  LYS  97           1HG      LYS  97  -0.022 -13.531  -4.157
  710    HD2  LYS  97           2HD      LYS  97   0.959 -16.132  -5.316
  711    HD3  LYS  97           1HD      LYS  97   0.638 -15.856  -3.606
  712    HE2  LYS  97           2HE      LYS  97  -1.416 -15.512  -5.779
  713    HE3  LYS  97           1HE      LYS  97  -1.206 -16.996  -4.855
  714    HZ1  LYS  97           3HZ      LYS  97  -1.668 -15.735  -2.833
  715    HZ2  LYS  97           1HZ      LYS  97  -2.960 -15.660  -3.915
  716    HZ3  LYS  97           2HZ      LYS  97  -1.923 -14.340  -3.746
  717    H    ILE  98           H        ILE  98  -0.471 -10.935  -5.388
  718    HA   ILE  98           HA       ILE  98   1.543 -10.118  -3.428
  719    HB   ILE  98           HB       ILE  98  -0.937  -8.740  -4.387
  720   HG12  ILE  98          2HG1      ILE  98   1.150  -8.322  -5.589
  721   HG13  ILE  98          1HG1      ILE  98   0.614  -6.870  -4.753
  722   HG21  ILE  98          1HG2      ILE  98   0.627  -8.058  -1.908
  723   HG22  ILE  98          2HG2      ILE  98  -1.029  -8.663  -1.961
  724   HG23  ILE  98          3HG2      ILE  98  -0.651  -7.073  -2.620
  725   HD11  ILE  98          3HD1      ILE  98   2.818  -8.737  -3.924
  726   HD12  ILE  98          1HD1      ILE  98   2.217  -7.404  -2.937
  727   HD13  ILE  98          2HD1      ILE  98   2.969  -7.078  -4.495
  728    H    GLY  99           H        GLY  99   1.419 -11.822  -2.046
  729    HA2  GLY  99           2HA      GLY  99  -0.902 -12.680  -0.742
  730    HA3  GLY  99           1HA      GLY  99   0.711 -12.638  -0.021
  731    H    VAL 100           H        VAL 100  -2.071 -11.776   0.908
  732    HA   VAL 100           HA       VAL 100  -2.077  -8.952   0.980
  733    HB   VAL 100           HB       VAL 100  -3.461 -10.938   2.754
  734   HG11  VAL 100          1HG1      VAL 100  -4.056  -8.022   2.297
  735   HG12  VAL 100          2HG1      VAL 100  -3.394  -8.726   3.774
  736   HG13  VAL 100          3HG1      VAL 100  -5.030  -9.138   3.255
  737   HG21  VAL 100          3HG2      VAL 100  -4.352  -9.539   0.244
  738   HG22  VAL 100          1HG2      VAL 100  -5.339 -10.622   1.230
  739   HG23  VAL 100          2HG2      VAL 100  -3.918 -11.241   0.391
  740    H    ASP 101           H        ASP 101  -1.092 -11.402   3.309
  741    HA   ASP 101           HA       ASP 101  -0.027  -9.725   5.278
  742    HB2  ASP 101           2HB      ASP 101  -0.328 -12.134   5.595
  743    HB3  ASP 101           1HB      ASP 101   0.895 -12.462   4.376
  744    H    GLU 102           H        GLU 102   1.251 -10.824   2.209
  745    HA   GLU 102           HA       GLU 102   3.901  -9.853   2.518
  746    HB2  GLU 102           2HB      GLU 102   2.275 -10.384   0.013
  747    HB3  GLU 102           1HB      GLU 102   4.002 -10.047   0.034
  748    HG2  GLU 102           2HG      GLU 102   2.724 -12.392   1.424
  749    HG3  GLU 102           1HG      GLU 102   3.429 -12.452  -0.190
  750    H    PHE 103           H        PHE 103   0.931  -8.474   1.178
  751    HA   PHE 103           HA       PHE 103   2.088  -6.097   0.172
  752    HB2  PHE 103           2HB      PHE 103  -0.239  -7.078  -0.329
  753    HB3  PHE 103           1HB      PHE 103  -0.751  -6.308   1.167
  754    HD1  PHE 103           2HD      PHE 103   0.815  -5.600  -2.120
  755    HD2  PHE 103           1HD      PHE 103  -1.388  -4.063   1.176
  756    HE1  PHE 103           2HE      PHE 103   0.466  -3.498  -3.344
  757    HE2  PHE 103           1HE      PHE 103  -1.744  -1.956  -0.048
  758    HZ   PHE 103           HZ       PHE 103  -0.814  -1.672  -2.306
  759    H    GLY 104           H        GLY 104   0.445  -6.843   3.233
  760    HA2  GLY 104           2HA      GLY 104   0.679  -4.331   4.437
  761    HA3  GLY 104           1HA      GLY 104   0.629  -5.861   5.305
  762    H    ALA 105           H        ALA 105   2.999  -6.939   4.118
  763    HA   ALA 105           HA       ALA 105   4.959  -5.905   5.865
  764    HB1  ALA 105           1HB      ALA 105   5.314  -7.710   3.475
  765    HB2  ALA 105           2HB      ALA 105   4.937  -8.232   5.117
  766    HB3  ALA 105           3HB      ALA 105   6.483  -7.458   4.771
  767    H    MET 106           H        MET 106   4.353  -5.412   2.387
  768    HA   MET 106           HA       MET 106   6.756  -3.888   2.021
  769    HB2  MET 106           2HB      MET 106   6.172  -3.651  -0.197
  770    HB3  MET 106           1HB      MET 106   5.306  -5.123   0.209
  771    HG2  MET 106           2HG      MET 106   3.248  -3.999   0.323
  772    HG3  MET 106           1HG      MET 106   4.024  -2.423   0.346
  773    HE1  MET 106           3HE      MET 106   4.490  -5.602  -2.036
  774    HE2  MET 106           1HE      MET 106   3.437  -5.096  -3.356
  775    HE3  MET 106           2HE      MET 106   2.761  -5.396  -1.755
  776    H    ILE 107           H        ILE 107   3.597  -3.211   3.168
  777    HA   ILE 107           HA       ILE 107   3.682  -0.369   2.697
  778    HB   ILE 107           HB       ILE 107   1.884  -2.062   4.460
  779   HG12  ILE 107          2HG1      ILE 107   1.383  -0.721   1.794
  780   HG13  ILE 107          1HG1      ILE 107   1.623  -2.447   2.042
  781   HG21  ILE 107          1HG2      ILE 107   0.468  -0.117   4.695
  782   HG22  ILE 107          2HG2      ILE 107   1.592   0.846   3.736
  783   HG23  ILE 107          3HG2      ILE 107   2.086   0.227   5.312
  784   HD11  ILE 107          3HD1      ILE 107  -0.406  -2.543   3.381
  785   HD12  ILE 107          1HD1      ILE 107  -0.727  -1.900   1.771
  786   HD13  ILE 107          2HD1      ILE 107  -0.642  -0.809   3.153
  787    H    LYS 108           H        LYS 108   4.358  -2.613   5.249
  788    HA   LYS 108           HA       LYS 108   4.856  -0.568   7.219
  789    HB2  LYS 108           2HB      LYS 108   3.795  -2.430   8.086
  790    HB3  LYS 108           1HB      LYS 108   4.769  -3.553   7.160
  791    HG2  LYS 108           2HG      LYS 108   6.060  -1.939   9.310
  792    HG3  LYS 108           1HG      LYS 108   5.069  -3.333   9.742
  793    HD2  LYS 108           2HD      LYS 108   6.458  -4.680   8.125
  794    HD3  LYS 108           1HD      LYS 108   7.536  -3.289   8.009
  795    HE2  LYS 108           2HE      LYS 108   7.886  -3.397  10.446
  796    HE3  LYS 108           1HE      LYS 108   6.860  -4.830  10.507
  797    HZ1  LYS 108           3HZ      LYS 108   9.193  -5.427  10.473
  798    HZ2  LYS 108           1HZ      LYS 108   9.417  -4.600   9.015
  799    HZ3  LYS 108           2HZ      LYS 108   8.430  -5.972   9.068
  800    H    ALA 109           H        ALA 109   6.717  -2.404   4.939
  801    HA   ALA 109           HA       ALA 109   9.212  -1.697   6.298
  802    HB1  ALA 109           1HB      ALA 109  10.316  -3.102   4.642
  803    HB2  ALA 109           2HB      ALA 109   8.782  -3.340   3.807
  804    HB3  ALA 109           3HB      ALA 109   9.007  -3.978   5.434
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1 -21.286   7.887   1.477
    2    H2   MET   1           2HT      MET   1 -21.636   8.374  -0.103
    3    H3   MET   1           3HT      MET   1 -21.526   9.525   1.130
    4    HA   MET   1           HA       MET   1 -19.570   9.526  -0.286
    5    HB2  MET   1           2HB      MET   1 -17.886   9.334   1.517
    6    HB3  MET   1           1HB      MET   1 -19.306  10.237   2.018
    7    HG2  MET   1           2HG      MET   1 -20.141   8.277   3.202
    8    HG3  MET   1           1HG      MET   1 -18.725   7.363   2.692
    9    HE1  MET   1           2HE      MET   1 -20.059  10.351   4.844
   10    HE2  MET   1           3HE      MET   1 -18.851  11.152   3.840
   11    HE3  MET   1           1HE      MET   1 -18.578  10.972   5.572
   12    H    ALA   2           H        ALA   2 -18.123   8.428  -1.466
   13    HA   ALA   2           HA       ALA   2 -18.490   5.599  -1.753
   14    HB1  ALA   2           1HB      ALA   2 -18.089   7.060  -3.682
   15    HB2  ALA   2           2HB      ALA   2 -16.883   5.779  -3.571
   16    HB3  ALA   2           3HB      ALA   2 -16.476   7.420  -3.068
   17    H    PHE   3           H        PHE   3 -16.176   7.682  -0.213
   18    HA   PHE   3           HA       PHE   3 -14.685   5.300   0.662
   19    HB2  PHE   3           2HB      PHE   3 -13.665   8.144   0.469
   20    HB3  PHE   3           1HB      PHE   3 -12.731   6.735   0.962
   21    HD1  PHE   3           1HD      PHE   3 -12.611   4.799  -0.778
   22    HD2  PHE   3           2HD      PHE   3 -13.612   8.820  -1.729
   23    HE1  PHE   3           1HE      PHE   3 -11.985   4.395  -3.121
   24    HE2  PHE   3           2HE      PHE   3 -12.988   8.425  -4.072
   25    HZ   PHE   3           HZ       PHE   3 -12.173   6.210  -4.772
   26    H    ALA   4           H        ALA   4 -14.412   4.990   2.807
   27    HA   ALA   4           HA       ALA   4 -16.208   6.444   4.536
   28    HB1  ALA   4           1HB      ALA   4 -14.403   4.098   5.117
   29    HB2  ALA   4           2HB      ALA   4 -16.099   4.007   4.638
   30    HB3  ALA   4           3HB      ALA   4 -15.658   4.727   6.186
   31    H    GLY   5           H        GLY   5 -13.252   7.191   3.523
   32    HA2  GLY   5           2HA      GLY   5 -11.950   8.951   4.422
   33    HA3  GLY   5           1HA      GLY   5 -12.579   8.563   6.020
   34    H    ILE   6           H        ILE   6 -11.977   5.643   4.993
   35    HA   ILE   6           HA       ILE   6  -9.639   5.188   6.452
   36    HB   ILE   6           HB       ILE   6 -10.811   3.539   4.203
   37   HG12  ILE   6          2HG1      ILE   6 -11.150   3.287   7.199
   38   HG13  ILE   6          1HG1      ILE   6 -12.349   3.960   6.098
   39   HG21  ILE   6          1HG2      ILE   6  -8.818   2.767   6.332
   40   HG22  ILE   6          2HG2      ILE   6  -8.501   2.910   4.603
   41   HG23  ILE   6          3HG2      ILE   6  -9.584   1.653   5.199
   42   HD11  ILE   6          3HD1      ILE   6 -12.906   1.683   6.677
   43   HD12  ILE   6          1HD1      ILE   6 -11.332   1.128   6.109
   44   HD13  ILE   6          2HD1      ILE   6 -12.499   1.792   4.965
   45    H    LEU   7           H        LEU   7 -10.168   5.822   3.042
   46    HA   LEU   7           HA       LEU   7  -7.403   6.704   2.894
   47    HB2  LEU   7           2HB      LEU   7  -6.956   5.687   0.789
   48    HB3  LEU   7           1HB      LEU   7  -7.494   4.436   1.876
   49    HG   LEU   7           HG       LEU   7  -8.429   3.896  -0.188
   50   HD11  LEU   7          1HD1      LEU   7 -10.833   4.130   0.048
   51   HD12  LEU   7          2HD1      LEU   7 -10.593   5.345   1.300
   52   HD13  LEU   7          3HD1      LEU   7 -10.060   3.686   1.567
   53   HD21  LEU   7          3HD2      LEU   7  -9.306   6.756  -0.512
   54   HD22  LEU   7          1HD2      LEU   7  -9.666   5.436  -1.628
   55   HD23  LEU   7          2HD2      LEU   7  -7.997   5.950  -1.378
   56    H    ASN   8           H        ASN   8  -7.119   8.553   1.744
   57    HA   ASN   8           HA       ASN   8  -9.570   9.861   0.808
   58    HB2  ASN   8           2HB      ASN   8  -6.833  10.891   1.549
   59    HB3  ASN   8           1HB      ASN   8  -7.998  11.892   0.692
   60   HD21  ASN   8          1HD2      ASN   8  -8.828   9.532   3.156
   61   HD22  ASN   8          2HD2      ASN   8  -9.363  10.678   4.334
   62    H    ASP   9           H        ASP   9 -10.019   9.609  -1.243
   63    HA   ASP   9           HA       ASP   9  -8.456   8.571  -3.251
   64    HB2  ASP   9           2HB      ASP   9 -10.831   8.787  -3.548
   65    HB3  ASP   9           1HB      ASP   9 -10.747  10.538  -3.409
   66    H    ALA  10           H        ALA  10  -8.740  11.909  -2.207
   67    HA   ALA  10           HA       ALA  10  -7.253  13.060  -4.337
   68    HB1  ALA  10           1HB      ALA  10  -7.163  15.041  -2.872
   69    HB2  ALA  10           2HB      ALA  10  -7.823  14.072  -1.552
   70    HB3  ALA  10           3HB      ALA  10  -8.789  14.370  -2.998
   71    H    ASP  11           H        ASP  11  -6.361  11.652  -1.246
   72    HA   ASP  11           HA       ASP  11  -3.666  12.700  -1.332
   73    HB2  ASP  11           2HB      ASP  11  -5.262  11.866   0.728
   74    HB3  ASP  11           1HB      ASP  11  -4.210  10.474   0.509
   75    H    ILE  12           H        ILE  12  -5.292   9.637  -1.734
   76    HA   ILE  12           HA       ILE  12  -3.046   8.066  -2.354
   77    HB   ILE  12           HB       ILE  12  -5.971   7.863  -2.911
   78   HG12  ILE  12          2HG1      ILE  12  -5.698   5.730  -1.651
   79   HG13  ILE  12          1HG1      ILE  12  -3.985   6.079  -1.484
   80   HG21  ILE  12          1HG2      ILE  12  -4.966   7.057  -4.975
   81   HG22  ILE  12          2HG2      ILE  12  -5.656   5.716  -4.062
   82   HG23  ILE  12          3HG2      ILE  12  -3.912   5.980  -4.060
   83   HD11  ILE  12          3HD1      ILE  12  -5.133   6.626   0.547
   84   HD12  ILE  12          1HD1      ILE  12  -6.263   7.662  -0.327
   85   HD13  ILE  12          2HD1      ILE  12  -4.561   8.109  -0.215
   86    H    THR  13           H        THR  13  -5.287   9.876  -4.454
   87    HA   THR  13           HA       THR  13  -3.983   9.419  -6.885
   88    HB   THR  13           HB       THR  13  -5.555  11.848  -5.993
   89    HG1  THR  13           1HG      THR  13  -6.872  10.060  -6.001
   90   HG21  THR  13          3HG2      THR  13  -4.790  10.989  -8.788
   91   HG22  THR  13          1HG2      THR  13  -4.164  12.399  -7.928
   92   HG23  THR  13          2HG2      THR  13  -5.868  12.322  -8.375
   93    H    ALA  14           H        ALA  14  -3.286  11.648  -4.267
   94    HA   ALA  14           HA       ALA  14  -1.386  13.234  -5.629
   95    HB1  ALA  14           1HB      ALA  14  -2.407  13.919  -3.518
   96    HB2  ALA  14           2HB      ALA  14  -0.648  13.935  -3.418
   97    HB3  ALA  14           3HB      ALA  14  -1.561  12.618  -2.684
   98    H    ALA  15           H        ALA  15  -0.926  10.464  -3.398
   99    HA   ALA  15           HA       ALA  15   1.803  10.108  -3.739
  100    HB1  ALA  15           1HB      ALA  15   0.406   8.891  -2.104
  101    HB2  ALA  15           2HB      ALA  15   1.472   7.827  -3.020
  102    HB3  ALA  15           3HB      ALA  15  -0.243   7.916  -3.421
  103    H    LEU  16           H        LEU  16  -0.857   8.915  -5.742
  104    HA   LEU  16           HA       LEU  16   0.784   7.363  -7.472
  105    HB2  LEU  16           2HB      LEU  16  -2.014   8.443  -7.818
  106    HB3  LEU  16           1HB      LEU  16  -1.249   7.314  -8.919
  107    HG   LEU  16           HG       LEU  16  -1.601   6.682  -5.997
  108   HD11  LEU  16          1HD1      LEU  16  -3.473   5.957  -8.237
  109   HD12  LEU  16          2HD1      LEU  16  -3.798   7.183  -7.013
  110   HD13  LEU  16          3HD1      LEU  16  -3.618   5.491  -6.543
  111   HD21  LEU  16          3HD2      LEU  16   0.018   5.352  -7.279
  112   HD22  LEU  16          1HD2      LEU  16  -1.252   4.940  -8.432
  113   HD23  LEU  16          2HD2      LEU  16  -1.367   4.393  -6.759
  114    H    ALA  17           H        ALA  17  -0.426  10.677  -7.586
  115    HA   ALA  17           HA       ALA  17   0.522  11.201 -10.233
  116    HB1  ALA  17           1HB      ALA  17  -0.191  13.132  -8.030
  117    HB2  ALA  17           2HB      ALA  17  -1.299  12.497  -9.246
  118    HB3  ALA  17           3HB      ALA  17   0.039  13.539  -9.730
  119    H    ALA  18           H        ALA  18   1.914  11.251  -7.067
  120    HA   ALA  18           HA       ALA  18   4.258  12.729  -7.735
  121    HB1  ALA  18           1HB      ALA  18   5.194  11.778  -5.679
  122    HB2  ALA  18           2HB      ALA  18   3.828  10.667  -5.569
  123    HB3  ALA  18           3HB      ALA  18   3.568  12.404  -5.410
  124    H    CYS  19           H        CYS  19   3.123   9.564  -8.315
  125    HA   CYS  19           HA       CYS  19   5.779   8.630  -9.147
  126    HB2  CYS  19           2HB      CYS  19   3.211   7.061  -8.825
  127    HB3  CYS  19           1HB      CYS  19   4.814   6.398  -9.127
  128    HG   CYS  19           HG       CYS  19   3.656   7.844  -6.259
  129    H    LYS  20           H        LYS  20   4.242  10.588 -10.640
  130    HA   LYS  20           HA       LYS  20   2.962   9.412 -12.858
  131    HB2  LYS  20           2HB      LYS  20   3.120  11.641 -13.829
  132    HB3  LYS  20           1HB      LYS  20   2.577  11.726 -12.168
  133    HG2  LYS  20           2HG      LYS  20   4.904  12.287 -11.506
  134    HG3  LYS  20           1HG      LYS  20   5.331  12.347 -13.215
  135    HD2  LYS  20           2HD      LYS  20   3.087  14.005 -12.109
  136    HD3  LYS  20           1HD      LYS  20   4.756  14.550 -12.007
  137    HE2  LYS  20           2HE      LYS  20   3.774  15.534 -13.948
  138    HE3  LYS  20           1HE      LYS  20   4.921  14.310 -14.479
  139    HZ1  LYS  20           3HZ      LYS  20   3.157  12.837 -14.998
  140    HZ2  LYS  20           1HZ      LYS  20   2.770  14.327 -15.687
  141    HZ3  LYS  20           2HZ      LYS  20   2.002  13.830 -14.266
  142    H    ALA  21           H        ALA  21   6.195   9.594 -11.967
  143    HA   ALA  21           HA       ALA  21   7.427   9.737 -14.517
  144    HB1  ALA  21           1HB      ALA  21   9.418   8.877 -13.340
  145    HB2  ALA  21           2HB      ALA  21   8.426   8.606 -11.907
  146    HB3  ALA  21           3HB      ALA  21   8.675  10.243 -12.510
  147    H    GLU  22           H        GLU  22   7.211   8.288 -16.061
  148    HA   GLU  22           HA       GLU  22   6.006   5.800 -15.845
  149    HB2  GLU  22           2HB      GLU  22   7.974   6.795 -17.909
  150    HB3  GLU  22           1HB      GLU  22   7.007   5.338 -18.079
  151    HG2  GLU  22           2HG      GLU  22   5.871   8.090 -17.715
  152    HG3  GLU  22           1HG      GLU  22   6.105   7.311 -19.279
  153    H    GLY  23           H        GLY  23   6.670   4.150 -14.676
  154    HA2  GLY  23           2HA      GLY  23   7.993   2.214 -14.452
  155    HA3  GLY  23           1HA      GLY  23   9.311   3.053 -15.248
  156    H    SER  24           H        SER  24   8.144   5.127 -12.968
  157    HA   SER  24           HA       SER  24  10.058   4.130 -10.960
  158    HB2  SER  24           2HB      SER  24   9.615   7.032 -11.690
  159    HB3  SER  24           1HB      SER  24  10.825   6.391 -10.580
  160    HG   SER  24           HG       SER  24  11.106   5.139 -12.905
  161    H    PHE  25           H        PHE  25   8.205   3.207  -9.897
  162    HA   PHE  25           HA       PHE  25   6.261   5.081  -8.792
  163    HB2  PHE  25           2HB      PHE  25   5.631   2.793  -9.787
  164    HB3  PHE  25           1HB      PHE  25   6.336   2.104  -8.325
  165    HD1  PHE  25           1HD      PHE  25   3.631   4.223  -9.634
  166    HD2  PHE  25           2HD      PHE  25   5.194   2.185  -6.242
  167    HE1  PHE  25           1HE      PHE  25   1.506   4.571  -8.449
  168    HE2  PHE  25           2HE      PHE  25   3.069   2.529  -5.052
  169    HZ   PHE  25           HZ       PHE  25   1.220   3.723  -6.156
  170    H    ASP  26           H        ASP  26   6.211   5.670  -6.681
  171    HA   ASP  26           HA       ASP  26   8.330   4.585  -4.967
  172    HB2  ASP  26           2HB      ASP  26   8.129   7.098  -5.366
  173    HB3  ASP  26           1HB      ASP  26   6.661   7.034  -4.396
  174    H    HIS  27           H        HIS  27   7.363   2.700  -4.334
  175    HA   HIS  27           HA       HIS  27   4.739   2.345  -3.465
  176    HB2  HIS  27           2HB      HIS  27   5.380   0.188  -3.079
  177    HB3  HIS  27           1HB      HIS  27   6.860   0.703  -3.868
  178    HD1  HIS  27           1HD      HIS  27   5.487  -0.114  -0.462
  179    HD2  HIS  27           2HD      HIS  27   9.124   0.767  -2.265
  180    HE1  HIS  27           1HE      HIS  27   7.239  -0.633   1.262
  181    HE2  HIS  27           2HE      HIS  27   9.405   0.105   0.216
  182    H    LYS  28           H        LYS  28   7.392   3.794  -1.918
  183    HA   LYS  28           HA       LYS  28   6.613   3.325   0.779
  184    HB2  LYS  28           2HB      LYS  28   8.927   3.736   0.067
  185    HB3  LYS  28           1HB      LYS  28   8.479   5.356  -0.451
  186    HG2  LYS  28           2HG      LYS  28   8.055   6.040   1.805
  187    HG3  LYS  28           1HG      LYS  28   8.274   4.391   2.394
  188    HD2  LYS  28           2HD      LYS  28  10.610   4.437   1.729
  189    HD3  LYS  28           1HD      LYS  28  10.405   6.050   1.052
  190    HE2  LYS  28           2HE      LYS  28   9.957   5.363   3.950
  191    HE3  LYS  28           1HE      LYS  28  11.468   6.004   3.310
  192    HZ1  LYS  28           3HZ      LYS  28  10.367   8.003   2.666
  193    HZ2  LYS  28           1HZ      LYS  28   9.996   7.706   4.288
  194    HZ3  LYS  28           2HZ      LYS  28   8.851   7.385   3.086
  195    H    ALA  29           H        ALA  29   6.530   6.223  -1.314
  196    HA   ALA  29           HA       ALA  29   5.076   7.884   0.375
  197    HB1  ALA  29           1HB      ALA  29   4.404   9.100  -1.625
  198    HB2  ALA  29           2HB      ALA  29   4.873   7.731  -2.633
  199    HB3  ALA  29           3HB      ALA  29   6.099   8.625  -1.737
  200    H    PHE  30           H        PHE  30   4.019   5.321  -1.759
  201    HA   PHE  30           HA       PHE  30   1.269   5.931  -1.653
  202    HB2  PHE  30           2HB      PHE  30   2.347   4.514  -3.400
  203    HB3  PHE  30           1HB      PHE  30   2.567   3.247  -2.201
  204    HD1  PHE  30           1HD      PHE  30  -0.068   5.312  -3.818
  205    HD2  PHE  30           2HD      PHE  30   0.923   1.638  -1.909
  206    HE1  PHE  30           1HE      PHE  30  -2.299   4.428  -4.364
  207    HE2  PHE  30           2HE      PHE  30  -1.305   0.750  -2.453
  208    HZ   PHE  30           HZ       PHE  30  -2.920   2.145  -3.682
  209    H    PHE  31           H        PHE  31   3.361   4.046   0.512
  210    HA   PHE  31           HA       PHE  31   1.003   3.227   2.009
  211    HB2  PHE  31           2HB      PHE  31   2.338   1.828   3.323
  212    HB3  PHE  31           1HB      PHE  31   3.035   1.730   1.732
  213    HD1  PHE  31           2HD      PHE  31   3.566   3.468   4.970
  214    HD2  PHE  31           1HD      PHE  31   5.272   1.855   1.433
  215    HE1  PHE  31           2HE      PHE  31   5.813   3.806   5.912
  216    HE2  PHE  31           1HE      PHE  31   7.521   2.177   2.369
  217    HZ   PHE  31           HZ       PHE  31   7.796   3.156   4.608
  218    H    THR  32           H        THR  32   3.738   5.395   2.473
  219    HA   THR  32           HA       THR  32   2.902   5.921   5.190
  220    HB   THR  32           HB       THR  32   5.262   5.523   4.396
  221    HG1  THR  32           1HG      THR  32   4.569   6.575   6.459
  222   HG21  THR  32          3HG2      THR  32   6.478   7.520   3.588
  223   HG22  THR  32          1HG2      THR  32   4.945   8.394   3.483
  224   HG23  THR  32          2HG2      THR  32   5.229   6.989   2.457
  225    H    LYS  33           H        LYS  33   3.088   7.642   2.156
  226    HA   LYS  33           HA       LYS  33   2.396  10.181   3.315
  227    HB2  LYS  33           2HB      LYS  33   3.938  10.143   1.508
  228    HB3  LYS  33           1HB      LYS  33   2.867   9.167   0.524
  229    HG2  LYS  33           2HG      LYS  33   1.970  11.863   1.380
  230    HG3  LYS  33           1HG      LYS  33   3.150  11.714   0.076
  231    HD2  LYS  33           2HD      LYS  33   1.569  10.104  -1.038
  232    HD3  LYS  33           1HD      LYS  33   0.378  10.545   0.197
  233    HE2  LYS  33           2HE      LYS  33   1.768  12.527  -1.568
  234    HE3  LYS  33           1HE      LYS  33   0.187  11.835  -1.939
  235    HZ1  LYS  33           3HZ      LYS  33  -0.674  12.773   0.114
  236    HZ2  LYS  33           1HZ      LYS  33   0.004  13.996  -0.845
  237    HZ3  LYS  33           2HZ      LYS  33   0.851  13.410   0.493
  238    H    VAL  34           H        VAL  34   0.898   7.556   1.669
  239    HA   VAL  34           HA       VAL  34  -1.695   8.663   1.421
  240    HB   VAL  34           HB       VAL  34  -0.420   6.008   1.248
  241   HG11  VAL  34          1HG1      VAL  34  -3.361   6.231   1.824
  242   HG12  VAL  34          2HG1      VAL  34  -2.137   5.474   2.846
  243   HG13  VAL  34          3HG1      VAL  34  -2.523   4.780   1.270
  244   HG21  VAL  34          3HG2      VAL  34  -2.541   7.418  -0.346
  245   HG22  VAL  34          1HG2      VAL  34  -1.808   5.872  -0.769
  246   HG23  VAL  34          2HG2      VAL  34  -0.820   7.332  -0.718
  247    H    GLY  35           H        GLY  35   0.087   7.084   3.984
  248    HA2  GLY  35           2HA      GLY  35  -0.310   7.368   6.278
  249    HA3  GLY  35           1HA      GLY  35  -1.940   7.910   5.908
  250    H    LEU  36           H        LEU  36  -0.722   5.023   4.415
  251    HA   LEU  36           HA       LEU  36  -2.876   3.549   5.664
  252    HB2  LEU  36           2HB      LEU  36  -2.290   3.409   3.223
  253    HB3  LEU  36           1HB      LEU  36  -0.832   2.553   3.689
  254    HG   LEU  36           HG       LEU  36  -2.322   0.844   4.799
  255   HD11  LEU  36          1HD1      LEU  36  -4.476   2.116   3.128
  256   HD12  LEU  36          2HD1      LEU  36  -4.310   2.367   4.862
  257   HD13  LEU  36          3HD1      LEU  36  -4.629   0.751   4.236
  258   HD21  LEU  36          3HD2      LEU  36  -2.828  -0.295   2.717
  259   HD22  LEU  36          1HD2      LEU  36  -1.239   0.462   2.647
  260   HD23  LEU  36          2HD2      LEU  36  -2.607   1.210   1.822
  261    H    ALA  37           H        ALA  37   0.504   3.947   6.136
  262    HA   ALA  37           HA       ALA  37   1.165   1.402   7.166
  263    HB1  ALA  37           1HB      ALA  37   2.927   2.856   6.512
  264    HB2  ALA  37           2HB      ALA  37   3.080   2.600   8.248
  265    HB3  ALA  37           3HB      ALA  37   2.401   4.106   7.633
  266    H    ALA  38           H        ALA  38  -0.282   4.235   8.638
  267    HA   ALA  38           HA       ALA  38  -0.139   2.993  11.282
  268    HB1  ALA  38           1HB      ALA  38  -1.114   5.730  10.480
  269    HB2  ALA  38           2HB      ALA  38   0.489   5.343  11.105
  270    HB3  ALA  38           3HB      ALA  38  -0.931   5.138  12.130
  271    H    LYS  39           H        LYS  39  -1.867   1.983   9.116
  272    HA   LYS  39           HA       LYS  39  -4.533   2.500  10.195
  273    HB2  LYS  39           2HB      LYS  39  -3.536   1.141   7.706
  274    HB3  LYS  39           1HB      LYS  39  -5.202   0.959   8.235
  275    HG2  LYS  39           2HG      LYS  39  -3.814   3.549   7.547
  276    HG3  LYS  39           1HG      LYS  39  -5.001   2.701   6.557
  277    HD2  LYS  39           2HD      LYS  39  -6.667   2.996   8.358
  278    HD3  LYS  39           1HD      LYS  39  -5.475   3.921   9.273
  279    HE2  LYS  39           2HE      LYS  39  -6.462   4.648   6.523
  280    HE3  LYS  39           1HE      LYS  39  -7.096   5.326   8.021
  281    HZ1  LYS  39           3HZ      LYS  39  -4.905   6.223   8.499
  282    HZ2  LYS  39           1HZ      LYS  39  -5.460   6.782   7.002
  283    HZ3  LYS  39           2HZ      LYS  39  -4.289   5.562   7.070
  284    H    SER  40           H        SER  40  -5.892   0.838  10.872
  285    HA   SER  40           HA       SER  40  -4.588  -1.192  12.397
  286    HB2  SER  40           2HB      SER  40  -7.549  -0.858  11.858
  287    HB3  SER  40           1HB      SER  40  -6.806  -1.727  13.200
  288    HG   SER  40           HG       SER  40  -5.794   0.652  13.341
  289    HA   PRO  41           HA       PRO  41  -4.417  -4.764   9.815
  290    HB2  PRO  41           2HB      PRO  41  -6.342  -5.963  11.773
  291    HB3  PRO  41           1HB      PRO  41  -4.876  -6.661  11.070
  292    HG2  PRO  41           2HG      PRO  41  -4.835  -5.672  13.532
  293    HG3  PRO  41           1HG      PRO  41  -3.470  -5.409  12.432
  294    HD2  PRO  41           2HD      PRO  41  -5.561  -3.504  13.340
  295    HD3  PRO  41           1HD      PRO  41  -3.881  -3.196  12.861
  296    H    ALA  42           H        ALA  42  -7.703  -4.155  11.072
  297    HA   ALA  42           HA       ALA  42  -9.124  -5.503   9.086
  298    HB1  ALA  42           1HB      ALA  42 -11.059  -4.239   9.824
  299    HB2  ALA  42           2HB      ALA  42 -10.013  -3.088  10.655
  300    HB3  ALA  42           3HB      ALA  42 -10.097  -4.760  11.208
  301    H    ASP  43           H        ASP  43  -8.030  -2.137   9.181
  302    HA   ASP  43           HA       ASP  43  -9.430  -1.394   6.798
  303    HB2  ASP  43           2HB      ASP  43  -7.179  -0.013   8.275
  304    HB3  ASP  43           1HB      ASP  43  -8.078   0.692   6.934
  305    H    ILE  44           H        ILE  44  -6.133  -2.336   7.582
  306    HA   ILE  44           HA       ILE  44  -5.199  -2.022   4.909
  307    HB   ILE  44           HB       ILE  44  -4.104  -3.197   7.417
  308   HG12  ILE  44          2HG1      ILE  44  -3.178  -1.131   5.422
  309   HG13  ILE  44          1HG1      ILE  44  -3.845  -0.837   7.023
  310   HG21  ILE  44          1HG2      ILE  44  -2.856  -3.638   4.709
  311   HG22  ILE  44          2HG2      ILE  44  -3.496  -4.885   5.779
  312   HG23  ILE  44          3HG2      ILE  44  -2.076  -3.954   6.260
  313   HD11  ILE  44          3HD1      ILE  44  -1.223  -2.177   6.416
  314   HD12  ILE  44          1HD1      ILE  44  -1.881  -1.879   8.026
  315   HD13  ILE  44          2HD1      ILE  44  -1.444  -0.523   6.985
  316    H    LYS  45           H        LYS  45  -6.865  -4.511   6.641
  317    HA   LYS  45           HA       LYS  45  -6.378  -6.707   4.941
  318    HB2  LYS  45           2HB      LYS  45  -7.422  -6.870   7.188
  319    HB3  LYS  45           1HB      LYS  45  -8.868  -6.103   6.547
  320    HG2  LYS  45           2HG      LYS  45  -9.276  -8.434   6.629
  321    HG3  LYS  45           1HG      LYS  45  -9.059  -8.001   4.933
  322    HD2  LYS  45           2HD      LYS  45  -6.660  -8.715   5.170
  323    HD3  LYS  45           1HD      LYS  45  -7.082  -9.352   6.760
  324    HE2  LYS  45           2HE      LYS  45  -8.814 -10.756   5.672
  325    HE3  LYS  45           1HE      LYS  45  -8.237 -10.183   4.109
  326    HZ1  LYS  45           3HZ      LYS  45  -6.638 -11.703   6.095
  327    HZ2  LYS  45           1HZ      LYS  45  -6.074 -11.149   4.601
  328    HZ3  LYS  45           2HZ      LYS  45  -7.287 -12.323   4.666
  329    H    LYS  46           H        LYS  46  -8.912  -4.192   4.873
  330    HA   LYS  46           HA       LYS  46 -10.209  -5.301   2.608
  331    HB2  LYS  46           2HB      LYS  46 -11.363  -3.133   2.397
  332    HB3  LYS  46           1HB      LYS  46 -11.428  -3.764   4.031
  333    HG2  LYS  46           2HG      LYS  46 -10.958  -1.600   4.491
  334    HG3  LYS  46           1HG      LYS  46  -9.314  -2.210   4.331
  335    HD2  LYS  46           2HD      LYS  46  -9.001  -0.566   2.852
  336    HD3  LYS  46           1HD      LYS  46  -9.989  -1.517   1.745
  337    HE2  LYS  46           2HE      LYS  46 -10.978   0.626   3.627
  338    HE3  LYS  46           1HE      LYS  46 -10.780   0.790   1.884
  339    HZ1  LYS  46           3HZ      LYS  46 -13.083   0.366   2.526
  340    HZ2  LYS  46           1HZ      LYS  46 -12.634  -1.108   3.216
  341    HZ3  LYS  46           2HZ      LYS  46 -12.477  -0.869   1.553
  342    H    VAL  47           H        VAL  47  -7.529  -3.086   3.042
  343    HA   VAL  47           HA       VAL  47  -7.211  -2.387   0.329
  344    HB   VAL  47           HB       VAL  47  -5.103  -2.626   2.477
  345   HG11  VAL  47          1HG1      VAL  47  -4.138  -2.677   0.224
  346   HG12  VAL  47          2HG1      VAL  47  -3.752  -1.171   1.061
  347   HG13  VAL  47          3HG1      VAL  47  -5.006  -1.193  -0.176
  348   HG21  VAL  47          3HG2      VAL  47  -6.727  -0.281   1.495
  349   HG22  VAL  47          1HG2      VAL  47  -5.371  -0.171   2.616
  350   HG23  VAL  47          2HG2      VAL  47  -6.828  -1.047   3.081
  351    H    PHE  48           H        PHE  48  -6.190  -5.204   2.174
  352    HA   PHE  48           HA       PHE  48  -4.568  -6.441   0.258
  353    HB2  PHE  48           2HB      PHE  48  -6.412  -7.640   2.328
  354    HB3  PHE  48           1HB      PHE  48  -5.331  -8.601   1.331
  355    HD1  PHE  48           2HD      PHE  48  -3.447  -5.824   1.737
  356    HD2  PHE  48           1HD      PHE  48  -5.058  -8.995   4.070
  357    HE1  PHE  48           2HE      PHE  48  -1.652  -5.519   3.387
  358    HE2  PHE  48           1HE      PHE  48  -3.268  -8.693   5.726
  359    HZ   PHE  48           HZ       PHE  48  -1.559  -6.954   5.385
  360    H    GLU  49           H        GLU  49  -8.028  -6.176   0.553
  361    HA   GLU  49           HA       GLU  49  -8.567  -7.923  -1.674
  362    HB2  GLU  49           2HB      GLU  49 -10.357  -5.876  -0.366
  363    HB3  GLU  49           1HB      GLU  49 -10.868  -7.179  -1.429
  364    HG2  GLU  49           2HG      GLU  49 -10.128  -8.820   0.211
  365    HG3  GLU  49           1HG      GLU  49  -9.588  -7.521   1.273
  366    H    ILE  50           H        ILE  50  -7.698  -4.615  -1.283
  367    HA   ILE  50           HA       ILE  50  -8.755  -3.555  -3.653
  368    HB   ILE  50           HB       ILE  50  -6.512  -2.773  -1.844
  369   HG12  ILE  50          2HG1      ILE  50  -7.948  -1.272  -1.012
  370   HG13  ILE  50          1HG1      ILE  50  -8.571  -0.820  -2.592
  371   HG21  ILE  50          1HG2      ILE  50  -7.076  -1.561  -4.526
  372   HG22  ILE  50          2HG2      ILE  50  -5.538  -2.113  -3.857
  373   HG23  ILE  50          3HG2      ILE  50  -6.304  -0.661  -3.222
  374   HD11  ILE  50          3HD1      ILE  50 -10.214  -1.806  -0.983
  375   HD12  ILE  50          1HD1      ILE  50  -9.342  -3.331  -1.153
  376   HD13  ILE  50          2HD1      ILE  50 -10.128  -2.598  -2.557
  377    H    ILE  51           H        ILE  51  -5.541  -5.032  -3.054
  378    HA   ILE  51           HA       ILE  51  -4.690  -4.728  -5.751
  379    HB   ILE  51           HB       ILE  51  -3.102  -6.775  -5.235
  380   HG12  ILE  51          2HG1      ILE  51  -4.546  -7.281  -3.088
  381   HG13  ILE  51          1HG1      ILE  51  -2.796  -7.405  -2.992
  382   HG21  ILE  51          1HG2      ILE  51  -2.872  -4.116  -3.825
  383   HG22  ILE  51          2HG2      ILE  51  -2.341  -4.521  -5.459
  384   HG23  ILE  51          3HG2      ILE  51  -1.557  -5.269  -4.066
  385   HD11  ILE  51          3HD1      ILE  51  -3.152  -6.228  -1.104
  386   HD12  ILE  51          1HD1      ILE  51  -4.641  -5.485  -1.698
  387   HD13  ILE  51          2HD1      ILE  51  -3.073  -4.868  -2.219
  388    H    ASP  52           H        ASP  52  -6.627  -7.079  -4.074
  389    HA   ASP  52           HA       ASP  52  -6.719  -8.840  -6.363
  390    HB2  ASP  52           2HB      ASP  52  -6.957  -9.563  -3.875
  391    HB3  ASP  52           1HB      ASP  52  -8.618  -8.990  -4.031
  392    H    GLN  53           H        GLN  53  -7.469  -6.829  -7.645
  393    HA   GLN  53           HA       GLN  53  -9.883  -5.543  -7.397
  394    HB2  GLN  53           2HB      GLN  53  -8.244  -4.999  -9.147
  395    HB3  GLN  53           1HB      GLN  53  -8.604  -6.517  -9.960
  396    HG2  GLN  53           2HG      GLN  53 -11.002  -5.665 -10.119
  397    HG3  GLN  53           1HG      GLN  53 -10.340  -4.092  -9.678
  398   HE21  GLN  53          1HE2      GLN  53 -11.638  -4.927 -12.139
  399   HE22  GLN  53          2HE2      GLN  53 -10.499  -4.632 -13.409
  400    H    ASP  54           H        ASP  54  -9.259  -8.642  -8.945
  401    HA   ASP  54           HA       ASP  54 -11.946  -9.078  -9.807
  402    HB2  ASP  54           2HB      ASP  54  -9.650 -11.015  -9.478
  403    HB3  ASP  54           1HB      ASP  54 -11.177 -11.402 -10.259
  404    H    LYS  55           H        LYS  55 -10.389  -9.507  -6.780
  405    HA   LYS  55           HA       LYS  55 -10.976 -10.494  -4.823
  406    HB2  LYS  55           2HB      LYS  55 -13.553  -9.720  -6.059
  407    HB3  LYS  55           1HB      LYS  55 -13.629 -10.759  -4.648
  408    HG2  LYS  55           2HG      LYS  55 -12.238  -8.091  -4.781
  409    HG3  LYS  55           1HG      LYS  55 -13.843  -8.369  -4.107
  410    HD2  LYS  55           2HD      LYS  55 -11.256  -9.561  -3.100
  411    HD3  LYS  55           1HD      LYS  55 -12.167  -8.257  -2.343
  412    HE2  LYS  55           2HE      LYS  55 -14.047  -9.760  -1.974
  413    HE3  LYS  55           1HE      LYS  55 -13.176 -11.066  -2.772
  414    HZ1  LYS  55           3HZ      LYS  55 -11.478 -10.913  -1.032
  415    HZ2  LYS  55           1HZ      LYS  55 -13.001 -11.288  -0.401
  416    HZ3  LYS  55           2HZ      LYS  55 -12.389  -9.719  -0.241
  417    H    SER  56           H        SER  56  -9.904 -12.396  -5.965
  418    HA   SER  56           HA       SER  56 -11.741 -14.688  -5.831
  419    HB2  SER  56           2HB      SER  56 -10.317 -15.748  -7.640
  420    HB3  SER  56           1HB      SER  56 -11.317 -14.394  -8.166
  421    HG   SER  56           HG       SER  56  -9.344 -13.973  -8.992
  422    H    ASP  57           H        ASP  57  -9.461 -13.214  -4.254
  423    HA   ASP  57           HA       ASP  57  -8.071 -13.786  -2.568
  424    HB2  ASP  57           2HB      ASP  57  -8.902 -16.607  -3.238
  425    HB3  ASP  57           1HB      ASP  57  -7.760 -16.225  -1.955
  426    H    PHE  58           H        PHE  58  -7.573 -14.409  -5.731
  427    HA   PHE  58           HA       PHE  58  -4.698 -14.856  -5.269
  428    HB2  PHE  58           2HB      PHE  58  -6.360 -15.556  -7.702
  429    HB3  PHE  58           1HB      PHE  58  -4.607 -15.682  -7.627
  430    HD1  PHE  58           2HD      PHE  58  -3.582 -17.289  -5.978
  431    HD2  PHE  58           1HD      PHE  58  -7.736 -17.273  -6.900
  432    HE1  PHE  58           2HE      PHE  58  -3.784 -19.569  -5.084
  433    HE2  PHE  58           1HE      PHE  58  -7.946 -19.554  -6.000
  434    HZ   PHE  58           HZ       PHE  58  -5.969 -20.705  -5.093
  435    H    VAL  59           H        VAL  59  -3.438 -13.143  -5.738
  436    HA   VAL  59           HA       VAL  59  -4.718 -10.936  -7.212
  437    HB   VAL  59           HB       VAL  59  -2.615 -10.674  -5.092
  438   HG11  VAL  59          1HG1      VAL  59  -3.575  -8.397  -4.957
  439   HG12  VAL  59          2HG1      VAL  59  -4.398  -8.748  -6.477
  440   HG13  VAL  59          3HG1      VAL  59  -2.634  -8.768  -6.400
  441   HG21  VAL  59          3HG2      VAL  59  -4.447  -9.991  -3.579
  442   HG22  VAL  59          1HG2      VAL  59  -4.504 -11.696  -4.031
  443   HG23  VAL  59          2HG2      VAL  59  -5.595 -10.546  -4.799
  444    H    GLU  60           H        GLU  60  -3.881 -11.197  -9.243
  445    HA   GLU  60           HA       GLU  60  -1.059 -11.869  -9.553
  446    HB2  GLU  60           2HB      GLU  60  -3.361 -11.796 -11.491
  447    HB3  GLU  60           1HB      GLU  60  -1.704 -12.120 -11.975
  448    HG2  GLU  60           2HG      GLU  60  -3.233 -13.737  -9.960
  449    HG3  GLU  60           1HG      GLU  60  -3.066 -14.153 -11.665
  450    H    GLU  61           H        GLU  61  -0.165 -10.867 -11.775
  451    HA   GLU  61           HA       GLU  61   0.366  -8.138 -11.166
  452    HB2  GLU  61           2HB      GLU  61   2.063  -9.530 -12.206
  453    HB3  GLU  61           1HB      GLU  61   1.032  -9.785 -13.607
  454    HG2  GLU  61           2HG      GLU  61   1.094  -7.243 -13.875
  455    HG3  GLU  61           1HG      GLU  61   2.456  -7.294 -12.761
  456    H    ASP  62           H        ASP  62  -1.416  -9.730 -13.789
  457    HA   ASP  62           HA       ASP  62  -2.097  -7.392 -15.204
  458    HB2  ASP  62           2HB      ASP  62  -3.597 -10.018 -15.058
  459    HB3  ASP  62           1HB      ASP  62  -3.848  -8.766 -16.270
  460    H    GLU  63           H        GLU  63  -3.259  -8.760 -12.328
  461    HA   GLU  63           HA       GLU  63  -5.777  -7.381 -12.267
  462    HB2  GLU  63           2HB      GLU  63  -5.352  -9.556 -11.145
  463    HB3  GLU  63           1HB      GLU  63  -4.227  -8.745 -10.064
  464    HG2  GLU  63           2HG      GLU  63  -5.953  -7.496  -9.056
  465    HG3  GLU  63           1HG      GLU  63  -7.116  -7.976 -10.295
  466    H    LEU  64           H        LEU  64  -2.593  -7.049 -10.729
  467    HA   LEU  64           HA       LEU  64  -3.124  -4.715  -9.287
  468    HB2  LEU  64           2HB      LEU  64  -0.742  -6.187 -10.081
  469    HB3  LEU  64           1HB      LEU  64  -0.489  -4.460  -9.880
  470    HG   LEU  64           HG       LEU  64  -1.899  -4.981  -7.649
  471   HD11  LEU  64          1HD1      LEU  64  -2.058  -7.355  -8.069
  472   HD12  LEU  64          2HD1      LEU  64  -1.065  -7.040  -6.646
  473   HD13  LEU  64          3HD1      LEU  64  -0.303  -7.474  -8.175
  474   HD21  LEU  64          3HD2      LEU  64   0.259  -4.974  -6.487
  475   HD22  LEU  64          1HD2      LEU  64   0.156  -3.752  -7.754
  476   HD23  LEU  64          2HD2      LEU  64   1.071  -5.235  -8.031
  477    H    LYS  65           H        LYS  65  -2.719  -5.208 -12.629
  478    HA   LYS  65           HA       LYS  65  -1.802  -2.743 -13.481
  479    HB2  LYS  65           2HB      LYS  65  -3.230  -4.976 -14.631
  480    HB3  LYS  65           1HB      LYS  65  -3.824  -3.458 -15.281
  481    HG2  LYS  65           2HG      LYS  65  -2.031  -4.492 -16.626
  482    HG3  LYS  65           1HG      LYS  65  -1.653  -2.863 -16.072
  483    HD2  LYS  65           2HD      LYS  65  -0.167  -3.682 -14.411
  484    HD3  LYS  65           1HD      LYS  65  -0.702  -5.352 -14.653
  485    HE2  LYS  65           2HE      LYS  65   0.217  -5.317 -16.917
  486    HE3  LYS  65           1HE      LYS  65   0.731  -3.646 -16.696
  487    HZ1  LYS  65           3HZ      LYS  65   2.161  -4.459 -14.847
  488    HZ2  LYS  65           1HZ      LYS  65   2.595  -5.063 -16.367
  489    HZ3  LYS  65           2HZ      LYS  65   1.757  -6.046 -15.282
  490    H    LEU  66           H        LEU  66  -5.219  -3.698 -12.976
  491    HA   LEU  66           HA       LEU  66  -5.873  -0.839 -12.946
  492    HB2  LEU  66           2HB      LEU  66  -7.654  -3.228 -13.369
  493    HB3  LEU  66           1HB      LEU  66  -8.248  -1.587 -13.192
  494    HG   LEU  66           HG       LEU  66  -8.208  -1.763 -15.469
  495   HD11  LEU  66          1HD1      LEU  66  -6.829   0.129 -14.845
  496   HD12  LEU  66          2HD1      LEU  66  -6.241  -0.596 -16.341
  497   HD13  LEU  66          3HD1      LEU  66  -5.395  -0.897 -14.820
  498   HD21  LEU  66          3HD2      LEU  66  -6.465  -2.983 -16.738
  499   HD22  LEU  66          1HD2      LEU  66  -7.372  -4.005 -15.625
  500   HD23  LEU  66          2HD2      LEU  66  -5.746  -3.474 -15.205
  501    H    PHE  67           H        PHE  67  -5.016  -2.954 -10.680
  502    HA   PHE  67           HA       PHE  67  -7.163  -2.967  -8.855
  503    HB2  PHE  67           2HB      PHE  67  -5.755  -3.997  -7.408
  504    HB3  PHE  67           1HB      PHE  67  -4.735  -4.128  -8.825
  505    HD1  PHE  67           1HD      PHE  67  -5.239  -2.476  -5.626
  506    HD2  PHE  67           2HD      PHE  67  -2.705  -2.765  -9.017
  507    HE1  PHE  67           1HE      PHE  67  -3.471  -1.284  -4.396
  508    HE2  PHE  67           2HE      PHE  67  -0.930  -1.577  -7.802
  509    HZ   PHE  67           HZ       PHE  67  -1.312  -0.833  -5.485
  510    H    LEU  68           H        LEU  68  -4.793  -0.541  -9.646
  511    HA   LEU  68           HA       LEU  68  -5.162   1.081  -7.336
  512    HB2  LEU  68           2HB      LEU  68  -4.268   2.196  -9.965
  513    HB3  LEU  68           1HB      LEU  68  -3.754   2.638  -8.349
  514    HG   LEU  68           HG       LEU  68  -2.882   0.063  -8.495
  515   HD11  LEU  68          1HD1      LEU  68  -1.845  -0.286 -10.641
  516   HD12  LEU  68          2HD1      LEU  68  -2.451   1.260 -11.228
  517   HD13  LEU  68          3HD1      LEU  68  -3.579  -0.049 -10.877
  518   HD21  LEU  68          3HD2      LEU  68  -1.660   2.068  -7.720
  519   HD22  LEU  68          1HD2      LEU  68  -1.349   2.495  -9.402
  520   HD23  LEU  68          2HD2      LEU  68  -0.680   1.006  -8.730
  521    H    GLN  69           H        GLN  69  -6.610   0.925 -10.513
  522    HA   GLN  69           HA       GLN  69  -8.184   3.305 -10.157
  523    HB2  GLN  69           2HB      GLN  69  -8.460   1.077 -12.190
  524    HB3  GLN  69           1HB      GLN  69  -9.262   2.642 -12.262
  525    HG2  GLN  69           2HG      GLN  69  -7.037   3.726 -12.380
  526    HG3  GLN  69           1HG      GLN  69  -6.302   2.124 -12.436
  527   HE21  GLN  69          1HE2      GLN  69  -5.400   2.514 -14.452
  528   HE22  GLN  69          2HE2      GLN  69  -6.347   2.541 -15.896
  529    H    ASN  70           H        ASN  70  -8.295   0.150  -9.082
  530    HA   ASN  70           HA       ASN  70 -11.157   0.056  -8.609
  531    HB2  ASN  70           2HB      ASN  70  -9.846  -2.017  -9.052
  532    HB3  ASN  70           1HB      ASN  70  -8.923  -1.721  -7.585
  533   HD21  ASN  70          1HD2      ASN  70  -9.513  -3.560  -6.539
  534   HD22  ASN  70          2HD2      ASN  70 -11.125  -3.878  -5.995
  535    H    PHE  71           H        PHE  71  -8.240   1.049  -7.104
  536    HA   PHE  71           HA       PHE  71  -9.302   1.197  -4.425
  537    HB2  PHE  71           2HB      PHE  71  -6.893   0.690  -5.015
  538    HB3  PHE  71           1HB      PHE  71  -6.733   2.367  -5.513
  539    HD1  PHE  71           2HD      PHE  71  -8.607   1.138  -2.561
  540    HD2  PHE  71           1HD      PHE  71  -5.115   3.095  -3.998
  541    HE1  PHE  71           2HE      PHE  71  -7.999   1.734  -0.256
  542    HE2  PHE  71           1HE      PHE  71  -4.499   3.693  -1.694
  543    HZ   PHE  71           HZ       PHE  71  -5.940   3.013   0.180
  544    H    SER  72           H        SER  72  -8.194   3.521  -6.886
  545    HA   SER  72           HA       SER  72 -10.157   5.443  -5.895
  546    HB2  SER  72           2HB      SER  72  -7.218   6.087  -6.242
  547    HB3  SER  72           1HB      SER  72  -8.485   7.273  -5.922
  548    HG   SER  72           HG       SER  72  -8.752   5.396  -4.106
  549    H    ALA  73           H        ALA  73 -10.051   7.481  -7.476
  550    HA   ALA  73           HA       ALA  73 -10.519   6.258 -10.077
  551    HB1  ALA  73           1HB      ALA  73 -11.649   8.325 -10.650
  552    HB2  ALA  73           2HB      ALA  73 -11.090   9.067  -9.150
  553    HB3  ALA  73           3HB      ALA  73 -12.223   7.716  -9.098
  554    H    GLY  74           H        GLY  74  -8.527   8.876  -8.731
  555    HA2  GLY  74           2HA      GLY  74  -7.426   9.483 -11.348
  556    HA3  GLY  74           1HA      GLY  74  -7.041  10.298  -9.840
  557    H    ALA  75           H        ALA  75  -6.807   6.920 -10.915
  558    HA   ALA  75           HA       ALA  75  -4.097   6.889  -9.793
  559    HB1  ALA  75           1HB      ALA  75  -5.731   5.308  -8.836
  560    HB2  ALA  75           2HB      ALA  75  -4.340   4.507  -9.565
  561    HB3  ALA  75           3HB      ALA  75  -5.884   4.547 -10.419
  562    H    ARG  76           H        ARG  76  -2.511   5.547 -10.864
  563    HA   ARG  76           HA       ARG  76  -2.760   5.626 -13.777
  564    HB2  ARG  76           2HB      ARG  76  -0.181   5.420 -12.229
  565    HB3  ARG  76           1HB      ARG  76  -0.400   5.905 -13.902
  566    HG2  ARG  76           2HG      ARG  76  -1.397   7.524 -11.570
  567    HG3  ARG  76           1HG      ARG  76   0.188   7.749 -12.310
  568    HD2  ARG  76           2HD      ARG  76  -2.450   7.972 -13.758
  569    HD3  ARG  76           1HD      ARG  76  -1.509   9.335 -13.152
  570    HE   ARG  76           HE       ARG  76   0.124   7.751 -14.806
  571   HH11  ARG  76          1HH1      ARG  76  -2.605   9.929 -15.040
  572   HH12  ARG  76          2HH1      ARG  76  -2.207  10.447 -16.646
  573   HH21  ARG  76          1HH2      ARG  76   0.653   8.451 -16.900
  574   HH22  ARG  76          2HH2      ARG  76  -0.356   9.619 -17.698
  575    H    ALA  77           H        ALA  77  -2.631   3.676 -14.862
  576    HA   ALA  77           HA       ALA  77  -2.574   1.258 -13.323
  577    HB1  ALA  77           1HB      ALA  77  -3.923   1.397 -15.344
  578    HB2  ALA  77           2HB      ALA  77  -2.722   0.108 -15.483
  579    HB3  ALA  77           3HB      ALA  77  -2.469   1.646 -16.312
  580    H    LEU  78           H        LEU  78  -0.809   0.327 -12.581
  581    HA   LEU  78           HA       LEU  78   1.789   1.179 -13.237
  582    HB2  LEU  78           2HB      LEU  78   0.910  -1.367 -11.876
  583    HB3  LEU  78           1HB      LEU  78   2.548  -0.744 -11.895
  584    HG   LEU  78           HG       LEU  78   0.152   0.443 -10.515
  585   HD11  LEU  78          1HD1      LEU  78   1.509   0.145  -8.517
  586   HD12  LEU  78          2HD1      LEU  78   2.809  -0.538  -9.494
  587   HD13  LEU  78          3HD1      LEU  78   1.269  -1.388  -9.356
  588   HD21  LEU  78          3HD2      LEU  78   1.647   2.247  -9.782
  589   HD22  LEU  78          1HD2      LEU  78   1.398   2.261 -11.527
  590   HD23  LEU  78          2HD2      LEU  78   2.901   1.629 -10.855
  591    H    SER  79           H        SER  79   2.992   0.728 -14.927
  592    HA   SER  79           HA       SER  79   2.460  -1.789 -16.373
  593    HB2  SER  79           2HB      SER  79   3.282   0.827 -17.646
  594    HB3  SER  79           1HB      SER  79   2.721  -0.637 -18.456
  595    HG   SER  79           HG       SER  79   1.147   0.863 -16.620
  596    H    ASP  80           H        ASP  80   4.182  -3.031 -16.789
  597    HA   ASP  80           HA       ASP  80   6.302  -3.777 -17.035
  598    HB2  ASP  80           2HB      ASP  80   6.960  -0.867 -17.497
  599    HB3  ASP  80           1HB      ASP  80   8.044  -2.215 -17.821
  600    H    ALA  81           H        ALA  81   8.063  -1.091 -16.003
  601    HA   ALA  81           HA       ALA  81   9.183  -2.681 -13.956
  602    HB1  ALA  81           1HB      ALA  81  10.510  -1.080 -15.250
  603    HB2  ALA  81           2HB      ALA  81  10.648  -0.786 -13.516
  604    HB3  ALA  81           3HB      ALA  81   9.622   0.250 -14.508
  605    H    GLU  82           H        GLU  82   6.711  -0.290 -14.010
  606    HA   GLU  82           HA       GLU  82   6.728   0.493 -11.288
  607    HB2  GLU  82           2HB      GLU  82   4.182   0.318 -12.864
  608    HB3  GLU  82           1HB      GLU  82   4.703   1.558 -11.729
  609    HG2  GLU  82           2HG      GLU  82   6.377   2.302 -13.371
  610    HG3  GLU  82           1HG      GLU  82   5.740   1.113 -14.506
  611    H    THR  83           H        THR  83   4.819  -1.911 -13.044
  612    HA   THR  83           HA       THR  83   3.617  -2.995 -10.718
  613    HB   THR  83           HB       THR  83   4.049  -4.854 -12.967
  614    HG1  THR  83           1HG      THR  83   2.347  -2.606 -13.370
  615   HG21  THR  83          3HG2      THR  83   1.628  -5.159 -12.699
  616   HG22  THR  83          1HG2      THR  83   1.595  -3.832 -11.538
  617   HG23  THR  83          2HG2      THR  83   2.475  -5.313 -11.159
  618    H    LYS  84           H        LYS  84   6.501  -3.833 -12.586
  619    HA   LYS  84           HA       LYS  84   7.135  -6.250 -11.373
  620    HB2  LYS  84           2HB      LYS  84   8.184  -5.473 -13.427
  621    HB3  LYS  84           1HB      LYS  84   8.966  -4.163 -12.558
  622    HG2  LYS  84           2HG      LYS  84  10.417  -5.645 -11.431
  623    HG3  LYS  84           1HG      LYS  84   9.481  -7.056 -11.933
  624    HD2  LYS  84           2HD      LYS  84  10.116  -6.710 -14.238
  625    HD3  LYS  84           1HD      LYS  84  10.940  -5.208 -13.820
  626    HE2  LYS  84           2HE      LYS  84  11.712  -7.901 -12.715
  627    HE3  LYS  84           1HE      LYS  84  12.432  -7.200 -14.161
  628    HZ1  LYS  84           3HZ      LYS  84  13.779  -6.788 -12.205
  629    HZ2  LYS  84           1HZ      LYS  84  12.490  -5.997 -11.450
  630    HZ3  LYS  84           2HZ      LYS  84  13.193  -5.335 -12.836
  631    H    VAL  85           H        VAL  85   8.586  -3.066 -10.609
  632    HA   VAL  85           HA       VAL  85  10.011  -4.040  -8.365
  633    HB   VAL  85           HB       VAL  85   9.185  -1.194  -8.969
  634   HG11  VAL  85          1HG1      VAL  85  11.086  -0.565  -7.558
  635   HG12  VAL  85          2HG1      VAL  85  11.363  -2.265  -7.180
  636   HG13  VAL  85          3HG1      VAL  85   9.878  -1.476  -6.652
  637   HG21  VAL  85          3HG2      VAL  85  11.443  -0.984  -9.936
  638   HG22  VAL  85          1HG2      VAL  85  10.439  -2.140 -10.812
  639   HG23  VAL  85          2HG2      VAL  85  11.682  -2.716  -9.703
  640    H    PHE  86           H        PHE  86   6.866  -2.497  -8.727
  641    HA   PHE  86           HA       PHE  86   6.352  -2.049  -6.005
  642    HB2  PHE  86           2HB      PHE  86   5.122  -0.980  -7.871
  643    HB3  PHE  86           1HB      PHE  86   4.365  -2.515  -8.237
  644    HD1  PHE  86           1HD      PHE  86   4.759  -0.021  -5.517
  645    HD2  PHE  86           2HD      PHE  86   2.360  -3.109  -7.191
  646    HE1  PHE  86           1HE      PHE  86   2.974   0.500  -3.908
  647    HE2  PHE  86           2HE      PHE  86   0.570  -2.592  -5.585
  648    HZ   PHE  86           HZ       PHE  86   0.876  -0.785  -3.939
  649    H    LEU  87           H        LEU  87   5.580  -4.813  -8.112
  650    HA   LEU  87           HA       LEU  87   4.191  -6.333  -6.186
  651    HB2  LEU  87           2HB      LEU  87   5.840  -7.187  -8.568
  652    HB3  LEU  87           1HB      LEU  87   4.921  -8.309  -7.586
  653    HG   LEU  87           HG       LEU  87   3.693  -6.003  -9.099
  654   HD11  LEU  87          1HD1      LEU  87   4.690  -7.593 -10.649
  655   HD12  LEU  87          2HD1      LEU  87   2.930  -7.695 -10.693
  656   HD13  LEU  87          3HD1      LEU  87   3.864  -8.921  -9.835
  657   HD21  LEU  87          3HD2      LEU  87   2.359  -6.716  -7.207
  658   HD22  LEU  87          1HD2      LEU  87   2.492  -8.400  -7.715
  659   HD23  LEU  87          2HD2      LEU  87   1.600  -7.247  -8.706
  660    H    LYS  88           H        LYS  88   7.617  -6.068  -6.984
  661    HA   LYS  88           HA       LYS  88   8.531  -8.177  -5.347
  662    HB2  LYS  88           2HB      LYS  88   9.963  -5.722  -6.366
  663    HB3  LYS  88           1HB      LYS  88  10.757  -7.071  -5.564
  664    HG2  LYS  88           2HG      LYS  88   9.175  -7.308  -8.108
  665    HG3  LYS  88           1HG      LYS  88  10.927  -7.127  -8.025
  666    HD2  LYS  88           2HD      LYS  88  10.957  -9.179  -6.573
  667    HD3  LYS  88           1HD      LYS  88   9.254  -9.399  -6.978
  668    HE2  LYS  88           2HE      LYS  88   9.803  -9.562  -9.333
  669    HE3  LYS  88           1HE      LYS  88  11.501  -9.243  -8.983
  670    HZ1  LYS  88           3HZ      LYS  88   9.939 -11.610  -8.118
  671    HZ2  LYS  88           1HZ      LYS  88  11.538 -11.295  -7.659
  672    HZ3  LYS  88           2HZ      LYS  88  11.160 -11.585  -9.283
  673    H    ALA  89           H        ALA  89   7.579  -4.943  -4.623
  674    HA   ALA  89           HA       ALA  89   8.979  -4.572  -2.208
  675    HB1  ALA  89           1HB      ALA  89   7.809  -2.754  -3.378
  676    HB2  ALA  89           2HB      ALA  89   7.318  -2.873  -1.688
  677    HB3  ALA  89           3HB      ALA  89   6.262  -3.491  -2.958
  678    H    GLY  90           H        GLY  90   6.308  -6.581  -3.026
  679    HA2  GLY  90           2HA      GLY  90   5.864  -7.135  -0.159
  680    HA3  GLY  90           1HA      GLY  90   4.559  -7.136  -1.336
  681    H    ASP  91           H        ASP  91   5.548  -8.564  -3.410
  682    HA   ASP  91           HA       ASP  91   5.143 -11.216  -2.547
  683    HB2  ASP  91           2HB      ASP  91   4.630 -10.472  -4.825
  684    HB3  ASP  91           1HB      ASP  91   6.351 -10.263  -5.147
  685    H    SER  92           H        SER  92   6.507 -12.447  -1.448
  686    HA   SER  92           HA       SER  92   9.368 -11.856  -1.547
  687    HB2  SER  92           2HB      SER  92   8.227 -11.992   0.652
  688    HB3  SER  92           1HB      SER  92   7.803 -13.666   0.313
  689    HG   SER  92           HG       SER  92  10.494 -12.838   0.217
  690    H    ASP  93           H        ASP  93   7.128 -13.956  -2.890
  691    HA   ASP  93           HA       ASP  93   8.825 -16.308  -2.914
  692    HB2  ASP  93           2HB      ASP  93   6.384 -16.053  -4.631
  693    HB3  ASP  93           1HB      ASP  93   7.036 -17.478  -3.832
  694    H    GLY  94           H        GLY  94   8.151 -13.628  -4.990
  695    HA2  GLY  94           2HA      GLY  94   9.254 -12.988  -6.928
  696    HA3  GLY  94           1HA      GLY  94  10.147 -14.504  -6.886
  697    H    ASP  95           H        ASP  95   6.659 -14.058  -6.812
  698    HA   ASP  95           HA       ASP  95   6.487 -15.815  -9.165
  699    HB2  ASP  95           2HB      ASP  95   4.133 -16.239  -8.362
  700    HB3  ASP  95           1HB      ASP  95   5.403 -16.808  -7.285
  701    H    GLY  96           H        GLY  96   5.763 -12.642  -8.028
  702    HA2  GLY  96           2HA      GLY  96   5.381 -10.844  -9.518
  703    HA3  GLY  96           1HA      GLY  96   4.823 -11.992 -10.722
  704    H    LYS  97           H        LYS  97   3.664 -12.094  -7.462
  705    HA   LYS  97           HA       LYS  97   1.107 -10.794  -8.227
  706    HB2  LYS  97           2HB      LYS  97  -0.128 -12.608  -7.543
  707    HB3  LYS  97           1HB      LYS  97   1.308 -13.478  -8.067
  708    HG2  LYS  97           2HG      LYS  97   2.103 -13.204  -5.613
  709    HG3  LYS  97           1HG      LYS  97   0.407 -12.833  -5.285
  710    HD2  LYS  97           2HD      LYS  97   1.422 -15.350  -6.597
  711    HD3  LYS  97           1HD      LYS  97   0.897 -15.202  -4.921
  712    HE2  LYS  97           2HE      LYS  97  -1.343 -14.550  -5.715
  713    HE3  LYS  97           1HE      LYS  97  -0.801 -14.789  -7.375
  714    HZ1  LYS  97           3HZ      LYS  97  -0.297 -17.115  -6.773
  715    HZ2  LYS  97           1HZ      LYS  97  -1.941 -16.739  -6.649
  716    HZ3  LYS  97           2HZ      LYS  97  -0.992 -16.852  -5.257
  717    H    ILE  98           H        ILE  98  -0.170 -10.343  -6.231
  718    HA   ILE  98           HA       ILE  98   1.640  -9.715  -4.010
  719    HB   ILE  98           HB       ILE  98  -0.880  -8.336  -4.897
  720   HG12  ILE  98          2HG1      ILE  98   1.181  -7.642  -6.014
  721   HG13  ILE  98          1HG1      ILE  98   0.600  -6.357  -4.966
  722   HG21  ILE  98          1HG2      ILE  98   0.651  -7.922  -2.336
  723   HG22  ILE  98          2HG2      ILE  98  -0.974  -8.589  -2.481
  724   HG23  ILE  98          3HG2      ILE  98  -0.669  -6.908  -2.917
  725   HD11  ILE  98          3HD1      ILE  98   2.236  -7.161  -3.243
  726   HD12  ILE  98          1HD1      ILE  98   2.943  -6.470  -4.702
  727   HD13  ILE  98          2HD1      ILE  98   2.905  -8.218  -4.487
  728    H    GLY  99           H        GLY  99   1.476 -11.608  -2.884
  729    HA2  GLY  99           2HA      GLY  99  -0.943 -12.738  -2.007
  730    HA3  GLY  99           1HA      GLY  99   0.577 -12.771  -1.111
  731    H    VAL 100           H        VAL 100  -2.296 -12.155  -0.301
  732    HA   VAL 100           HA       VAL 100  -2.695  -9.492   0.134
  733    HB   VAL 100           HB       VAL 100  -3.997 -10.322   2.155
  734   HG11  VAL 100          1HG1      VAL 100  -5.780 -11.108   0.722
  735   HG12  VAL 100          2HG1      VAL 100  -4.617 -11.537  -0.531
  736   HG13  VAL 100          3HG1      VAL 100  -4.891  -9.842  -0.131
  737   HG21  VAL 100          3HG2      VAL 100  -3.349 -12.998   0.953
  738   HG22  VAL 100          1HG2      VAL 100  -4.456 -12.688   2.286
  739   HG23  VAL 100          2HG2      VAL 100  -2.729 -12.405   2.491
  740    H    ASP 101           H        ASP 101  -0.971 -11.799   2.175
  741    HA   ASP 101           HA       ASP 101  -0.386  -9.847   4.189
  742    HB2  ASP 101           2HB      ASP 101  -0.649 -12.210   4.713
  743    HB3  ASP 101           1HB      ASP 101   0.738 -12.609   3.701
  744    H    GLU 102           H        GLU 102   1.116 -11.000   1.282
  745    HA   GLU 102           HA       GLU 102   3.727 -10.019   1.645
  746    HB2  GLU 102           2HB      GLU 102   2.153 -10.098  -0.949
  747    HB3  GLU 102           1HB      GLU 102   3.903 -10.009  -0.790
  748    HG2  GLU 102           2HG      GLU 102   2.181 -12.322   0.069
  749    HG3  GLU 102           1HG      GLU 102   3.149 -12.246  -1.400
  750    H    PHE 103           H        PHE 103   0.767  -8.504   0.449
  751    HA   PHE 103           HA       PHE 103   1.906  -6.009  -0.226
  752    HB2  PHE 103           2HB      PHE 103  -0.406  -6.934  -0.863
  753    HB3  PHE 103           1HB      PHE 103  -0.932  -6.380   0.721
  754    HD1  PHE 103           2HD      PHE 103   0.700  -5.192  -2.394
  755    HD2  PHE 103           1HD      PHE 103  -1.654  -4.195   1.001
  756    HE1  PHE 103           2HE      PHE 103   0.337  -2.944  -3.317
  757    HE2  PHE 103           1HE      PHE 103  -2.020  -1.939   0.086
  758    HZ   PHE 103           HZ       PHE 103  -1.026  -1.312  -2.075
  759    H    GLY 104           H        GLY 104   0.357  -7.216   2.721
  760    HA2  GLY 104           2HA      GLY 104   0.389  -4.899   4.257
  761    HA3  GLY 104           1HA      GLY 104   0.548  -6.525   4.906
  762    H    ALA 105           H        ALA 105   2.978  -7.190   3.617
  763    HA   ALA 105           HA       ALA 105   4.847  -6.165   5.456
  764    HB1  ALA 105           1HB      ALA 105   5.359  -7.583   2.841
  765    HB2  ALA 105           2HB      ALA 105   5.066  -8.361   4.396
  766    HB3  ALA 105           3HB      ALA 105   6.512  -7.380   4.161
  767    H    MET 106           H        MET 106   3.971  -5.162   2.189
  768    HA   MET 106           HA       MET 106   6.292  -3.447   1.959
  769    HB2  MET 106           2HB      MET 106   5.726  -3.112  -0.241
  770    HB3  MET 106           1HB      MET 106   4.952  -4.660   0.038
  771    HG2  MET 106           2HG      MET 106   2.818  -3.677   0.188
  772    HG3  MET 106           1HG      MET 106   3.493  -2.056   0.320
  773    HE1  MET 106           3HE      MET 106   3.463  -4.575  -3.545
  774    HE2  MET 106           1HE      MET 106   2.742  -5.086  -2.021
  775    HE3  MET 106           2HE      MET 106   4.496  -4.973  -2.172
  776    H    ILE 107           H        ILE 107   3.085  -3.192   3.148
  777    HA   ILE 107           HA       ILE 107   2.894  -0.319   2.970
  778    HB   ILE 107           HB       ILE 107   1.365  -2.226   4.763
  779   HG12  ILE 107          2HG1      ILE 107   0.517  -1.089   2.093
  780   HG13  ILE 107          1HG1      ILE 107   1.138  -2.721   2.321
  781   HG21  ILE 107          1HG2      ILE 107   1.265   0.089   5.508
  782   HG22  ILE 107          2HG2      ILE 107  -0.298  -0.440   4.885
  783   HG23  ILE 107          3HG2      ILE 107   0.739   0.595   3.903
  784   HD11  ILE 107          3HD1      ILE 107  -0.732  -3.279   3.729
  785   HD12  ILE 107          1HD1      ILE 107  -1.316  -2.623   2.202
  786   HD13  ILE 107          2HD1      ILE 107  -1.324  -1.621   3.652
  787    H    LYS 108           H        LYS 108   4.093  -2.701   5.116
  788    HA   LYS 108           HA       LYS 108   4.353  -0.862   7.344
  789    HB2  LYS 108           2HB      LYS 108   3.462  -2.918   7.970
  790    HB3  LYS 108           1HB      LYS 108   4.568  -3.822   6.952
  791    HG2  LYS 108           2HG      LYS 108   5.810  -2.307   9.145
  792    HG3  LYS 108           1HG      LYS 108   4.770  -3.650   9.622
  793    HD2  LYS 108           2HD      LYS 108   6.045  -5.109   8.056
  794    HD3  LYS 108           1HD      LYS 108   7.145  -3.760   7.768
  795    HE2  LYS 108           2HE      LYS 108   7.999  -5.361   9.433
  796    HE3  LYS 108           1HE      LYS 108   7.793  -3.738  10.088
  797    HZ1  LYS 108           3HZ      LYS 108   6.983  -5.418  11.620
  798    HZ2  LYS 108           1HZ      LYS 108   5.904  -6.002  10.455
  799    HZ3  LYS 108           2HZ      LYS 108   5.708  -4.446  11.087
  800    H    ALA 109           H        ALA 109   6.332  -2.393   4.910
  801    HA   ALA 109           HA       ALA 109   8.616  -0.871   5.905
  802    HB1  ALA 109           1HB      ALA 109   8.928  -3.062   6.885
  803    HB2  ALA 109           2HB      ALA 109  10.129  -2.793   5.622
  804    HB3  ALA 109           3HB      ALA 109   8.733  -3.824   5.308
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1 -19.809  12.053  -4.528
    2    H2   MET   1           2HT      MET   1 -21.042  10.949  -4.197
    3    H3   MET   1           3HT      MET   1 -20.444  11.097  -5.770
    4    HA   MET   1           HA       MET   1 -19.617   9.108  -4.700
    5    HB2  MET   1           2HB      MET   1 -17.239   9.463  -5.149
    6    HB3  MET   1           1HB      MET   1 -18.226  10.228  -6.385
    7    HG2  MET   1           2HG      MET   1 -17.919  12.392  -5.218
    8    HG3  MET   1           1HG      MET   1 -16.826  11.586  -4.097
    9    HE1  MET   1           2HE      MET   1 -14.533  10.441  -4.853
   10    HE2  MET   1           3HE      MET   1 -13.919  10.476  -6.505
   11    HE3  MET   1           1HE      MET   1 -15.355   9.527  -6.117
   12    H    ALA   2           H        ALA   2 -18.538   8.114  -2.989
   13    HA   ALA   2           HA       ALA   2 -17.945   9.807  -0.669
   14    HB1  ALA   2           1HB      ALA   2 -19.663   7.332  -0.555
   15    HB2  ALA   2           2HB      ALA   2 -20.252   8.990  -0.432
   16    HB3  ALA   2           3HB      ALA   2 -19.184   8.338   0.811
   17    H    PHE   3           H        PHE   3 -16.251   9.169   0.510
   18    HA   PHE   3           HA       PHE   3 -15.125   6.493   0.039
   19    HB2  PHE   3           2HB      PHE   3 -13.782   9.153  -0.164
   20    HB3  PHE   3           1HB      PHE   3 -12.865   7.816   0.515
   21    HD1  PHE   3           1HD      PHE   3 -14.572   9.064  -2.497
   22    HD2  PHE   3           2HD      PHE   3 -12.076   6.040  -0.846
   23    HE1  PHE   3           1HE      PHE   3 -14.019   8.284  -4.765
   24    HE2  PHE   3           2HE      PHE   3 -11.520   5.255  -3.109
   25    HZ   PHE   3           HZ       PHE   3 -12.491   6.379  -5.074
   26    H    ALA   4           H        ALA   4 -14.044   5.586   1.813
   27    HA   ALA   4           HA       ALA   4 -14.935   6.555   4.386
   28    HB1  ALA   4           1HB      ALA   4 -13.206   4.180   3.688
   29    HB2  ALA   4           2HB      ALA   4 -14.958   4.152   3.888
   30    HB3  ALA   4           3HB      ALA   4 -13.919   4.515   5.266
   31    H    GLY   5           H        GLY   5 -13.599   7.287   6.046
   32    HA2  GLY   5           2HA      GLY   5 -11.434   8.911   5.206
   33    HA3  GLY   5           1HA      GLY   5 -11.931   8.633   6.870
   34    H    ILE   6           H        ILE   6 -11.408   5.665   5.590
   35    HA   ILE   6           HA       ILE   6  -8.965   5.113   6.856
   36    HB   ILE   6           HB       ILE   6 -10.121   3.673   4.456
   37   HG12  ILE   6          2HG1      ILE   6 -10.660   3.191   7.394
   38   HG13  ILE   6          1HG1      ILE   6 -11.791   3.923   6.264
   39   HG21  ILE   6          1HG2      ILE   6  -7.830   3.042   4.980
   40   HG22  ILE   6          2HG2      ILE   6  -8.940   1.725   5.359
   41   HG23  ILE   6          3HG2      ILE   6  -8.284   2.727   6.654
   42   HD11  ILE   6          3HD1      ILE   6 -12.324   1.590   6.671
   43   HD12  ILE   6          1HD1      ILE   6 -10.719   1.116   6.116
   44   HD13  ILE   6          2HD1      ILE   6 -11.862   1.847   4.989
   45    H    LEU   7           H        LEU   7  -9.802   6.282   3.676
   46    HA   LEU   7           HA       LEU   7  -6.997   6.920   3.178
   47    HB2  LEU   7           2HB      LEU   7  -7.030   6.089   0.930
   48    HB3  LEU   7           1HB      LEU   7  -7.482   4.780   2.001
   49    HG   LEU   7           HG       LEU   7  -9.605   6.397   0.628
   50   HD11  LEU   7          1HD1      LEU   7  -8.122   4.052  -0.546
   51   HD12  LEU   7          2HD1      LEU   7  -8.089   5.711  -1.140
   52   HD13  LEU   7          3HD1      LEU   7  -9.585   4.781  -1.209
   53   HD21  LEU   7          3HD2      LEU   7  -9.461   3.532   1.559
   54   HD22  LEU   7          1HD2      LEU   7 -10.860   4.311   0.818
   55   HD23  LEU   7          2HD2      LEU   7 -10.280   4.853   2.393
   56    H    ASN   8           H        ASN   8  -6.779   8.944   2.414
   57    HA   ASN   8           HA       ASN   8  -9.175  10.397   1.657
   58    HB2  ASN   8           2HB      ASN   8  -6.335  11.233   2.177
   59    HB3  ASN   8           1HB      ASN   8  -7.504  12.334   1.455
   60   HD21  ASN   8          1HD2      ASN   8  -6.831  10.354   4.245
   61   HD22  ASN   8          2HD2      ASN   8  -7.778  11.264   5.369
   62    H    ASP   9           H        ASP   9  -9.835  10.223  -0.362
   63    HA   ASP   9           HA       ASP   9  -8.454   9.081  -2.478
   64    HB2  ASP   9           2HB      ASP   9 -10.849   9.228  -2.518
   65    HB3  ASP   9           1HB      ASP   9 -10.797  10.985  -2.462
   66    H    ALA  10           H        ALA  10  -8.574  12.405  -1.437
   67    HA   ALA  10           HA       ALA  10  -7.293  13.560  -3.698
   68    HB1  ALA  10           1HB      ALA  10  -7.442  14.496  -0.829
   69    HB2  ALA  10           2HB      ALA  10  -8.562  14.911  -2.127
   70    HB3  ALA  10           3HB      ALA  10  -6.892  15.472  -2.193
   71    H    ASP  11           H        ASP  11  -6.106  12.268  -0.613
   72    HA   ASP  11           HA       ASP  11  -3.390  12.948  -1.036
   73    HB2  ASP  11           2HB      ASP  11  -4.813  11.089   0.823
   74    HB3  ASP  11           1HB      ASP  11  -3.062  10.990   0.679
   75    H    ILE  12           H        ILE  12  -5.249  10.018  -1.589
   76    HA   ILE  12           HA       ILE  12  -3.234   8.393  -2.620
   77    HB   ILE  12           HB       ILE  12  -6.188   8.553  -2.990
   78   HG12  ILE  12          2HG1      ILE  12  -6.021   6.184  -2.171
   79   HG13  ILE  12          1HG1      ILE  12  -4.286   6.415  -2.020
   80   HG21  ILE  12          1HG2      ILE  12  -6.161   6.596  -4.493
   81   HG22  ILE  12          2HG2      ILE  12  -4.411   6.752  -4.628
   82   HG23  ILE  12          3HG2      ILE  12  -5.458   8.032  -5.234
   83   HD11  ILE  12          3HD1      ILE  12  -4.714   8.232  -0.407
   84   HD12  ILE  12          1HD1      ILE  12  -5.316   6.662   0.123
   85   HD13  ILE  12          2HD1      ILE  12  -6.437   7.868  -0.508
   86    H    THR  13           H        THR  13  -5.405  10.644  -4.299
   87    HA   THR  13           HA       THR  13  -4.317  10.351  -6.863
   88    HB   THR  13           HB       THR  13  -5.708  12.741  -5.633
   89    HG1  THR  13           1HG      THR  13  -7.194  11.162  -5.652
   90   HG21  THR  13          3HG2      THR  13  -6.210  13.412  -7.923
   91   HG22  THR  13          1HG2      THR  13  -5.262  12.060  -8.541
   92   HG23  THR  13          2HG2      THR  13  -4.469  13.362  -7.655
   93    H    ALA  14           H        ALA  14  -3.410  12.453  -4.172
   94    HA   ALA  14           HA       ALA  14  -1.661  14.162  -5.510
   95    HB1  ALA  14           1HB      ALA  14  -2.426  14.528  -3.212
   96    HB2  ALA  14           2HB      ALA  14  -0.670  14.612  -3.336
   97    HB3  ALA  14           3HB      ALA  14  -1.438  13.172  -2.672
   98    H    ALA  15           H        ALA  15  -0.808  11.207  -3.664
   99    HA   ALA  15           HA       ALA  15   1.889  11.153  -4.406
  100    HB1  ALA  15           1HB      ALA  15   0.115   8.810  -3.758
  101    HB2  ALA  15           2HB      ALA  15   0.934   9.836  -2.581
  102    HB3  ALA  15           3HB      ALA  15   1.878   8.839  -3.689
  103    H    LEU  16           H        LEU  16  -0.937   9.740  -6.002
  104    HA   LEU  16           HA       LEU  16   0.515   8.319  -7.982
  105    HB2  LEU  16           2HB      LEU  16  -2.343   9.257  -7.839
  106    HB3  LEU  16           1HB      LEU  16  -1.718   8.331  -9.187
  107    HG   LEU  16           HG       LEU  16  -1.603   7.350  -6.342
  108   HD11  LEU  16          1HD1      LEU  16  -3.707   6.887  -8.442
  109   HD12  LEU  16          2HD1      LEU  16  -3.919   7.686  -6.884
  110   HD13  LEU  16          3HD1      LEU  16  -3.554   5.961  -6.948
  111   HD21  LEU  16          3HD2      LEU  16  -1.314   5.172  -7.415
  112   HD22  LEU  16          1HD2      LEU  16  -0.040   6.294  -7.892
  113   HD23  LEU  16          2HD2      LEU  16  -1.367   5.942  -9.000
  114    H    ALA  17           H        ALA  17  -0.701  11.596  -7.774
  115    HA   ALA  17           HA       ALA  17  -0.374  12.274 -10.512
  116    HB1  ALA  17           1HB      ALA  17  -0.407  14.074  -8.092
  117    HB2  ALA  17           2HB      ALA  17  -1.820  13.549  -9.008
  118    HB3  ALA  17           3HB      ALA  17  -0.611  14.584  -9.767
  119    H    ALA  18           H        ALA  18   1.737  12.284  -7.735
  120    HA   ALA  18           HA       ALA  18   3.855  13.733  -9.028
  121    HB1  ALA  18           1HB      ALA  18   3.596  13.795  -6.597
  122    HB2  ALA  18           2HB      ALA  18   5.172  13.148  -7.052
  123    HB3  ALA  18           3HB      ALA  18   3.893  12.059  -6.516
  124    H    CYS  19           H        CYS  19   2.602  10.738  -9.441
  125    HA   CYS  19           HA       CYS  19   5.172   9.608 -10.322
  126    HB2  CYS  19           2HB      CYS  19   2.654   8.141  -9.510
  127    HB3  CYS  19           1HB      CYS  19   4.167   7.395 -10.012
  128    HG   CYS  19           HG       CYS  19   3.457   9.005  -7.097
  129    H    LYS  20           H        LYS  20   4.391  11.208 -12.149
  130    HA   LYS  20           HA       LYS  20   2.748   9.714 -14.058
  131    HB2  LYS  20           2HB      LYS  20   2.127  12.067 -13.705
  132    HB3  LYS  20           1HB      LYS  20   3.749  12.567 -14.161
  133    HG2  LYS  20           2HG      LYS  20   3.427  11.794 -16.399
  134    HG3  LYS  20           1HG      LYS  20   1.878  11.073 -15.974
  135    HD2  LYS  20           2HD      LYS  20   1.281  13.057 -17.037
  136    HD3  LYS  20           1HD      LYS  20   1.177  13.461 -15.326
  137    HE2  LYS  20           2HE      LYS  20   3.602  14.031 -17.020
  138    HE3  LYS  20           1HE      LYS  20   2.285  15.178 -16.805
  139    HZ1  LYS  20           3HZ      LYS  20   2.722  15.051 -14.377
  140    HZ2  LYS  20           1HZ      LYS  20   4.002  15.699 -15.271
  141    HZ3  LYS  20           2HZ      LYS  20   4.090  14.114 -14.706
  142    H    ALA  21           H        ALA  21   5.959  10.753 -13.352
  143    HA   ALA  21           HA       ALA  21   7.051  10.446 -15.954
  144    HB1  ALA  21           1HB      ALA  21   8.347  10.476 -13.240
  145    HB2  ALA  21           2HB      ALA  21   8.199  11.818 -14.372
  146    HB3  ALA  21           3HB      ALA  21   9.234  10.446 -14.761
  147    H    GLU  22           H        GLU  22   7.624   8.689 -17.002
  148    HA   GLU  22           HA       GLU  22   6.999   6.113 -16.083
  149    HB2  GLU  22           2HB      GLU  22   8.240   5.359 -18.138
  150    HB3  GLU  22           1HB      GLU  22   6.970   6.538 -18.431
  151    HG2  GLU  22           2HG      GLU  22   8.688   8.311 -18.504
  152    HG3  GLU  22           1HG      GLU  22   9.929   7.075 -18.321
  153    H    GLY  23           H        GLY  23   8.045   4.847 -14.726
  154    HA2  GLY  23           2HA      GLY  23   9.907   3.667 -13.913
  155    HA3  GLY  23           1HA      GLY  23  10.963   4.836 -14.691
  156    H    SER  24           H        SER  24   8.620   6.551 -13.121
  157    HA   SER  24           HA       SER  24  10.197   6.682 -10.641
  158    HB2  SER  24           2HB      SER  24  10.712   8.615 -12.099
  159    HB3  SER  24           1HB      SER  24   9.001   9.035 -12.126
  160    HG   SER  24           HG       SER  24   9.082   9.596 -10.014
  161    H    PHE  25           H        PHE  25   8.207   5.039 -10.494
  162    HA   PHE  25           HA       PHE  25   5.910   6.520  -9.429
  163    HB2  PHE  25           2HB      PHE  25   6.262   3.624 -10.201
  164    HB3  PHE  25           1HB      PHE  25   4.847   4.219  -9.337
  165    HD1  PHE  25           2HD      PHE  25   6.804   4.681 -12.465
  166    HD2  PHE  25           1HD      PHE  25   3.056   5.136 -10.508
  167    HE1  PHE  25           2HE      PHE  25   5.764   5.296 -14.606
  168    HE2  PHE  25           1HE      PHE  25   2.010   5.751 -12.646
  169    HZ   PHE  25           HZ       PHE  25   3.366   5.831 -14.699
  170    H    ASP  26           H        ASP  26   6.275   7.099  -7.409
  171    HA   ASP  26           HA       ASP  26   7.935   5.547  -5.649
  172    HB2  ASP  26           2HB      ASP  26   6.418   8.129  -5.356
  173    HB3  ASP  26           1HB      ASP  26   7.184   7.353  -3.976
  174    H    HIS  27           H        HIS  27   6.689   3.611  -5.665
  175    HA   HIS  27           HA       HIS  27   4.052   3.422  -4.735
  176    HB2  HIS  27           2HB      HIS  27   4.565   0.999  -4.375
  177    HB3  HIS  27           1HB      HIS  27   4.982   1.593  -5.973
  178    HD1  HIS  27           1HD      HIS  27   7.382   1.301  -6.716
  179    HD2  HIS  27           2HD      HIS  27   6.828   0.476  -2.674
  180    HE1  HIS  27           1HE      HIS  27   9.526   0.253  -5.937
  181    HE2  HIS  27           2HE      HIS  27   9.239  -0.052  -3.453
  182    H    LYS  28           H        LYS  28   7.083   3.469  -3.020
  183    HA   LYS  28           HA       LYS  28   6.004   2.709  -0.490
  184    HB2  LYS  28           2HB      LYS  28   8.373   2.473  -0.956
  185    HB3  LYS  28           1HB      LYS  28   8.505   4.202  -1.243
  186    HG2  LYS  28           2HG      LYS  28   8.061   4.687   1.069
  187    HG3  LYS  28           1HG      LYS  28   7.753   2.985   1.405
  188    HD2  LYS  28           2HD      LYS  28  10.384   4.099   0.449
  189    HD3  LYS  28           1HD      LYS  28   9.996   3.748   2.132
  190    HE2  LYS  28           2HE      LYS  28   9.630   1.400   1.553
  191    HE3  LYS  28           1HE      LYS  28  10.033   1.748  -0.126
  192    HZ1  LYS  28           3HZ      LYS  28  11.925   0.828   1.008
  193    HZ2  LYS  28           1HZ      LYS  28  11.845   2.020   2.204
  194    HZ3  LYS  28           2HZ      LYS  28  12.244   2.442   0.617
  195    H    ALA  29           H        ALA  29   6.957   5.812  -1.939
  196    HA   ALA  29           HA       ALA  29   6.197   7.506   0.108
  197    HB1  ALA  29           1HB      ALA  29   5.841   8.103  -2.820
  198    HB2  ALA  29           2HB      ALA  29   7.384   8.190  -1.970
  199    HB3  ALA  29           3HB      ALA  29   6.060   9.261  -1.510
  200    H    PHE  30           H        PHE  30   4.252   5.874  -2.296
  201    HA   PHE  30           HA       PHE  30   1.836   7.220  -1.897
  202    HB2  PHE  30           2HB      PHE  30   2.257   5.666  -3.769
  203    HB3  PHE  30           1HB      PHE  30   2.292   4.314  -2.642
  204    HD1  PHE  30           1HD      PHE  30   0.145   6.859  -4.210
  205    HD2  PHE  30           2HD      PHE  30   0.285   3.331  -1.836
  206    HE1  PHE  30           1HE      PHE  30  -2.282   6.579  -4.490
  207    HE2  PHE  30           2HE      PHE  30  -2.141   3.045  -2.112
  208    HZ   PHE  30           HZ       PHE  30  -3.428   4.669  -3.443
  209    H    PHE  31           H        PHE  31   2.807   4.043  -0.471
  210    HA   PHE  31           HA       PHE  31   0.548   3.850   1.200
  211    HB2  PHE  31           2HB      PHE  31   1.527   1.972   2.176
  212    HB3  PHE  31           1HB      PHE  31   2.261   2.037   0.602
  213    HD1  PHE  31           2HD      PHE  31   3.015   3.207   4.058
  214    HD2  PHE  31           1HD      PHE  31   4.449   1.599   0.398
  215    HE1  PHE  31           2HE      PHE  31   5.254   2.973   5.048
  216    HE2  PHE  31           1HE      PHE  31   6.685   1.344   1.381
  217    HZ   PHE  31           HZ       PHE  31   7.095   2.036   3.708
  218    H    THR  32           H        THR  32   3.551   5.474   1.648
  219    HA   THR  32           HA       THR  32   3.102   5.732   4.477
  220    HB   THR  32           HB       THR  32   5.290   5.193   3.461
  221    HG1  THR  32           1HG      THR  32   5.434   7.653   4.921
  222   HG21  THR  32          3HG2      THR  32   5.277   6.661   1.549
  223   HG22  THR  32          1HG2      THR  32   6.667   7.036   2.566
  224   HG23  THR  32          2HG2      THR  32   5.248   8.087   2.590
  225    H    LYS  33           H        LYS  33   2.549   7.624   1.622
  226    HA   LYS  33           HA       LYS  33   2.195  10.073   3.130
  227    HB2  LYS  33           2HB      LYS  33   1.988  11.169   1.094
  228    HB3  LYS  33           1HB      LYS  33   3.136   9.903   0.764
  229    HG2  LYS  33           2HG      LYS  33   1.859   9.731  -1.066
  230    HG3  LYS  33           1HG      LYS  33   0.951   8.647  -0.016
  231    HD2  LYS  33           2HD      LYS  33  -0.482  10.259  -1.265
  232    HD3  LYS  33           1HD      LYS  33  -0.648  10.368   0.486
  233    HE2  LYS  33           2HE      LYS  33  -0.531  12.562  -0.739
  234    HE3  LYS  33           1HE      LYS  33   0.618  12.367   0.577
  235    HZ1  LYS  33           3HZ      LYS  33   2.337  11.856  -1.038
  236    HZ2  LYS  33           1HZ      LYS  33   1.640  13.356  -1.379
  237    HZ3  LYS  33           2HZ      LYS  33   1.233  12.009  -2.309
  238    H    VAL  34           H        VAL  34   0.175   7.572   1.665
  239    HA   VAL  34           HA       VAL  34  -2.243   9.038   2.094
  240    HB   VAL  34           HB       VAL  34  -3.354   7.063   1.298
  241   HG11  VAL  34          1HG1      VAL  34  -2.376   8.538  -0.362
  242   HG12  VAL  34          2HG1      VAL  34  -2.354   6.862  -0.913
  243   HG13  VAL  34          3HG1      VAL  34  -0.878   7.608  -0.305
  244   HG21  VAL  34          3HG2      VAL  34  -2.065   5.358   2.440
  245   HG22  VAL  34          1HG2      VAL  34  -0.685   5.696   1.395
  246   HG23  VAL  34          2HG2      VAL  34  -2.162   5.016   0.713
  247    H    GLY  35           H        GLY  35  -0.209   7.344   4.115
  248    HA2  GLY  35           2HA      GLY  35  -0.485   7.070   6.408
  249    HA3  GLY  35           1HA      GLY  35  -2.200   7.391   6.214
  250    H    LEU  36           H        LEU  36  -0.993   5.042   4.052
  251    HA   LEU  36           HA       LEU  36  -2.563   3.014   5.405
  252    HB2  LEU  36           2HB      LEU  36  -2.467   3.419   2.871
  253    HB3  LEU  36           1HB      LEU  36  -0.906   2.624   2.923
  254    HG   LEU  36           HG       LEU  36  -2.013   0.603   3.862
  255   HD11  LEU  36          1HD1      LEU  36  -3.949   1.703   4.861
  256   HD12  LEU  36          2HD1      LEU  36  -4.445   0.434   3.745
  257   HD13  LEU  36          3HD1      LEU  36  -4.546   2.125   3.257
  258   HD21  LEU  36          3HD2      LEU  36  -3.041  -0.102   1.764
  259   HD22  LEU  36          1HD2      LEU  36  -1.550   0.790   1.472
  260   HD23  LEU  36          2HD2      LEU  36  -3.109   1.576   1.226
  261    H    ALA  37           H        ALA  37   0.292   4.157   6.062
  262    HA   ALA  37           HA       ALA  37   1.504   1.583   6.716
  263    HB1  ALA  37           1HB      ALA  37   2.853   3.520   5.860
  264    HB2  ALA  37           2HB      ALA  37   3.422   2.835   7.384
  265    HB3  ALA  37           3HB      ALA  37   2.515   4.347   7.380
  266    H    ALA  38           H        ALA  38  -0.558   3.979   8.038
  267    HA   ALA  38           HA       ALA  38  -0.038   3.086  10.794
  268    HB1  ALA  38           1HB      ALA  38  -1.196   5.121  11.496
  269    HB2  ALA  38           2HB      ALA  38  -1.494   5.536   9.809
  270    HB3  ALA  38           3HB      ALA  38   0.156   5.489  10.427
  271    H    LYS  39           H        LYS  39  -1.859   2.158   8.389
  272    HA   LYS  39           HA       LYS  39  -4.519   2.123   9.154
  273    HB2  LYS  39           2HB      LYS  39  -4.371  -0.250   7.924
  274    HB3  LYS  39           1HB      LYS  39  -4.292   1.276   7.046
  275    HG2  LYS  39           2HG      LYS  39  -2.602  -0.317   6.297
  276    HG3  LYS  39           1HG      LYS  39  -1.875   1.140   6.969
  277    HD2  LYS  39           2HD      LYS  39  -1.700  -0.175   9.162
  278    HD3  LYS  39           1HD      LYS  39  -2.055  -1.605   8.193
  279    HE2  LYS  39           2HE      LYS  39   0.159   0.299   7.512
  280    HE3  LYS  39           1HE      LYS  39   0.397  -1.064   8.612
  281    HZ1  LYS  39           3HZ      LYS  39  -0.364  -1.159   5.750
  282    HZ2  LYS  39           1HZ      LYS  39  -0.419  -2.509   6.772
  283    HZ3  LYS  39           2HZ      LYS  39   1.054  -1.745   6.460
  284    H    SER  40           H        SER  40  -5.826   0.439  10.037
  285    HA   SER  40           HA       SER  40  -4.497  -1.189  12.077
  286    HB2  SER  40           2HB      SER  40  -7.455  -0.757  11.545
  287    HB3  SER  40           1HB      SER  40  -6.758  -1.572  12.944
  288    HG   SER  40           HG       SER  40  -5.934   0.348  13.661
  289    HA   PRO  41           HA       PRO  41  -4.513  -5.072   9.996
  290    HB2  PRO  41           2HB      PRO  41  -6.676  -5.945  11.874
  291    HB3  PRO  41           1HB      PRO  41  -5.206  -6.796  11.384
  292    HG2  PRO  41           2HG      PRO  41  -5.320  -5.565  13.731
  293    HG3  PRO  41           1HG      PRO  41  -3.845  -5.505  12.750
  294    HD2  PRO  41           2HD      PRO  41  -5.862  -3.385  13.263
  295    HD3  PRO  41           1HD      PRO  41  -4.127  -3.238  12.922
  296    H    ALA  42           H        ALA  42  -7.849  -4.139  10.876
  297    HA   ALA  42           HA       ALA  42  -9.115  -5.625   8.848
  298    HB1  ALA  42           1HB      ALA  42 -11.104  -4.340   9.367
  299    HB2  ALA  42           2HB      ALA  42 -10.134  -3.152  10.237
  300    HB3  ALA  42           3HB      ALA  42 -10.268  -4.800  10.850
  301    H    ASP  43           H        ASP  43  -7.641  -2.464   8.813
  302    HA   ASP  43           HA       ASP  43  -8.963  -1.502   6.475
  303    HB2  ASP  43           2HB      ASP  43  -6.305  -0.656   7.652
  304    HB3  ASP  43           1HB      ASP  43  -7.189   0.212   6.406
  305    H    ILE  44           H        ILE  44  -5.912  -3.127   7.132
  306    HA   ILE  44           HA       ILE  44  -5.031  -3.093   4.430
  307    HB   ILE  44           HB       ILE  44  -4.136  -4.525   6.902
  308   HG12  ILE  44          2HG1      ILE  44  -3.556  -2.172   6.588
  309   HG13  ILE  44          1HG1      ILE  44  -2.127  -3.197   6.577
  310   HG21  ILE  44          1HG2      ILE  44  -3.794  -6.136   5.076
  311   HG22  ILE  44          2HG2      ILE  44  -2.259  -5.508   5.682
  312   HG23  ILE  44          3HG2      ILE  44  -2.920  -4.905   4.163
  313   HD11  ILE  44          3HD1      ILE  44  -2.166  -3.091   4.088
  314   HD12  ILE  44          1HD1      ILE  44  -1.871  -1.545   4.887
  315   HD13  ILE  44          2HD1      ILE  44  -3.462  -1.903   4.218
  316    H    LYS  45           H        LYS  45  -7.143  -5.160   6.247
  317    HA   LYS  45           HA       LYS  45  -7.112  -7.391   4.508
  318    HB2  LYS  45           2HB      LYS  45  -9.337  -6.342   6.266
  319    HB3  LYS  45           1HB      LYS  45  -9.355  -7.898   5.455
  320    HG2  LYS  45           2HG      LYS  45  -7.407  -7.015   7.571
  321    HG3  LYS  45           1HG      LYS  45  -8.739  -8.149   7.781
  322    HD2  LYS  45           2HD      LYS  45  -6.578  -8.661   5.762
  323    HD3  LYS  45           1HD      LYS  45  -6.350  -9.072   7.457
  324    HE2  LYS  45           2HE      LYS  45  -7.108 -11.014   6.273
  325    HE3  LYS  45           1HE      LYS  45  -8.388 -10.473   7.351
  326    HZ1  LYS  45           3HZ      LYS  45  -8.282  -9.833   4.456
  327    HZ2  LYS  45           1HZ      LYS  45  -9.574  -9.562   5.515
  328    HZ3  LYS  45           2HZ      LYS  45  -9.138 -11.139   5.099
  329    H    LYS  46           H        LYS  46  -9.173  -4.464   4.566
  330    HA   LYS  46           HA       LYS  46 -10.511  -5.218   2.166
  331    HB2  LYS  46           2HB      LYS  46 -11.479  -3.013   2.155
  332    HB3  LYS  46           1HB      LYS  46 -11.499  -3.640   3.788
  333    HG2  LYS  46           2HG      LYS  46 -10.869  -1.480   4.154
  334    HG3  LYS  46           1HG      LYS  46  -9.295  -2.266   4.041
  335    HD2  LYS  46           2HD      LYS  46  -9.420  -0.138   2.772
  336    HD3  LYS  46           1HD      LYS  46  -9.039  -1.528   1.754
  337    HE2  LYS  46           2HE      LYS  46 -11.247  -1.612   0.890
  338    HE3  LYS  46           1HE      LYS  46 -11.842  -0.483   2.104
  339    HZ1  LYS  46           3HZ      LYS  46 -10.611   1.273   1.076
  340    HZ2  LYS  46           1HZ      LYS  46 -11.549   0.511  -0.105
  341    HZ3  LYS  46           2HZ      LYS  46  -9.889   0.209  -0.022
  342    H    VAL  47           H        VAL  47  -7.493  -3.766   2.886
  343    HA   VAL  47           HA       VAL  47  -6.961  -2.718   0.307
  344    HB   VAL  47           HB       VAL  47  -5.078  -3.605   2.492
  345   HG11  VAL  47          1HG1      VAL  47  -3.327  -2.410   1.272
  346   HG12  VAL  47          2HG1      VAL  47  -4.452  -2.109  -0.053
  347   HG13  VAL  47          3HG1      VAL  47  -3.956  -3.759   0.326
  348   HG21  VAL  47          3HG2      VAL  47  -5.921  -0.865   1.552
  349   HG22  VAL  47          1HG2      VAL  47  -4.809  -1.219   2.871
  350   HG23  VAL  47          2HG2      VAL  47  -6.509  -1.672   3.005
  351    H    PHE  48           H        PHE  48  -6.498  -5.903   1.806
  352    HA   PHE  48           HA       PHE  48  -5.277  -7.245  -0.289
  353    HB2  PHE  48           2HB      PHE  48  -5.628  -8.944   1.134
  354    HB3  PHE  48           1HB      PHE  48  -6.802  -7.990   2.026
  355    HD1  PHE  48           2HD      PHE  48  -6.562 -10.107  -1.061
  356    HD2  PHE  48           1HD      PHE  48  -8.969  -8.760   2.180
  357    HE1  PHE  48           2HE      PHE  48  -8.344 -11.651  -1.748
  358    HE2  PHE  48           1HE      PHE  48 -10.753 -10.305   1.495
  359    HZ   PHE  48           HZ       PHE  48 -10.445 -11.752  -0.470
  360    H    GLU  49           H        GLU  49  -8.670  -6.408   0.149
  361    HA   GLU  49           HA       GLU  49  -9.618  -7.580  -2.230
  362    HB2  GLU  49           2HB      GLU  49 -10.716  -5.125  -0.856
  363    HB3  GLU  49           1HB      GLU  49 -11.582  -6.193  -1.952
  364    HG2  GLU  49           2HG      GLU  49 -11.249  -8.031  -0.304
  365    HG3  GLU  49           1HG      GLU  49 -10.581  -6.837   0.807
  366    H    ILE  50           H        ILE  50  -7.937  -4.601  -1.619
  367    HA   ILE  50           HA       ILE  50  -8.621  -3.319  -4.063
  368    HB   ILE  50           HB       ILE  50  -6.167  -2.799  -2.388
  369   HG12  ILE  50          2HG1      ILE  50  -8.884  -1.477  -2.256
  370   HG13  ILE  50          1HG1      ILE  50  -8.289  -2.647  -1.084
  371   HG21  ILE  50          1HG2      ILE  50  -6.262  -1.884  -4.727
  372   HG22  ILE  50          2HG2      ILE  50  -6.109  -0.674  -3.457
  373   HG23  ILE  50          3HG2      ILE  50  -7.669  -0.948  -4.230
  374   HD11  ILE  50          3HD1      ILE  50  -7.192   0.094  -1.648
  375   HD12  ILE  50          1HD1      ILE  50  -6.401  -1.093  -0.609
  376   HD13  ILE  50          2HD1      ILE  50  -7.994  -0.466  -0.180
  377    H    ILE  51           H        ILE  51  -5.571  -5.068  -3.113
  378    HA   ILE  51           HA       ILE  51  -4.436  -4.682  -5.678
  379    HB   ILE  51           HB       ILE  51  -2.932  -6.715  -5.152
  380   HG12  ILE  51          2HG1      ILE  51  -4.647  -7.327  -3.167
  381   HG13  ILE  51          1HG1      ILE  51  -2.931  -7.702  -3.087
  382   HG21  ILE  51          1HG2      ILE  51  -1.513  -5.363  -3.709
  383   HG22  ILE  51          2HG2      ILE  51  -2.853  -4.248  -3.434
  384   HG23  ILE  51          3HG2      ILE  51  -2.188  -4.445  -5.055
  385   HD11  ILE  51          3HD1      ILE  51  -4.353  -5.399  -1.777
  386   HD12  ILE  51          1HD1      ILE  51  -2.599  -5.585  -1.821
  387   HD13  ILE  51          2HD1      ILE  51  -3.589  -6.786  -1.000
  388    H    ASP  52           H        ASP  52  -6.454  -7.196  -4.290
  389    HA   ASP  52           HA       ASP  52  -6.296  -8.736  -6.725
  390    HB2  ASP  52           2HB      ASP  52  -6.752  -9.640  -4.295
  391    HB3  ASP  52           1HB      ASP  52  -8.416  -9.220  -4.664
  392    H    GLN  53           H        GLN  53  -7.002  -6.788  -7.988
  393    HA   GLN  53           HA       GLN  53  -9.452  -5.538  -7.825
  394    HB2  GLN  53           2HB      GLN  53  -7.755  -4.794  -9.380
  395    HB3  GLN  53           1HB      GLN  53  -7.879  -6.289 -10.294
  396    HG2  GLN  53           2HG      GLN  53  -8.997  -4.509 -11.468
  397    HG3  GLN  53           1HG      GLN  53 -10.176  -5.699 -10.923
  398   HE21  GLN  53          1HE2      GLN  53  -9.012  -2.456 -10.590
  399   HE22  GLN  53          2HE2      GLN  53 -10.321  -1.873  -9.624
  400    H    ASP  54           H        ASP  54  -8.676  -8.561  -9.450
  401    HA   ASP  54           HA       ASP  54 -11.401  -8.973 -10.317
  402    HB2  ASP  54           2HB      ASP  54 -10.645 -10.871 -11.446
  403    HB3  ASP  54           1HB      ASP  54  -9.250  -9.802 -11.484
  404    H    LYS  55           H        LYS  55  -9.587  -9.764  -7.476
  405    HA   LYS  55           HA       LYS  55 -10.189 -10.720  -5.520
  406    HB2  LYS  55           2HB      LYS  55 -11.941  -9.103  -5.537
  407    HB3  LYS  55           1HB      LYS  55 -12.941 -10.097  -6.589
  408    HG2  LYS  55           2HG      LYS  55 -13.800 -10.205  -4.350
  409    HG3  LYS  55           1HG      LYS  55 -13.107 -11.773  -4.767
  410    HD2  LYS  55           2HD      LYS  55 -12.363 -11.364  -2.588
  411    HD3  LYS  55           1HD      LYS  55 -10.986 -10.937  -3.602
  412    HE2  LYS  55           2HE      LYS  55 -11.311  -9.275  -1.865
  413    HE3  LYS  55           1HE      LYS  55 -11.620  -8.574  -3.452
  414    HZ1  LYS  55           3HZ      LYS  55 -13.924  -8.597  -3.080
  415    HZ2  LYS  55           1HZ      LYS  55 -13.266  -8.020  -1.631
  416    HZ3  LYS  55           2HZ      LYS  55 -13.798  -9.620  -1.743
  417    H    SER  56           H        SER  56  -9.236 -12.665  -6.599
  418    HA   SER  56           HA       SER  56 -11.189 -14.860  -6.426
  419    HB2  SER  56           2HB      SER  56  -8.820 -14.822  -8.305
  420    HB3  SER  56           1HB      SER  56 -10.060 -16.067  -8.190
  421    HG   SER  56           HG       SER  56 -10.084 -13.726  -9.579
  422    H    ASP  57           H        ASP  57  -9.147 -13.495  -4.643
  423    HA   ASP  57           HA       ASP  57  -7.958 -14.111  -2.813
  424    HB2  ASP  57           2HB      ASP  57  -9.460 -16.069  -2.662
  425    HB3  ASP  57           1HB      ASP  57  -8.382 -16.967  -3.722
  426    H    PHE  58           H        PHE  58  -7.061 -14.616  -5.932
  427    HA   PHE  58           HA       PHE  58  -4.231 -14.844  -5.150
  428    HB2  PHE  58           2HB      PHE  58  -5.522 -15.666  -7.765
  429    HB3  PHE  58           1HB      PHE  58  -3.789 -15.663  -7.458
  430    HD1  PHE  58           2HD      PHE  58  -3.268 -16.948  -5.078
  431    HD2  PHE  58           1HD      PHE  58  -6.468 -17.735  -7.772
  432    HE1  PHE  58           2HE      PHE  58  -3.418 -19.250  -4.224
  433    HE2  PHE  58           1HE      PHE  58  -6.621 -20.038  -6.924
  434    HZ   PHE  58           HZ       PHE  58  -5.094 -20.796  -5.150
  435    H    VAL  59           H        VAL  59  -2.911 -13.182  -5.823
  436    HA   VAL  59           HA       VAL  59  -4.267 -11.026  -7.320
  437    HB   VAL  59           HB       VAL  59  -2.279 -10.537  -5.136
  438   HG11  VAL  59          1HG1      VAL  59  -2.448  -8.668  -6.461
  439   HG12  VAL  59          2HG1      VAL  59  -3.558  -8.361  -5.122
  440   HG13  VAL  59          3HG1      VAL  59  -4.184  -8.873  -6.686
  441   HG21  VAL  59          3HG2      VAL  59  -4.054 -11.691  -4.041
  442   HG22  VAL  59          1HG2      VAL  59  -5.262 -10.745  -4.904
  443   HG23  VAL  59          2HG2      VAL  59  -4.234  -9.972  -3.699
  444    H    GLU  60           H        GLU  60  -3.230 -11.628  -9.283
  445    HA   GLU  60           HA       GLU  60  -0.322 -11.748  -9.279
  446    HB2  GLU  60           2HB      GLU  60  -2.358 -12.275 -11.438
  447    HB3  GLU  60           1HB      GLU  60  -0.624 -12.310 -11.720
  448    HG2  GLU  60           2HG      GLU  60  -0.514 -14.019  -9.842
  449    HG3  GLU  60           1HG      GLU  60  -2.267 -14.127  -9.993
  450    H    GLU  61           H        GLU  61   0.477 -10.762 -11.647
  451    HA   GLU  61           HA       GLU  61   0.779  -8.042 -11.036
  452    HB2  GLU  61           2HB      GLU  61   2.416  -9.356 -12.335
  453    HB3  GLU  61           1HB      GLU  61   1.284  -9.406 -13.681
  454    HG2  GLU  61           2HG      GLU  61   1.334  -6.943 -13.759
  455    HG3  GLU  61           1HG      GLU  61   2.573  -6.960 -12.505
  456    H    ASP  62           H        ASP  62  -1.362  -9.672 -13.304
  457    HA   ASP  62           HA       ASP  62  -2.304  -7.480 -14.732
  458    HB2  ASP  62           2HB      ASP  62  -3.546 -10.096 -13.967
  459    HB3  ASP  62           1HB      ASP  62  -4.494  -8.885 -14.831
  460    H    GLU  63           H        GLU  63  -3.370  -8.760 -11.617
  461    HA   GLU  63           HA       GLU  63  -5.477  -6.907 -11.275
  462    HB2  GLU  63           2HB      GLU  63  -3.931  -8.622  -9.350
  463    HB3  GLU  63           1HB      GLU  63  -5.167  -7.496  -8.799
  464    HG2  GLU  63           2HG      GLU  63  -6.534  -9.237  -9.049
  465    HG3  GLU  63           1HG      GLU  63  -6.508  -8.784 -10.751
  466    H    LEU  64           H        LEU  64  -2.075  -6.878 -10.349
  467    HA   LEU  64           HA       LEU  64  -2.195  -4.506  -8.818
  468    HB2  LEU  64           2HB      LEU  64  -0.043  -6.152 -10.012
  469    HB3  LEU  64           1HB      LEU  64   0.360  -4.490  -9.624
  470    HG   LEU  64           HG       LEU  64   0.950  -6.061  -7.817
  471   HD11  LEU  64          1HD1      LEU  64  -1.258  -4.145  -7.078
  472   HD12  LEU  64          2HD1      LEU  64   0.432  -3.711  -7.331
  473   HD13  LEU  64          3HD1      LEU  64  -0.014  -4.779  -5.999
  474   HD21  LEU  64          3HD2      LEU  64  -0.834  -7.080  -6.482
  475   HD22  LEU  64          1HD2      LEU  64  -0.827  -7.692  -8.136
  476   HD23  LEU  64          2HD2      LEU  64  -2.027  -6.498  -7.641
  477    H    LYS  65           H        LYS  65  -2.227  -5.076 -12.177
  478    HA   LYS  65           HA       LYS  65  -1.315  -2.530 -13.015
  479    HB2  LYS  65           2HB      LYS  65  -2.376  -4.908 -14.229
  480    HB3  LYS  65           1HB      LYS  65  -3.213  -3.506 -14.878
  481    HG2  LYS  65           2HG      LYS  65  -1.292  -4.144 -16.240
  482    HG3  LYS  65           1HG      LYS  65  -1.109  -2.527 -15.561
  483    HD2  LYS  65           2HD      LYS  65   0.463  -3.268 -13.966
  484    HD3  LYS  65           1HD      LYS  65   0.092  -4.969 -14.274
  485    HE2  LYS  65           2HE      LYS  65   1.000  -4.742 -16.540
  486    HE3  LYS  65           1HE      LYS  65   1.383  -3.052 -16.218
  487    HZ1  LYS  65           3HZ      LYS  65   2.867  -3.826 -14.423
  488    HZ2  LYS  65           1HZ      LYS  65   3.338  -4.381 -15.951
  489    HZ3  LYS  65           2HZ      LYS  65   2.558  -5.429 -14.882
  490    H    LEU  66           H        LEU  66  -4.548  -3.875 -12.435
  491    HA   LEU  66           HA       LEU  66  -5.658  -1.182 -12.799
  492    HB2  LEU  66           2HB      LEU  66  -7.111  -3.819 -12.777
  493    HB3  LEU  66           1HB      LEU  66  -7.776  -2.252 -13.217
  494    HG   LEU  66           HG       LEU  66  -5.686  -3.826 -14.710
  495   HD11  LEU  66          1HD1      LEU  66  -8.448  -2.915 -15.489
  496   HD12  LEU  66          2HD1      LEU  66  -7.970  -4.563 -15.074
  497   HD13  LEU  66          3HD1      LEU  66  -7.312  -3.792 -16.518
  498   HD21  LEU  66          3HD2      LEU  66  -6.706  -1.052 -15.305
  499   HD22  LEU  66          1HD2      LEU  66  -5.581  -1.987 -16.289
  500   HD23  LEU  66          2HD2      LEU  66  -5.101  -1.440 -14.678
  501    H    PHE  67           H        PHE  67  -4.546  -2.882 -10.302
  502    HA   PHE  67           HA       PHE  67  -6.691  -2.864  -8.468
  503    HB2  PHE  67           2HB      PHE  67  -5.211  -3.614  -6.929
  504    HB3  PHE  67           1HB      PHE  67  -4.209  -3.885  -8.341
  505    HD1  PHE  67           2HD      PHE  67  -2.429  -2.177  -8.888
  506    HD2  PHE  67           1HD      PHE  67  -4.534  -2.202  -5.200
  507    HE1  PHE  67           2HE      PHE  67  -0.654  -0.816  -7.868
  508    HE2  PHE  67           1HE      PHE  67  -2.766  -0.843  -4.169
  509    HZ   PHE  67           HZ       PHE  67  -0.820  -0.147  -5.504
  510    H    LEU  68           H        LEU  68  -4.618  -0.413  -9.703
  511    HA   LEU  68           HA       LEU  68  -4.962   1.622  -7.805
  512    HB2  LEU  68           2HB      LEU  68  -4.758   1.929 -10.807
  513    HB3  LEU  68           1HB      LEU  68  -4.489   3.192  -9.631
  514    HG   LEU  68           HG       LEU  68  -2.374   2.535 -10.436
  515   HD11  LEU  68          1HD1      LEU  68  -1.246   1.681  -8.438
  516   HD12  LEU  68          2HD1      LEU  68  -2.811   1.262  -7.744
  517   HD13  LEU  68          3HD1      LEU  68  -2.411   2.953  -8.063
  518   HD21  LEU  68          3HD2      LEU  68  -2.942  -0.324  -9.706
  519   HD22  LEU  68          1HD2      LEU  68  -1.559   0.314 -10.587
  520   HD23  LEU  68          2HD2      LEU  68  -3.161   0.321 -11.335
  521    H    GLN  69           H        GLN  69  -6.861   0.650 -10.591
  522    HA   GLN  69           HA       GLN  69  -8.833   2.670 -10.392
  523    HB2  GLN  69           2HB      GLN  69  -8.935  -0.080 -11.651
  524    HB3  GLN  69           1HB      GLN  69 -10.157   1.165 -11.872
  525    HG2  GLN  69           2HG      GLN  69  -8.534   2.609 -12.943
  526    HG3  GLN  69           1HG      GLN  69  -7.262   1.420 -12.654
  527   HE21  GLN  69          1HE2      GLN  69  -6.852   1.356 -14.885
  528   HE22  GLN  69          2HE2      GLN  69  -7.885   0.479 -15.964
  529    H    ASN  70           H        ASN  70  -8.190  -0.185  -8.645
  530    HA   ASN  70           HA       ASN  70 -10.879  -0.413  -7.534
  531    HB2  ASN  70           2HB      ASN  70  -9.285  -2.372  -7.875
  532    HB3  ASN  70           1HB      ASN  70  -8.351  -1.736  -6.528
  533   HD21  ASN  70          1HD2      ASN  70  -9.616  -4.271  -6.740
  534   HD22  ASN  70          2HD2      ASN  70 -10.764  -4.389  -5.458
  535    H    PHE  71           H        PHE  71  -7.733   0.856  -6.655
  536    HA   PHE  71           HA       PHE  71  -8.154   1.224  -3.909
  537    HB2  PHE  71           2HB      PHE  71  -5.988   1.385  -5.428
  538    HB3  PHE  71           1HB      PHE  71  -6.388   3.098  -5.430
  539    HD1  PHE  71           2HD      PHE  71  -6.908   4.081  -3.010
  540    HD2  PHE  71           1HD      PHE  71  -4.582   0.606  -3.800
  541    HE1  PHE  71           2HE      PHE  71  -5.807   4.322  -0.823
  542    HE2  PHE  71           1HE      PHE  71  -3.483   0.839  -1.614
  543    HZ   PHE  71           HZ       PHE  71  -4.096   2.701  -0.123
  544    H    SER  72           H        SER  72  -8.492   3.530  -6.608
  545    HA   SER  72           HA       SER  72 -10.242   5.126  -4.874
  546    HB2  SER  72           2HB      SER  72  -9.227   7.181  -5.938
  547    HB3  SER  72           1HB      SER  72  -8.157   6.299  -4.849
  548    HG   SER  72           HG       SER  72  -7.195   6.921  -6.889
  549    H    ALA  73           H        ALA  73 -10.934   7.109  -6.685
  550    HA   ALA  73           HA       ALA  73 -12.759   5.647  -8.352
  551    HB1  ALA  73           1HB      ALA  73 -13.441   7.701  -7.205
  552    HB2  ALA  73           2HB      ALA  73 -13.652   7.832  -8.951
  553    HB3  ALA  73           3HB      ALA  73 -12.284   8.619  -8.168
  554    H    GLY  74           H        GLY  74  -9.979   7.760  -8.889
  555    HA2  GLY  74           2HA      GLY  74  -9.688   6.596 -11.563
  556    HA3  GLY  74           1HA      GLY  74  -9.766   8.345 -11.416
  557    H    ALA  75           H        ALA  75  -7.823   5.541 -11.071
  558    HA   ALA  75           HA       ALA  75  -5.563   7.225 -10.224
  559    HB1  ALA  75           1HB      ALA  75  -4.626   5.258  -9.093
  560    HB2  ALA  75           2HB      ALA  75  -6.086   4.350  -9.497
  561    HB3  ALA  75           3HB      ALA  75  -6.183   5.743  -8.420
  562    H    ARG  76           H        ARG  76  -3.456   6.422 -10.917
  563    HA   ARG  76           HA       ARG  76  -3.580   5.716 -13.715
  564    HB2  ARG  76           2HB      ARG  76  -1.260   6.602 -11.995
  565    HB3  ARG  76           1HB      ARG  76  -1.211   6.395 -13.741
  566    HG2  ARG  76           2HG      ARG  76  -2.723   8.197 -14.085
  567    HG3  ARG  76           1HG      ARG  76  -3.064   8.315 -12.359
  568    HD2  ARG  76           2HD      ARG  76  -0.810   9.048 -11.919
  569    HD3  ARG  76           1HD      ARG  76  -0.363   8.803 -13.609
  570    HE   ARG  76           HE       ARG  76  -2.473  10.556 -13.664
  571   HH11  ARG  76          1HH1      ARG  76   0.700  10.520 -12.194
  572   HH12  ARG  76          2HH1      ARG  76   0.888  12.246 -12.262
  573   HH21  ARG  76          1HH2      ARG  76  -2.246  12.808 -13.739
  574   HH22  ARG  76          2HH2      ARG  76  -0.800  13.553 -13.136
  575    H    ALA  77           H        ALA  77  -3.189   3.730 -14.450
  576    HA   ALA  77           HA       ALA  77  -2.492   1.564 -12.801
  577    HB1  ALA  77           1HB      ALA  77  -3.736   1.254 -14.868
  578    HB2  ALA  77           2HB      ALA  77  -2.262   0.281 -14.880
  579    HB3  ALA  77           3HB      ALA  77  -2.338   1.783 -15.804
  580    H    LEU  78           H        LEU  78  -0.607   0.775 -12.164
  581    HA   LEU  78           HA       LEU  78   1.840   2.118 -12.959
  582    HB2  LEU  78           2HB      LEU  78   1.663  -0.240 -11.104
  583    HB3  LEU  78           1HB      LEU  78   2.871   1.028 -11.143
  584    HG   LEU  78           HG       LEU  78   0.013   1.386 -10.239
  585   HD11  LEU  78          1HD1      LEU  78   1.277  -0.008  -8.706
  586   HD12  LEU  78          2HD1      LEU  78   0.974   1.581  -8.001
  587   HD13  LEU  78          3HD1      LEU  78   2.567   1.195  -8.655
  588   HD21  LEU  78          3HD2      LEU  78   0.793   3.564  -9.426
  589   HD22  LEU  78          1HD2      LEU  78   0.933   3.431 -11.179
  590   HD23  LEU  78          2HD2      LEU  78   2.367   3.267 -10.163
  591    H    SER  79           H        SER  79   3.161   1.354 -14.506
  592    HA   SER  79           HA       SER  79   2.973  -1.496 -15.211
  593    HB2  SER  79           2HB      SER  79   3.245   0.787 -17.179
  594    HB3  SER  79           1HB      SER  79   3.134  -0.928 -17.574
  595    HG   SER  79           HG       SER  79   1.160   0.782 -17.302
  596    H    ASP  80           H        ASP  80   4.901  -1.843 -16.955
  597    HA   ASP  80           HA       ASP  80   7.128  -2.051 -17.306
  598    HB2  ASP  80           2HB      ASP  80   7.217   0.688 -16.023
  599    HB3  ASP  80           1HB      ASP  80   8.595  -0.090 -16.794
  600    H    ALA  81           H        ALA  81   9.164  -0.854 -15.417
  601    HA   ALA  81           HA       ALA  81   9.460  -3.229 -13.926
  602    HB1  ALA  81           1HB      ALA  81  10.952  -0.644 -13.542
  603    HB2  ALA  81           2HB      ALA  81  11.347  -1.865 -14.750
  604    HB3  ALA  81           3HB      ALA  81  11.466  -2.253 -13.035
  605    H    GLU  82           H        GLU  82   7.727  -0.389 -13.275
  606    HA   GLU  82           HA       GLU  82   8.013  -0.132 -10.496
  607    HB2  GLU  82           2HB      GLU  82   5.420   0.439 -11.893
  608    HB3  GLU  82           1HB      GLU  82   6.169   1.307 -10.561
  609    HG2  GLU  82           2HG      GLU  82   7.032   1.298 -13.429
  610    HG3  GLU  82           1HG      GLU  82   6.270   2.627 -12.554
  611    H    THR  83           H        THR  83   5.540  -1.749 -12.460
  612    HA   THR  83           HA       THR  83   4.140  -2.889 -10.306
  613    HB   THR  83           HB       THR  83   4.332  -4.503 -12.789
  614    HG1  THR  83           1HG      THR  83   2.801  -2.110 -12.813
  615   HG21  THR  83          3HG2      THR  83   1.902  -4.611 -12.473
  616   HG22  THR  83          1HG2      THR  83   2.033  -3.489 -11.118
  617   HG23  THR  83          2HG2      THR  83   2.770  -5.091 -11.013
  618    H    LYS  84           H        LYS  84   6.956  -3.982 -12.116
  619    HA   LYS  84           HA       LYS  84   7.043  -6.605 -11.123
  620    HB2  LYS  84           2HB      LYS  84   8.348  -6.213 -13.010
  621    HB3  LYS  84           1HB      LYS  84   9.087  -4.772 -12.329
  622    HG2  LYS  84           2HG      LYS  84  10.372  -6.140 -10.787
  623    HG3  LYS  84           1HG      LYS  84   9.607  -7.596 -11.422
  624    HD2  LYS  84           2HD      LYS  84  11.044  -5.754 -13.284
  625    HD3  LYS  84           1HD      LYS  84  11.972  -6.859 -12.271
  626    HE2  LYS  84           2HE      LYS  84  11.612  -7.912 -14.388
  627    HE3  LYS  84           1HE      LYS  84  10.622  -8.736 -13.190
  628    HZ1  LYS  84           3HZ      LYS  84   9.464  -8.333 -15.296
  629    HZ2  LYS  84           1HZ      LYS  84   9.623  -6.666 -15.069
  630    HZ3  LYS  84           2HZ      LYS  84   8.692  -7.584 -13.994
  631    H    VAL  85           H        VAL  85   8.900  -3.739 -10.049
  632    HA   VAL  85           HA       VAL  85  10.118  -5.160  -7.907
  633    HB   VAL  85           HB       VAL  85  11.207  -3.225  -8.910
  634   HG11  VAL  85          1HG1      VAL  85  10.435  -0.946  -8.445
  635   HG12  VAL  85          2HG1      VAL  85   8.980  -1.603  -7.694
  636   HG13  VAL  85          3HG1      VAL  85   9.279  -1.861  -9.414
  637   HG21  VAL  85          3HG2      VAL  85  10.553  -2.786  -6.000
  638   HG22  VAL  85          1HG2      VAL  85  11.917  -2.081  -6.867
  639   HG23  VAL  85          2HG2      VAL  85  11.825  -3.828  -6.640
  640    H    PHE  86           H        PHE  86   7.238  -3.170  -8.166
  641    HA   PHE  86           HA       PHE  86   6.796  -3.044  -5.336
  642    HB2  PHE  86           2HB      PHE  86   5.948  -1.261  -6.683
  643    HB3  PHE  86           1HB      PHE  86   5.064  -2.364  -7.723
  644    HD1  PHE  86           1HD      PHE  86   5.280  -1.442  -4.111
  645    HD2  PHE  86           2HD      PHE  86   2.795  -2.497  -7.399
  646    HE1  PHE  86           1HE      PHE  86   3.289  -1.087  -2.714
  647    HE2  PHE  86           2HE      PHE  86   0.798  -2.147  -6.004
  648    HZ   PHE  86           HZ       PHE  86   1.046  -1.440  -3.660
  649    H    LEU  87           H        LEU  87   5.795  -5.144  -7.957
  650    HA   LEU  87           HA       LEU  87   3.897  -6.670  -6.487
  651    HB2  LEU  87           2HB      LEU  87   4.164  -6.624  -8.997
  652    HB3  LEU  87           1HB      LEU  87   5.611  -7.588  -8.797
  653    HG   LEU  87           HG       LEU  87   4.121  -9.324  -7.676
  654   HD11  LEU  87          1HD1      LEU  87   2.231  -7.620  -7.416
  655   HD12  LEU  87          2HD1      LEU  87   1.802  -9.241  -7.958
  656   HD13  LEU  87          3HD1      LEU  87   1.904  -7.915  -9.123
  657   HD21  LEU  87          3HD2      LEU  87   3.659  -8.671 -10.582
  658   HD22  LEU  87          1HD2      LEU  87   3.434 -10.246  -9.820
  659   HD23  LEU  87          2HD2      LEU  87   5.047  -9.543  -9.935
  660    H    LYS  88           H        LYS  88   7.352  -7.028  -7.177
  661    HA   LYS  88           HA       LYS  88   7.636  -9.445  -5.738
  662    HB2  LYS  88           2HB      LYS  88   9.498  -7.496  -6.982
  663    HB3  LYS  88           1HB      LYS  88  10.156  -8.599  -5.777
  664    HG2  LYS  88           2HG      LYS  88   8.535  -9.588  -8.094
  665    HG3  LYS  88           1HG      LYS  88  10.279  -9.325  -8.206
  666    HD2  LYS  88           2HD      LYS  88  10.645 -10.842  -6.344
  667    HD3  LYS  88           1HD      LYS  88   8.910 -11.079  -6.169
  668    HE2  LYS  88           2HE      LYS  88  10.401 -11.734  -8.696
  669    HE3  LYS  88           1HE      LYS  88  10.161 -12.899  -7.395
  670    HZ1  LYS  88           3HZ      LYS  88   8.486 -13.084  -9.147
  671    HZ2  LYS  88           1HZ      LYS  88   7.978 -11.503  -8.845
  672    HZ3  LYS  88           2HZ      LYS  88   7.788 -12.694  -7.654
  673    H    ALA  89           H        ALA  89   7.460  -6.184  -4.736
  674    HA   ALA  89           HA       ALA  89   8.762  -6.467  -2.237
  675    HB1  ALA  89           1HB      ALA  89   6.514  -4.601  -2.990
  676    HB2  ALA  89           2HB      ALA  89   8.234  -4.275  -3.197
  677    HB3  ALA  89           3HB      ALA  89   7.559  -4.451  -1.579
  678    H    GLY  90           H        GLY  90   5.644  -7.381  -3.450
  679    HA2  GLY  90           2HA      GLY  90   4.873  -8.315  -0.756
  680    HA3  GLY  90           1HA      GLY  90   3.737  -7.951  -2.047
  681    H    ASP  91           H        ASP  91   6.246  -9.379  -3.523
  682    HA   ASP  91           HA       ASP  91   5.132 -12.069  -3.202
  683    HB2  ASP  91           2HB      ASP  91   5.308 -11.113  -5.517
  684    HB3  ASP  91           1HB      ASP  91   7.056 -11.105  -5.320
  685    H    SER  92           H        SER  92   6.218 -12.413  -1.144
  686    HA   SER  92           HA       SER  92   9.125 -12.081  -1.144
  687    HB2  SER  92           2HB      SER  92   7.246 -12.757   1.131
  688    HB3  SER  92           1HB      SER  92   8.965 -12.393   1.283
  689    HG   SER  92           HG       SER  92   7.410 -10.521  -0.056
  690    H    ASP  93           H        ASP  93   6.665 -14.515  -1.163
  691    HA   ASP  93           HA       ASP  93   8.613 -16.627  -0.660
  692    HB2  ASP  93           2HB      ASP  93   6.771 -18.178  -0.749
  693    HB3  ASP  93           1HB      ASP  93   6.309 -16.814   0.259
  694    H    GLY  94           H        GLY  94   7.705 -14.772  -3.219
  695    HA2  GLY  94           2HA      GLY  94   8.528 -14.776  -5.358
  696    HA3  GLY  94           1HA      GLY  94   9.421 -16.231  -4.951
  697    H    ASP  95           H        ASP  95   5.908 -15.619  -5.028
  698    HA   ASP  95           HA       ASP  95   5.762 -17.860  -6.922
  699    HB2  ASP  95           2HB      ASP  95   3.634 -18.474  -6.053
  700    HB3  ASP  95           1HB      ASP  95   4.721 -18.265  -4.691
  701    H    GLY  96           H        GLY  96   5.811 -14.681  -7.064
  702    HA2  GLY  96           2HA      GLY  96   5.592 -13.551  -9.085
  703    HA3  GLY  96           1HA      GLY  96   4.638 -14.883  -9.704
  704    H    LYS  97           H        LYS  97   3.842 -13.155  -6.742
  705    HA   LYS  97           HA       LYS  97   1.809 -11.549  -7.988
  706    HB2  LYS  97           2HB      LYS  97  -0.095 -12.675  -6.958
  707    HB3  LYS  97           1HB      LYS  97   0.745 -13.766  -8.054
  708    HG2  LYS  97           2HG      LYS  97   1.798 -14.887  -6.216
  709    HG3  LYS  97           1HG      LYS  97   1.125 -13.728  -5.065
  710    HD2  LYS  97           2HD      LYS  97  -0.190 -15.751  -5.012
  711    HD3  LYS  97           1HD      LYS  97  -1.152 -14.472  -5.756
  712    HE2  LYS  97           2HE      LYS  97  -1.346 -16.633  -6.938
  713    HE3  LYS  97           1HE      LYS  97  -0.694 -15.351  -7.958
  714    HZ1  LYS  97           3HZ      LYS  97   1.124 -17.166  -6.504
  715    HZ2  LYS  97           1HZ      LYS  97   1.411 -16.280  -7.919
  716    HZ3  LYS  97           2HZ      LYS  97   0.427 -17.654  -7.970
  717    H    ILE  98           H        ILE  98   0.316 -10.673  -6.163
  718    HA   ILE  98           HA       ILE  98   1.993  -9.992  -3.880
  719    HB   ILE  98           HB       ILE  98  -0.672  -8.939  -4.823
  720   HG12  ILE  98          2HG1      ILE  98   1.310  -8.094  -5.973
  721   HG13  ILE  98          1HG1      ILE  98   0.553  -6.832  -5.019
  722   HG21  ILE  98          1HG2      ILE  98   0.789  -8.331  -2.255
  723   HG22  ILE  98          2HG2      ILE  98  -0.823  -9.029  -2.432
  724   HG23  ILE  98          3HG2      ILE  98  -0.530  -7.354  -2.906
  725   HD11  ILE  98          3HD1      ILE  98   2.903  -6.640  -4.771
  726   HD12  ILE  98          1HD1      ILE  98   3.056  -8.349  -4.367
  727   HD13  ILE  98          2HD1      ILE  98   2.246  -7.248  -3.254
  728    H    GLY  99           H        GLY  99   1.976 -11.413  -2.262
  729    HA2  GLY  99           2HA      GLY  99  -0.360 -12.888  -1.498
  730    HA3  GLY  99           1HA      GLY  99   1.098 -12.665  -0.528
  731    H    VAL 100           H        VAL 100  -1.909 -12.308   0.018
  732    HA   VAL 100           HA       VAL 100  -2.522  -9.619   0.177
  733    HB   VAL 100           HB       VAL 100  -4.189 -10.402   1.882
  734   HG11  VAL 100          1HG1      VAL 100  -5.523 -11.551   0.213
  735   HG12  VAL 100          2HG1      VAL 100  -4.066 -11.937  -0.704
  736   HG13  VAL 100          3HG1      VAL 100  -4.596 -10.258  -0.559
  737   HG21  VAL 100          3HG2      VAL 100  -4.516 -12.795   2.164
  738   HG22  VAL 100          1HG2      VAL 100  -2.947 -12.294   2.794
  739   HG23  VAL 100          2HG2      VAL 100  -3.054 -13.107   1.234
  740    H    ASP 101           H        ASP 101  -1.225 -11.781   2.656
  741    HA   ASP 101           HA       ASP 101  -0.935  -9.629   4.542
  742    HB2  ASP 101           2HB      ASP 101  -1.479 -11.973   5.179
  743    HB3  ASP 101           1HB      ASP 101   0.138 -12.452   4.663
  744    H    GLU 102           H        GLU 102   0.960 -11.249   2.142
  745    HA   GLU 102           HA       GLU 102   3.521 -10.313   2.862
  746    HB2  GLU 102           2HB      GLU 102   2.433 -10.817   0.075
  747    HB3  GLU 102           1HB      GLU 102   4.131 -10.685   0.512
  748    HG2  GLU 102           2HG      GLU 102   3.789 -12.698   1.998
  749    HG3  GLU 102           1HG      GLU 102   2.212 -12.882   1.235
  750    H    PHE 103           H        PHE 103   0.832  -8.871   1.143
  751    HA   PHE 103           HA       PHE 103   2.168  -6.563   0.189
  752    HB2  PHE 103           2HB      PHE 103  -0.072  -7.424  -0.606
  753    HB3  PHE 103           1HB      PHE 103  -0.766  -6.796   0.885
  754    HD1  PHE 103           2HD      PHE 103   0.970  -5.845  -2.225
  755    HD2  PHE 103           1HD      PHE 103  -1.311  -4.510   1.104
  756    HE1  PHE 103           2HE      PHE 103   0.697  -3.653  -3.300
  757    HE2  PHE 103           1HE      PHE 103  -1.596  -2.314   0.029
  758    HZ   PHE 103           HZ       PHE 103  -0.589  -1.882  -2.172
  759    H    GLY 104           H        GLY 104   0.084  -7.112   3.028
  760    HA2  GLY 104           2HA      GLY 104   0.349  -4.611   4.227
  761    HA3  GLY 104           1HA      GLY 104   0.125  -6.117   5.109
  762    H    ALA 105           H        ALA 105   2.481  -7.401   4.342
  763    HA   ALA 105           HA       ALA 105   4.302  -6.400   6.249
  764    HB1  ALA 105           1HB      ALA 105   5.760  -8.198   5.515
  765    HB2  ALA 105           2HB      ALA 105   4.755  -8.448   4.087
  766    HB3  ALA 105           3HB      ALA 105   4.100  -8.769   5.693
  767    H    MET 106           H        MET 106   4.030  -5.854   2.778
  768    HA   MET 106           HA       MET 106   6.723  -4.842   2.550
  769    HB2  MET 106           2HB      MET 106   6.333  -4.532   0.314
  770    HB3  MET 106           1HB      MET 106   5.111  -5.750   0.645
  771    HG2  MET 106           2HG      MET 106   3.374  -4.200   0.575
  772    HG3  MET 106           1HG      MET 106   4.458  -2.833   0.803
  773    HE1  MET 106           3HE      MET 106   2.768  -5.260  -1.672
  774    HE2  MET 106           1HE      MET 106   4.407  -5.912  -1.723
  775    HE3  MET 106           2HE      MET 106   3.738  -5.100  -3.138
  776    H    ILE 107           H        ILE 107   3.616  -3.619   3.357
  777    HA   ILE 107           HA       ILE 107   4.233  -0.848   2.915
  778    HB   ILE 107           HB       ILE 107   1.968  -2.203   4.395
  779   HG12  ILE 107          2HG1      ILE 107   2.070  -0.872   1.679
  780   HG13  ILE 107          1HG1      ILE 107   2.002  -2.608   1.970
  781   HG21  ILE 107          1HG2      ILE 107   2.337   0.015   5.294
  782   HG22  ILE 107          2HG2      ILE 107   0.844  -0.039   4.355
  783   HG23  ILE 107          3HG2      ILE 107   2.294   0.700   3.669
  784   HD11  ILE 107          3HD1      ILE 107  -0.167  -1.713   1.346
  785   HD12  ILE 107          1HD1      ILE 107  -0.121  -0.618   2.726
  786   HD13  ILE 107          2HD1      ILE 107  -0.191  -2.360   2.986
  787    H    LYS 108           H        LYS 108   4.065  -3.088   5.580
  788    HA   LYS 108           HA       LYS 108   4.829  -1.113   7.530
  789    HB2  LYS 108           2HB      LYS 108   3.444  -2.702   8.450
  790    HB3  LYS 108           1HB      LYS 108   4.154  -4.017   7.529
  791    HG2  LYS 108           2HG      LYS 108   5.786  -2.705   9.645
  792    HG3  LYS 108           1HG      LYS 108   4.508  -3.831  10.113
  793    HD2  LYS 108           2HD      LYS 108   5.494  -5.558   8.707
  794    HD3  LYS 108           1HD      LYS 108   6.747  -4.433   8.181
  795    HE2  LYS 108           2HE      LYS 108   7.473  -4.235  10.547
  796    HE3  LYS 108           1HE      LYS 108   6.303  -5.488  10.964
  797    HZ1  LYS 108           3HZ      LYS 108   8.590  -6.316  10.619
  798    HZ2  LYS 108           1HZ      LYS 108   8.489  -5.852   8.992
  799    HZ3  LYS 108           2HZ      LYS 108   7.453  -7.046   9.603
  800    H    ALA 109           H        ALA 109   6.388  -3.496   5.533
  801    HA   ALA 109           HA       ALA 109   8.543  -4.024   5.108
  802    HB1  ALA 109           1HB      ALA 109  10.144  -2.223   5.087
  803    HB2  ALA 109           2HB      ALA 109   9.124  -1.257   6.151
  804    HB3  ALA 109           3HB      ALA 109   8.584  -1.632   4.514
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1 -14.170  11.849  -0.367
    2    H2   MET   1           2HT      MET   1 -13.026  12.881  -1.057
    3    H3   MET   1           3HT      MET   1 -13.220  11.310  -1.665
    4    HA   MET   1           HA       MET   1 -15.216  13.498  -1.775
    5    HB2  MET   1           2HB      MET   1 -13.448  13.886  -3.365
    6    HB3  MET   1           1HB      MET   1 -13.486  12.209  -3.893
    7    HG2  MET   1           2HG      MET   1 -14.543  13.590  -5.543
    8    HG3  MET   1           1HG      MET   1 -15.753  12.562  -4.780
    9    HE1  MET   1           2HE      MET   1 -14.360  16.151  -5.262
   10    HE2  MET   1           3HE      MET   1 -14.062  15.934  -3.538
   11    HE3  MET   1           1HE      MET   1 -15.273  17.094  -4.084
   12    H    ALA   2           H        ALA   2 -14.407  10.166  -2.784
   13    HA   ALA   2           HA       ALA   2 -17.316   9.659  -2.946
   14    HB1  ALA   2           1HB      ALA   2 -16.886   8.050  -4.711
   15    HB2  ALA   2           2HB      ALA   2 -15.154   8.362  -4.597
   16    HB3  ALA   2           3HB      ALA   2 -16.246   9.633  -5.152
   17    H    PHE   3           H        PHE   3 -14.909   9.175  -0.940
   18    HA   PHE   3           HA       PHE   3 -15.724   6.424  -0.321
   19    HB2  PHE   3           2HB      PHE   3 -12.983   7.659  -0.040
   20    HB3  PHE   3           1HB      PHE   3 -13.435   6.107   0.658
   21    HD1  PHE   3           1HD      PHE   3 -14.008   4.211  -0.817
   22    HD2  PHE   3           2HD      PHE   3 -12.490   7.876  -2.355
   23    HE1  PHE   3           1HE      PHE   3 -13.460   3.089  -2.936
   24    HE2  PHE   3           2HE      PHE   3 -11.940   6.761  -4.478
   25    HZ   PHE   3           HZ       PHE   3 -12.426   4.364  -4.770
   26    H    ALA   4           H        ALA   4 -15.441   5.844   1.973
   27    HA   ALA   4           HA       ALA   4 -16.875   7.802   3.510
   28    HB1  ALA   4           1HB      ALA   4 -17.491   5.420   3.487
   29    HB2  ALA   4           2HB      ALA   4 -17.184   6.023   5.115
   30    HB3  ALA   4           3HB      ALA   4 -15.971   5.038   4.296
   31    H    GLY   5           H        GLY   5 -14.194   8.627   3.028
   32    HA2  GLY   5           2HA      GLY   5 -12.628   9.798   4.248
   33    HA3  GLY   5           1HA      GLY   5 -13.473   9.317   5.711
   34    H    ILE   6           H        ILE   6 -13.084   6.425   4.560
   35    HA   ILE   6           HA       ILE   6 -10.914   5.618   6.072
   36    HB   ILE   6           HB       ILE   6 -12.343   4.410   3.738
   37   HG12  ILE   6          2HG1      ILE   6 -13.272   4.314   6.032
   38   HG13  ILE   6          1HG1      ILE   6 -12.950   2.719   5.364
   39   HG21  ILE   6          1HG2      ILE   6 -10.975   2.436   3.743
   40   HG22  ILE   6          2HG2      ILE   6  -9.950   3.093   5.020
   41   HG23  ILE   6          3HG2      ILE   6  -9.950   3.833   3.416
   42   HD11  ILE   6          3HD1      ILE   6 -12.276   2.767   7.662
   43   HD12  ILE   6          1HD1      ILE   6 -11.278   4.194   7.386
   44   HD13  ILE   6          2HD1      ILE   6 -10.836   2.654   6.651
   45    H    LEU   7           H        LEU   7 -11.015   6.417   2.620
   46    HA   LEU   7           HA       LEU   7  -8.307   7.408   2.942
   47    HB2  LEU   7           2HB      LEU   7  -7.503   6.534   0.855
   48    HB3  LEU   7           1HB      LEU   7  -8.022   5.219   1.880
   49    HG   LEU   7           HG       LEU   7  -8.625   4.630  -0.315
   50   HD11  LEU   7          1HD1      LEU   7 -11.040   4.469  -0.306
   51   HD12  LEU   7          2HD1      LEU   7 -11.123   5.679   0.973
   52   HD13  LEU   7          3HD1      LEU   7 -10.360   4.121   1.284
   53   HD21  LEU   7          3HD2      LEU   7  -9.884   7.343  -0.638
   54   HD22  LEU   7          1HD2      LEU   7  -9.960   6.031  -1.816
   55   HD23  LEU   7          2HD2      LEU   7  -8.408   6.764  -1.410
   56    H    ASN   8           H        ASN   8  -7.747   9.073   1.452
   57    HA   ASN   8           HA       ASN   8 -10.142  10.548   0.637
   58    HB2  ASN   8           2HB      ASN   8  -7.443  11.307   1.599
   59    HB3  ASN   8           1HB      ASN   8  -8.141  12.341   0.353
   60   HD21  ASN   8          1HD2      ASN   8  -8.580  11.058   3.569
   61   HD22  ASN   8          2HD2      ASN   8  -9.691  12.267   4.109
   62    H    ASP   9           H        ASP   9 -10.580  10.884  -1.424
   63    HA   ASP   9           HA       ASP   9  -9.225   9.702  -3.545
   64    HB2  ASP   9           2HB      ASP   9 -11.031  12.133  -3.530
   65    HB3  ASP   9           1HB      ASP   9 -10.496  11.312  -4.991
   66    H    ALA  10           H        ALA  10  -8.730  12.703  -1.894
   67    HA   ALA  10           HA       ALA  10  -6.994  13.884  -3.824
   68    HB1  ALA  10           1HB      ALA  10  -6.506  15.512  -2.078
   69    HB2  ALA  10           2HB      ALA  10  -7.299  14.485  -0.883
   70    HB3  ALA  10           3HB      ALA  10  -8.240  15.210  -2.185
   71    H    ASP  11           H        ASP  11  -6.432  12.039  -0.812
   72    HA   ASP  11           HA       ASP  11  -3.617  12.530  -0.869
   73    HB2  ASP  11           2HB      ASP  11  -3.520  11.509   1.190
   74    HB3  ASP  11           1HB      ASP  11  -5.225  11.930   1.132
   75    H    ILE  12           H        ILE  12  -5.641   9.762  -1.569
   76    HA   ILE  12           HA       ILE  12  -3.630   8.025  -2.448
   77    HB   ILE  12           HB       ILE  12  -6.539   8.203  -2.682
   78   HG12  ILE  12          2HG1      ILE  12  -6.378   5.800  -2.167
   79   HG13  ILE  12          1HG1      ILE  12  -4.633   5.874  -2.382
   80   HG21  ILE  12          1HG2      ILE  12  -6.763   6.538  -4.461
   81   HG22  ILE  12          2HG2      ILE  12  -5.031   6.641  -4.770
   82   HG23  ILE  12          3HG2      ILE  12  -6.061   8.042  -5.059
   83   HD11  ILE  12          3HD1      ILE  12  -4.415   7.306  -0.468
   84   HD12  ILE  12          1HD1      ILE  12  -5.336   5.869  -0.026
   85   HD13  ILE  12          2HD1      ILE  12  -6.167   7.402  -0.297
   86    H    THR  13           H        THR  13  -5.525  10.424  -4.286
   87    HA   THR  13           HA       THR  13  -4.361   9.893  -6.789
   88    HB   THR  13           HB       THR  13  -5.686  12.379  -5.706
   89    HG1  THR  13           1HG      THR  13  -7.248  10.940  -6.009
   90   HG21  THR  13          3HG2      THR  13  -5.851  13.190  -7.994
   91   HG22  THR  13          1HG2      THR  13  -4.913  11.813  -8.572
   92   HG23  THR  13          2HG2      THR  13  -4.159  13.017  -7.527
   93    H    ALA  14           H        ALA  14  -3.271  11.860  -4.089
   94    HA   ALA  14           HA       ALA  14  -1.288  13.335  -5.423
   95    HB1  ALA  14           1HB      ALA  14  -1.998  13.816  -3.124
   96    HB2  ALA  14           2HB      ALA  14  -0.248  13.622  -3.237
   97    HB3  ALA  14           3HB      ALA  14  -1.241  12.319  -2.580
   98    H    ALA  15           H        ALA  15  -1.036  10.251  -3.657
   99    HA   ALA  15           HA       ALA  15   1.652   9.738  -4.299
  100    HB1  ALA  15           1HB      ALA  15  -0.527   7.747  -3.684
  101    HB2  ALA  15           2HB      ALA  15   0.448   8.606  -2.491
  102    HB3  ALA  15           3HB      ALA  15   1.211   7.459  -3.591
  103    H    LEU  16           H        LEU  16  -1.341   8.971  -6.004
  104    HA   LEU  16           HA       LEU  16  -0.077   7.273  -7.927
  105    HB2  LEU  16           2HB      LEU  16  -2.778   8.615  -7.950
  106    HB3  LEU  16           1HB      LEU  16  -2.246   7.427  -9.124
  107    HG   LEU  16           HG       LEU  16  -2.456   6.878  -6.165
  108   HD11  LEU  16          1HD1      LEU  16  -4.656   7.367  -7.037
  109   HD12  LEU  16          2HD1      LEU  16  -4.497   5.635  -6.742
  110   HD13  LEU  16          3HD1      LEU  16  -4.392   6.263  -8.385
  111   HD21  LEU  16          3HD2      LEU  16  -2.332   4.538  -6.869
  112   HD22  LEU  16          1HD2      LEU  16  -0.890   5.433  -7.349
  113   HD23  LEU  16          2HD2      LEU  16  -2.131   5.051  -8.544
  114    H    ALA  17           H        ALA  17  -0.775  10.695  -7.742
  115    HA   ALA  17           HA       ALA  17  -0.142  11.246 -10.478
  116    HB1  ALA  17           1HB      ALA  17  -1.516  12.781  -9.154
  117    HB2  ALA  17           2HB      ALA  17  -0.084  13.590  -9.791
  118    HB3  ALA  17           3HB      ALA  17  -0.141  13.102  -8.096
  119    H    ALA  18           H        ALA  18   1.666  10.603  -7.642
  120    HA   ALA  18           HA       ALA  18   4.107  11.823  -8.482
  121    HB1  ALA  18           1HB      ALA  18   5.153  10.501  -6.716
  122    HB2  ALA  18           2HB      ALA  18   3.665   9.572  -6.523
  123    HB3  ALA  18           3HB      ALA  18   3.689  11.291  -6.133
  124    H    CYS  19           H        CYS  19   2.610   8.671  -8.861
  125    HA   CYS  19           HA       CYS  19   4.923   7.644 -10.293
  126    HB2  CYS  19           2HB      CYS  19   3.630   5.551 -10.453
  127    HB3  CYS  19           1HB      CYS  19   3.781   6.120  -8.796
  128    HG   CYS  19           HG       CYS  19   1.007   7.308 -10.111
  129    H    LYS  20           H        LYS  20   2.997   9.848 -11.227
  130    HA   LYS  20           HA       LYS  20   1.903   8.891 -13.674
  131    HB2  LYS  20           2HB      LYS  20   1.030  10.899 -12.651
  132    HB3  LYS  20           1HB      LYS  20   2.610  11.659 -12.692
  133    HG2  LYS  20           2HG      LYS  20   2.534  11.867 -15.057
  134    HG3  LYS  20           1HG      LYS  20   1.080  10.875 -15.153
  135    HD2  LYS  20           2HD      LYS  20   0.600  13.288 -15.388
  136    HD3  LYS  20           1HD      LYS  20  -0.200  12.566 -13.993
  137    HE2  LYS  20           2HE      LYS  20   0.690  14.696 -13.350
  138    HE3  LYS  20           1HE      LYS  20   1.627  13.436 -12.557
  139    HZ1  LYS  20           3HZ      LYS  20   3.353  13.716 -14.215
  140    HZ2  LYS  20           1HZ      LYS  20   3.034  15.189 -13.453
  141    HZ3  LYS  20           2HZ      LYS  20   2.444  14.897 -15.009
  142    H    ALA  21           H        ALA  21   5.007   9.712 -12.563
  143    HA   ALA  21           HA       ALA  21   6.112   9.619 -15.278
  144    HB1  ALA  21           1HB      ALA  21   7.453  10.352 -12.676
  145    HB2  ALA  21           2HB      ALA  21   6.872  11.491 -13.890
  146    HB3  ALA  21           3HB      ALA  21   8.199  10.395 -14.272
  147    H    GLU  22           H        GLU  22   7.625   8.019 -15.815
  148    HA   GLU  22           HA       GLU  22   7.224   5.521 -14.488
  149    HB2  GLU  22           2HB      GLU  22   9.151   6.280 -16.690
  150    HB3  GLU  22           1HB      GLU  22   8.821   4.636 -16.161
  151    HG2  GLU  22           2HG      GLU  22   6.486   4.887 -16.840
  152    HG3  GLU  22           1HG      GLU  22   6.824   6.532 -17.378
  153    H    GLY  23           H        GLY  23   8.563   4.391 -13.153
  154    HA2  GLY  23           2HA      GLY  23  10.408   3.968 -11.814
  155    HA3  GLY  23           1HA      GLY  23  11.243   5.312 -12.581
  156    H    SER  24           H        SER  24   8.091   5.941 -11.380
  157    HA   SER  24           HA       SER  24   9.344   7.462  -9.198
  158    HB2  SER  24           2HB      SER  24   7.055   8.309 -10.985
  159    HB3  SER  24           1HB      SER  24   7.655   9.228  -9.600
  160    HG   SER  24           HG       SER  24   9.205   8.468 -11.858
  161    H    PHE  25           H        PHE  25   7.419   4.857  -9.621
  162    HA   PHE  25           HA       PHE  25   5.574   5.504  -7.476
  163    HB2  PHE  25           2HB      PHE  25   5.144   3.756  -9.374
  164    HB3  PHE  25           1HB      PHE  25   6.119   2.691  -8.351
  165    HD1  PHE  25           2HD      PHE  25   5.376   2.207  -6.020
  166    HD2  PHE  25           1HD      PHE  25   2.887   4.216  -8.821
  167    HE1  PHE  25           2HE      PHE  25   3.413   1.722  -4.622
  168    HE2  PHE  25           1HE      PHE  25   0.922   3.739  -7.423
  169    HZ   PHE  25           HZ       PHE  25   1.184   2.489  -5.320
  170    H    ASP  26           H        ASP  26   6.840   6.004  -5.725
  171    HA   ASP  26           HA       ASP  26   8.636   3.977  -4.691
  172    HB2  ASP  26           2HB      ASP  26   7.663   6.548  -3.426
  173    HB3  ASP  26           1HB      ASP  26   8.910   5.500  -2.768
  174    H    HIS  27           H        HIS  27   7.411   2.196  -4.285
  175    HA   HIS  27           HA       HIS  27   4.948   1.919  -3.166
  176    HB2  HIS  27           2HB      HIS  27   5.517  -0.280  -2.569
  177    HB3  HIS  27           1HB      HIS  27   6.645   0.100  -3.860
  178    HD1  HIS  27           1HD      HIS  27   9.145   0.235  -3.258
  179    HD2  HIS  27           2HD      HIS  27   6.671  -0.637  -0.031
  180    HE1  HIS  27           1HE      HIS  27  10.673  -0.552  -1.423
  181    HE2  HIS  27           2HE      HIS  27   9.176  -0.868   0.576
  182    H    LYS  28           H        LYS  28   7.855   2.804  -1.551
  183    HA   LYS  28           HA       LYS  28   6.882   2.515   1.108
  184    HB2  LYS  28           2HB      LYS  28   9.264   2.455   0.313
  185    HB3  LYS  28           1HB      LYS  28   9.138   4.190   0.044
  186    HG2  LYS  28           2HG      LYS  28   8.781   4.588   2.397
  187    HG3  LYS  28           1HG      LYS  28   8.792   2.853   2.718
  188    HD2  LYS  28           2HD      LYS  28  11.102   2.703   2.001
  189    HD3  LYS  28           1HD      LYS  28  11.103   4.414   1.568
  190    HE2  LYS  28           2HE      LYS  28  10.635   3.341   4.346
  191    HE3  LYS  28           1HE      LYS  28  12.181   3.946   3.751
  192    HZ1  LYS  28           3HZ      LYS  28  11.041   5.651   4.980
  193    HZ2  LYS  28           1HZ      LYS  28   9.667   5.505   4.006
  194    HZ3  LYS  28           2HZ      LYS  28  11.109   6.098   3.353
  195    H    ALA  29           H        ALA  29   7.494   5.298  -1.029
  196    HA   ALA  29           HA       ALA  29   6.535   7.293   0.661
  197    HB1  ALA  29           1HB      ALA  29   7.782   7.664  -1.473
  198    HB2  ALA  29           2HB      ALA  29   6.372   8.699  -1.254
  199    HB3  ALA  29           3HB      ALA  29   6.284   7.311  -2.337
  200    H    PHE  30           H        PHE  30   4.876   5.108  -1.523
  201    HA   PHE  30           HA       PHE  30   2.335   6.273  -1.489
  202    HB2  PHE  30           2HB      PHE  30   3.002   4.442  -3.009
  203    HB3  PHE  30           1HB      PHE  30   3.047   3.332  -1.646
  204    HD1  PHE  30           1HD      PHE  30   0.839   5.394  -3.755
  205    HD2  PHE  30           2HD      PHE  30   1.069   2.329  -0.815
  206    HE1  PHE  30           1HE      PHE  30  -1.539   4.880  -4.115
  207    HE2  PHE  30           2HE      PHE  30  -1.309   1.808  -1.168
  208    HZ   PHE  30           HZ       PHE  30  -2.617   3.084  -2.819
  209    H    PHE  31           H        PHE  31   3.555   3.589   0.556
  210    HA   PHE  31           HA       PHE  31   1.198   3.405   2.086
  211    HB2  PHE  31           2HB      PHE  31   2.283   1.792   3.382
  212    HB3  PHE  31           1HB      PHE  31   3.044   1.677   1.823
  213    HD1  PHE  31           1HD      PHE  31   3.677   3.562   4.981
  214    HD2  PHE  31           2HD      PHE  31   5.222   1.207   1.807
  215    HE1  PHE  31           1HE      PHE  31   5.896   3.606   6.040
  216    HE2  PHE  31           2HE      PHE  31   7.450   1.260   2.845
  217    HZ   PHE  31           HZ       PHE  31   7.791   2.461   4.965
  218    H    THR  32           H        THR  32   4.008   5.340   2.400
  219    HA   THR  32           HA       THR  32   3.442   6.017   5.141
  220    HB   THR  32           HB       THR  32   5.702   5.505   4.113
  221    HG1  THR  32           1HG      THR  32   4.994   7.074   6.115
  222   HG21  THR  32          3HG2      THR  32   5.460   7.036   2.176
  223   HG22  THR  32          1HG2      THR  32   6.935   7.317   3.101
  224   HG23  THR  32          2HG2      THR  32   5.560   8.411   3.277
  225    H    LYS  33           H        LYS  33   2.772   7.271   2.029
  226    HA   LYS  33           HA       LYS  33   2.295   9.982   2.935
  227    HB2  LYS  33           2HB      LYS  33   3.170   9.389   0.663
  228    HB3  LYS  33           1HB      LYS  33   1.598   8.708   0.292
  229    HG2  LYS  33           2HG      LYS  33   0.552  10.841   0.419
  230    HG3  LYS  33           1HG      LYS  33   2.017  11.581   1.073
  231    HD2  LYS  33           2HD      LYS  33   1.814  10.309  -1.661
  232    HD3  LYS  33           1HD      LYS  33   1.669  12.042  -1.351
  233    HE2  LYS  33           2HE      LYS  33   3.931  12.070  -0.424
  234    HE3  LYS  33           1HE      LYS  33   4.077  10.338  -0.703
  235    HZ1  LYS  33           3HZ      LYS  33   3.899  10.725  -3.068
  236    HZ2  LYS  33           1HZ      LYS  33   5.170  11.637  -2.427
  237    HZ3  LYS  33           2HZ      LYS  33   3.706  12.385  -2.818
  238    H    VAL  34           H        VAL  34   0.337   7.249   1.730
  239    HA   VAL  34           HA       VAL  34  -2.137   8.599   2.125
  240    HB   VAL  34           HB       VAL  34  -3.140   6.512   1.508
  241   HG11  VAL  34          1HG1      VAL  34  -0.634   6.952  -0.084
  242   HG12  VAL  34          2HG1      VAL  34  -2.155   7.821  -0.284
  243   HG13  VAL  34          3HG1      VAL  34  -2.071   6.096  -0.642
  244   HG21  VAL  34          3HG2      VAL  34  -1.813   4.988   2.867
  245   HG22  VAL  34          1HG2      VAL  34  -0.433   5.242   1.800
  246   HG23  VAL  34          2HG2      VAL  34  -1.884   4.447   1.190
  247    H    GLY  35           H        GLY  35  -0.072   6.631   4.126
  248    HA2  GLY  35           2HA      GLY  35  -0.263   6.881   6.511
  249    HA3  GLY  35           1HA      GLY  35  -2.000   7.013   6.317
  250    H    LEU  36           H        LEU  36  -0.549   4.539   4.449
  251    HA   LEU  36           HA       LEU  36  -2.060   2.540   5.759
  252    HB2  LEU  36           2HB      LEU  36  -0.059   2.558   3.570
  253    HB3  LEU  36           1HB      LEU  36  -0.440   1.025   4.331
  254    HG   LEU  36           HG       LEU  36  -2.560   2.835   3.219
  255   HD11  LEU  36          1HD1      LEU  36  -2.549   1.391   1.230
  256   HD12  LEU  36          2HD1      LEU  36  -1.140   0.540   1.867
  257   HD13  LEU  36          3HD1      LEU  36  -1.014   2.241   1.414
  258   HD21  LEU  36          3HD2      LEU  36  -3.958   0.924   3.317
  259   HD22  LEU  36          1HD2      LEU  36  -3.149   1.041   4.876
  260   HD23  LEU  36          2HD2      LEU  36  -2.597  -0.134   3.685
  261    H    ALA  37           H        ALA  37   1.174   3.676   6.215
  262    HA   ALA  37           HA       ALA  37   2.229   1.433   7.563
  263    HB1  ALA  37           1HB      ALA  37   2.911   4.354   7.861
  264    HB2  ALA  37           2HB      ALA  37   3.644   3.218   6.733
  265    HB3  ALA  37           3HB      ALA  37   3.880   3.012   8.469
  266    H    ALA  38           H        ALA  38   0.007   3.909   8.505
  267    HA   ALA  38           HA       ALA  38   0.078   2.959  11.285
  268    HB1  ALA  38           1HB      ALA  38   0.378   5.374  10.995
  269    HB2  ALA  38           2HB      ALA  38  -1.112   5.005  11.865
  270    HB3  ALA  38           3HB      ALA  38  -1.176   5.464  10.164
  271    H    LYS  39           H        LYS  39  -1.570   2.478   8.430
  272    HA   LYS  39           HA       LYS  39  -4.252   2.447   9.255
  273    HB2  LYS  39           2HB      LYS  39  -2.755   1.131   7.031
  274    HB3  LYS  39           1HB      LYS  39  -4.442   0.717   7.321
  275    HG2  LYS  39           2HG      LYS  39  -3.414   3.509   6.839
  276    HG3  LYS  39           1HG      LYS  39  -4.149   2.473   5.613
  277    HD2  LYS  39           2HD      LYS  39  -6.150   2.312   7.164
  278    HD3  LYS  39           1HD      LYS  39  -5.418   3.633   8.078
  279    HE2  LYS  39           2HE      LYS  39  -5.653   5.137   6.318
  280    HE3  LYS  39           1HE      LYS  39  -5.860   3.853   5.125
  281    HZ1  LYS  39           3HZ      LYS  39  -7.804   4.508   7.267
  282    HZ2  LYS  39           1HZ      LYS  39  -8.000   3.332   6.057
  283    HZ3  LYS  39           2HZ      LYS  39  -7.946   4.980   5.650
  284    H    SER  40           H        SER  40  -5.591   0.882   9.940
  285    HA   SER  40           HA       SER  40  -4.509  -1.178  11.598
  286    HB2  SER  40           2HB      SER  40  -6.559   0.059  12.183
  287    HB3  SER  40           1HB      SER  40  -7.352  -0.563  10.739
  288    HG   SER  40           HG       SER  40  -6.792  -1.821  13.156
  289    HA   PRO  41           HA       PRO  41  -4.298  -4.623   8.779
  290    HB2  PRO  41           2HB      PRO  41  -5.724  -6.110  10.931
  291    HB3  PRO  41           1HB      PRO  41  -4.227  -6.516  10.084
  292    HG2  PRO  41           2HG      PRO  41  -4.163  -5.580  12.573
  293    HG3  PRO  41           1HG      PRO  41  -2.947  -5.083  11.380
  294    HD2  PRO  41           2HD      PRO  41  -5.300  -3.581  12.432
  295    HD3  PRO  41           1HD      PRO  41  -3.692  -2.987  11.975
  296    H    ALA  42           H        ALA  42  -7.295  -3.650  10.270
  297    HA   ALA  42           HA       ALA  42  -9.015  -5.260   8.645
  298    HB1  ALA  42           1HB      ALA  42  -9.714  -4.358  10.823
  299    HB2  ALA  42           2HB      ALA  42 -10.812  -3.887   9.528
  300    HB3  ALA  42           3HB      ALA  42  -9.643  -2.728  10.160
  301    H    ASP  43           H        ASP  43  -7.808  -1.944   8.496
  302    HA   ASP  43           HA       ASP  43  -9.244  -1.239   6.133
  303    HB2  ASP  43           2HB      ASP  43  -8.457   0.511   7.609
  304    HB3  ASP  43           1HB      ASP  43  -6.788  -0.026   7.425
  305    H    ILE  44           H        ILE  44  -5.911  -2.258   6.796
  306    HA   ILE  44           HA       ILE  44  -5.061  -2.400   4.133
  307    HB   ILE  44           HB       ILE  44  -4.138  -3.578   6.702
  308   HG12  ILE  44          2HG1      ILE  44  -2.712  -2.060   4.514
  309   HG13  ILE  44          1HG1      ILE  44  -3.509  -1.313   5.895
  310   HG21  ILE  44          1HG2      ILE  44  -3.075  -4.512   4.037
  311   HG22  ILE  44          2HG2      ILE  44  -3.915  -5.503   5.229
  312   HG23  ILE  44          3HG2      ILE  44  -2.329  -4.827   5.603
  313   HD11  ILE  44          3HD1      ILE  44  -1.945  -2.402   7.392
  314   HD12  ILE  44          1HD1      ILE  44  -1.097  -1.453   6.171
  315   HD13  ILE  44          2HD1      ILE  44  -1.178  -3.209   6.023
  316    H    LYS  45           H        LYS  45  -7.203  -4.428   5.924
  317    HA   LYS  45           HA       LYS  45  -6.993  -6.722   4.226
  318    HB2  LYS  45           2HB      LYS  45  -7.926  -6.586   6.640
  319    HB3  LYS  45           1HB      LYS  45  -9.420  -6.067   5.870
  320    HG2  LYS  45           2HG      LYS  45  -9.542  -8.417   6.257
  321    HG3  LYS  45           1HG      LYS  45  -9.382  -8.150   4.520
  322    HD2  LYS  45           2HD      LYS  45  -6.973  -8.621   4.686
  323    HD3  LYS  45           1HD      LYS  45  -7.161  -8.921   6.415
  324    HE2  LYS  45           2HE      LYS  45  -8.712 -10.756   5.905
  325    HE3  LYS  45           1HE      LYS  45  -8.473 -10.458   4.184
  326    HZ1  LYS  45           3HZ      LYS  45  -6.148 -11.017   4.428
  327    HZ2  LYS  45           1HZ      LYS  45  -7.103 -12.287   4.999
  328    HZ3  LYS  45           2HZ      LYS  45  -6.335 -11.249   6.090
  329    H    LYS  46           H        LYS  46  -9.147  -3.872   4.333
  330    HA   LYS  46           HA       LYS  46 -10.623  -4.779   2.049
  331    HB2  LYS  46           2HB      LYS  46 -11.579  -2.522   1.947
  332    HB3  LYS  46           1HB      LYS  46 -11.679  -3.196   3.560
  333    HG2  LYS  46           2HG      LYS  46 -11.027  -1.101   4.087
  334    HG3  LYS  46           1HG      LYS  46  -9.438  -1.830   3.877
  335    HD2  LYS  46           2HD      LYS  46  -9.493   0.304   2.756
  336    HD3  LYS  46           1HD      LYS  46  -9.403  -0.980   1.547
  337    HE2  LYS  46           2HE      LYS  46 -11.740  -0.764   1.058
  338    HE3  LYS  46           1HE      LYS  46 -11.976   0.335   2.413
  339    HZ1  LYS  46           3HZ      LYS  46 -10.529   1.931   1.276
  340    HZ2  LYS  46           1HZ      LYS  46 -11.900   1.555   0.363
  341    HZ3  LYS  46           2HZ      LYS  46 -10.402   0.887  -0.044
  342    H    VAL  47           H        VAL  47  -7.681  -3.054   2.590
  343    HA   VAL  47           HA       VAL  47  -7.258  -2.223  -0.078
  344    HB   VAL  47           HB       VAL  47  -5.197  -2.897   2.028
  345   HG11  VAL  47          1HG1      VAL  47  -4.196  -2.910  -0.177
  346   HG12  VAL  47          2HG1      VAL  47  -3.710  -1.448   0.683
  347   HG13  VAL  47          3HG1      VAL  47  -4.956  -1.365  -0.561
  348   HG21  VAL  47          3HG2      VAL  47  -6.759  -1.129   2.708
  349   HG22  VAL  47          1HG2      VAL  47  -6.390  -0.242   1.230
  350   HG23  VAL  47          2HG2      VAL  47  -5.134  -0.497   2.441
  351    H    PHE  48           H        PHE  48  -6.679  -5.258   1.639
  352    HA   PHE  48           HA       PHE  48  -5.403  -6.720  -0.342
  353    HB2  PHE  48           2HB      PHE  48  -5.670  -8.181   1.359
  354    HB3  PHE  48           1HB      PHE  48  -7.087  -7.338   1.967
  355    HD1  PHE  48           2HD      PHE  48  -6.126  -9.607  -0.861
  356    HD2  PHE  48           1HD      PHE  48  -9.086  -8.463   1.977
  357    HE1  PHE  48           2HE      PHE  48  -7.567 -11.447  -1.626
  358    HE2  PHE  48           1HE      PHE  48 -10.529 -10.302   1.214
  359    HZ   PHE  48           HZ       PHE  48  -9.770 -11.795  -0.591
  360    H    GLU  49           H        GLU  49  -8.864  -6.115   0.087
  361    HA   GLU  49           HA       GLU  49  -9.766  -7.440  -2.205
  362    HB2  GLU  49           2HB      GLU  49 -10.931  -4.952  -0.943
  363    HB3  GLU  49           1HB      GLU  49 -11.770  -6.051  -2.026
  364    HG2  GLU  49           2HG      GLU  49 -11.630  -7.824  -0.389
  365    HG3  GLU  49           1HG      GLU  49 -10.704  -6.780   0.691
  366    H    ILE  50           H        ILE  50  -8.142  -4.406  -1.823
  367    HA   ILE  50           HA       ILE  50  -8.857  -3.381  -4.396
  368    HB   ILE  50           HB       ILE  50  -6.500  -2.508  -2.733
  369   HG12  ILE  50          2HG1      ILE  50  -9.340  -1.458  -2.719
  370   HG13  ILE  50          1HG1      ILE  50  -8.633  -2.444  -1.444
  371   HG21  ILE  50          1HG2      ILE  50  -8.154  -0.890  -4.645
  372   HG22  ILE  50          2HG2      ILE  50  -6.770  -1.827  -5.185
  373   HG23  ILE  50          3HG2      ILE  50  -6.549  -0.535  -4.007
  374   HD11  ILE  50          3HD1      ILE  50  -6.930  -0.656  -1.118
  375   HD12  ILE  50          1HD1      ILE  50  -8.585  -0.170  -0.749
  376   HD13  ILE  50          2HD1      ILE  50  -7.834   0.334  -2.262
  377    H    ILE  51           H        ILE  51  -5.687  -4.752  -3.191
  378    HA   ILE  51           HA       ILE  51  -4.529  -4.713  -5.782
  379    HB   ILE  51           HB       ILE  51  -2.993  -6.646  -4.921
  380   HG12  ILE  51          2HG1      ILE  51  -4.779  -6.822  -2.863
  381   HG13  ILE  51          1HG1      ILE  51  -3.099  -7.336  -2.721
  382   HG21  ILE  51          1HG2      ILE  51  -2.903  -3.936  -3.595
  383   HG22  ILE  51          2HG2      ILE  51  -2.289  -4.341  -5.198
  384   HG23  ILE  51          3HG2      ILE  51  -1.557  -5.068  -3.764
  385   HD11  ILE  51          3HD1      ILE  51  -3.655  -6.029  -0.812
  386   HD12  ILE  51          1HD1      ILE  51  -4.304  -4.727  -1.813
  387   HD13  ILE  51          2HD1      ILE  51  -2.573  -5.070  -1.820
  388    H    ASP  52           H        ASP  52  -6.500  -7.028  -4.055
  389    HA   ASP  52           HA       ASP  52  -6.411  -8.899  -6.246
  390    HB2  ASP  52           2HB      ASP  52  -6.934  -9.342  -3.661
  391    HB3  ASP  52           1HB      ASP  52  -8.587  -9.017  -4.193
  392    H    GLN  53           H        GLN  53  -7.063  -7.188  -7.839
  393    HA   GLN  53           HA       GLN  53  -9.449  -5.770  -7.808
  394    HB2  GLN  53           2HB      GLN  53  -7.818  -5.292  -9.491
  395    HB3  GLN  53           1HB      GLN  53  -7.871  -6.937 -10.104
  396    HG2  GLN  53           2HG      GLN  53  -9.001  -5.507 -11.643
  397    HG3  GLN  53           1HG      GLN  53 -10.192  -6.538 -10.857
  398   HE21  GLN  53          1HE2      GLN  53 -11.671  -5.620  -9.424
  399   HE22  GLN  53          2HE2      GLN  53 -11.940  -3.913  -9.352
  400    H    ASP  54           H        ASP  54  -8.787  -8.992  -8.971
  401    HA   ASP  54           HA       ASP  54 -11.562  -9.527  -9.657
  402    HB2  ASP  54           2HB      ASP  54  -9.176 -11.380  -9.587
  403    HB3  ASP  54           1HB      ASP  54 -10.756 -11.786 -10.241
  404    H    LYS  55           H        LYS  55  -9.759  -9.600  -6.850
  405    HA   LYS  55           HA       LYS  55  -9.878 -10.684  -4.849
  406    HB2  LYS  55           2HB      LYS  55 -12.111 -10.354  -3.776
  407    HB3  LYS  55           1HB      LYS  55 -11.393  -8.924  -4.495
  408    HG2  LYS  55           2HG      LYS  55 -12.859  -9.222  -6.458
  409    HG3  LYS  55           1HG      LYS  55 -13.623 -10.586  -5.637
  410    HD2  LYS  55           2HD      LYS  55 -14.350  -9.151  -3.843
  411    HD3  LYS  55           1HD      LYS  55 -13.473  -7.786  -4.541
  412    HE2  LYS  55           2HE      LYS  55 -15.864  -7.646  -5.032
  413    HE3  LYS  55           1HE      LYS  55 -14.924  -7.861  -6.507
  414    HZ1  LYS  55           3HZ      LYS  55 -16.381 -10.011  -5.066
  415    HZ2  LYS  55           1HZ      LYS  55 -15.498 -10.203  -6.496
  416    HZ3  LYS  55           2HZ      LYS  55 -16.896  -9.255  -6.489
  417    H    SER  56           H        SER  56  -9.412 -12.754  -6.088
  418    HA   SER  56           HA       SER  56 -11.446 -14.701  -5.252
  419    HB2  SER  56           2HB      SER  56 -10.633 -16.169  -7.117
  420    HB3  SER  56           1HB      SER  56 -11.448 -14.701  -7.658
  421    HG   SER  56           HG       SER  56  -9.442 -15.206  -8.759
  422    H    ASP  57           H        ASP  57  -9.225 -13.579  -3.810
  423    HA   ASP  57           HA       ASP  57  -7.940 -14.351  -2.103
  424    HB2  ASP  57           2HB      ASP  57  -8.212 -17.112  -3.306
  425    HB3  ASP  57           1HB      ASP  57  -7.528 -16.734  -1.731
  426    H    PHE  58           H        PHE  58  -7.170 -14.350  -5.294
  427    HA   PHE  58           HA       PHE  58  -4.317 -14.571  -4.634
  428    HB2  PHE  58           2HB      PHE  58  -5.641 -15.566  -7.166
  429    HB3  PHE  58           1HB      PHE  58  -3.899 -15.429  -6.941
  430    HD1  PHE  58           2HD      PHE  58  -2.817 -16.783  -5.104
  431    HD2  PHE  58           1HD      PHE  58  -6.800 -17.462  -6.439
  432    HE1  PHE  58           2HE      PHE  58  -2.761 -19.034  -4.113
  433    HE2  PHE  58           1HE      PHE  58  -6.751 -19.714  -5.449
  434    HZ   PHE  58           HZ       PHE  58  -4.729 -20.502  -4.285
  435    H    VAL  59           H        VAL  59  -3.094 -12.906  -5.303
  436    HA   VAL  59           HA       VAL  59  -4.487 -10.765  -6.780
  437    HB   VAL  59           HB       VAL  59  -2.354 -10.534  -4.671
  438   HG11  VAL  59          1HG1      VAL  59  -2.468  -8.250  -4.818
  439   HG12  VAL  59          2HG1      VAL  59  -3.917  -8.285  -5.823
  440   HG13  VAL  59          3HG1      VAL  59  -2.364  -8.802  -6.488
  441   HG21  VAL  59          3HG2      VAL  59  -5.279  -9.908  -4.545
  442   HG22  VAL  59          1HG2      VAL  59  -4.104  -9.521  -3.291
  443   HG23  VAL  59          2HG2      VAL  59  -4.445 -11.204  -3.692
  444    H    GLU  60           H        GLU  60  -3.697 -11.289  -8.851
  445    HA   GLU  60           HA       GLU  60  -0.816 -11.671  -9.150
  446    HB2  GLU  60           2HB      GLU  60  -3.059 -12.020 -11.138
  447    HB3  GLU  60           1HB      GLU  60  -1.366 -12.395 -11.439
  448    HG2  GLU  60           2HG      GLU  60  -1.410 -14.069  -9.669
  449    HG3  GLU  60           1HG      GLU  60  -3.098 -13.684  -9.339
  450    H    GLU  61           H        GLU  61   0.165 -10.694 -11.238
  451    HA   GLU  61           HA       GLU  61   0.357  -7.945 -10.861
  452    HB2  GLU  61           2HB      GLU  61   2.155  -9.121 -11.918
  453    HB3  GLU  61           1HB      GLU  61   1.113  -9.645 -13.234
  454    HG2  GLU  61           2HG      GLU  61   0.878  -7.302 -13.951
  455    HG3  GLU  61           1HG      GLU  61   1.986  -6.815 -12.672
  456    H    ASP  62           H        ASP  62  -1.456  -9.719 -13.339
  457    HA   ASP  62           HA       ASP  62  -2.252  -7.542 -14.885
  458    HB2  ASP  62           2HB      ASP  62  -4.037  -8.986 -15.739
  459    HB3  ASP  62           1HB      ASP  62  -2.514  -9.860 -15.631
  460    H    GLU  63           H        GLU  63  -3.406  -8.661 -11.830
  461    HA   GLU  63           HA       GLU  63  -5.813  -7.104 -11.834
  462    HB2  GLU  63           2HB      GLU  63  -4.244  -8.428  -9.629
  463    HB3  GLU  63           1HB      GLU  63  -5.768  -7.581  -9.373
  464    HG2  GLU  63           2HG      GLU  63  -6.850  -9.113 -10.949
  465    HG3  GLU  63           1HG      GLU  63  -5.330  -9.999 -11.099
  466    H    LEU  64           H        LEU  64  -2.571  -6.767 -10.476
  467    HA   LEU  64           HA       LEU  64  -3.041  -4.359  -9.135
  468    HB2  LEU  64           2HB      LEU  64  -0.622  -5.846  -9.932
  469    HB3  LEU  64           1HB      LEU  64  -0.435  -4.149  -9.518
  470    HG   LEU  64           HG       LEU  64  -1.995  -5.030  -7.469
  471   HD11  LEU  64          1HD1      LEU  64  -0.939  -7.097  -6.637
  472   HD12  LEU  64          2HD1      LEU  64  -0.144  -7.282  -8.198
  473   HD13  LEU  64          3HD1      LEU  64  -1.902  -7.333  -8.095
  474   HD21  LEU  64          3HD2      LEU  64   0.053  -4.935  -6.131
  475   HD22  LEU  64          1HD2      LEU  64  -0.072  -3.594  -7.271
  476   HD23  LEU  64          2HD2      LEU  64   1.008  -4.948  -7.613
  477    H    LYS  65           H        LYS  65  -2.659  -5.014 -12.453
  478    HA   LYS  65           HA       LYS  65  -1.816  -2.498 -13.323
  479    HB2  LYS  65           2HB      LYS  65  -3.642  -4.521 -14.600
  480    HB3  LYS  65           1HB      LYS  65  -3.161  -3.036 -15.409
  481    HG2  LYS  65           2HG      LYS  65  -1.408  -5.323 -14.559
  482    HG3  LYS  65           1HG      LYS  65  -1.745  -4.748 -16.194
  483    HD2  LYS  65           2HD      LYS  65  -0.712  -2.527 -15.406
  484    HD3  LYS  65           1HD      LYS  65  -0.080  -3.469 -14.055
  485    HE2  LYS  65           2HE      LYS  65   1.494  -3.202 -15.965
  486    HE3  LYS  65           1HE      LYS  65   1.171  -4.876 -15.507
  487    HZ1  LYS  65           3HZ      LYS  65   1.155  -4.498 -17.927
  488    HZ2  LYS  65           1HZ      LYS  65  -0.158  -3.451 -17.750
  489    HZ3  LYS  65           2HZ      LYS  65  -0.324  -5.088 -17.358
  490    H    LEU  66           H        LEU  66  -5.154  -3.702 -12.919
  491    HA   LEU  66           HA       LEU  66  -6.040  -0.908 -13.010
  492    HB2  LEU  66           2HB      LEU  66  -7.636  -3.440 -13.363
  493    HB3  LEU  66           1HB      LEU  66  -8.310  -1.821 -13.384
  494    HG   LEU  66           HG       LEU  66  -8.112  -2.194 -15.629
  495   HD11  LEU  66          1HD1      LEU  66  -6.837  -0.198 -15.156
  496   HD12  LEU  66          2HD1      LEU  66  -6.100  -1.074 -16.499
  497   HD13  LEU  66          3HD1      LEU  66  -5.378  -1.156 -14.888
  498   HD21  LEU  66          3HD2      LEU  66  -5.576  -3.741 -15.127
  499   HD22  LEU  66          1HD2      LEU  66  -6.346  -3.499 -16.695
  500   HD23  LEU  66          2HD2      LEU  66  -7.169  -4.428 -15.442
  501    H    PHE  67           H        PHE  67  -5.116  -2.950 -10.690
  502    HA   PHE  67           HA       PHE  67  -7.239  -2.954  -8.848
  503    HB2  PHE  67           2HB      PHE  67  -5.788  -3.888  -7.393
  504    HB3  PHE  67           1HB      PHE  67  -4.762  -4.018  -8.803
  505    HD1  PHE  67           2HD      PHE  67  -2.887  -2.372  -9.096
  506    HD2  PHE  67           1HD      PHE  67  -5.195  -2.568  -5.542
  507    HE1  PHE  67           2HE      PHE  67  -1.130  -1.148  -7.891
  508    HE2  PHE  67           1HE      PHE  67  -3.451  -1.340  -4.328
  509    HZ   PHE  67           HZ       PHE  67  -1.411  -0.628  -5.502
  510    H    LEU  68           H        LEU  68  -5.067  -0.487  -9.917
  511    HA   LEU  68           HA       LEU  68  -5.359   1.416  -7.864
  512    HB2  LEU  68           2HB      LEU  68  -4.994   1.912 -10.821
  513    HB3  LEU  68           1HB      LEU  68  -4.760   3.093  -9.557
  514    HG   LEU  68           HG       LEU  68  -2.611   2.458 -10.190
  515   HD11  LEU  68          1HD1      LEU  68  -2.873   2.512  -7.783
  516   HD12  LEU  68          2HD1      LEU  68  -1.679   1.301  -8.255
  517   HD13  LEU  68          3HD1      LEU  68  -3.300   0.800  -7.776
  518   HD21  LEU  68          3HD2      LEU  68  -3.376  -0.440  -9.971
  519   HD22  LEU  68          1HD2      LEU  68  -1.854   0.223 -10.558
  520   HD23  LEU  68          2HD2      LEU  68  -3.339   0.463 -11.487
  521    H    GLN  69           H        GLN  69  -7.237   0.777 -10.784
  522    HA   GLN  69           HA       GLN  69  -9.078   2.925 -10.348
  523    HB2  GLN  69           2HB      GLN  69  -9.333   0.457 -12.084
  524    HB3  GLN  69           1HB      GLN  69 -10.402   1.853 -12.138
  525    HG2  GLN  69           2HG      GLN  69  -8.443   3.252 -12.760
  526    HG3  GLN  69           1HG      GLN  69  -7.481   1.775 -12.851
  527   HE21  GLN  69          1HE2      GLN  69  -7.064   2.118 -15.040
  528   HE22  GLN  69          2HE2      GLN  69  -8.270   1.851 -16.250
  529    H    ASN  70           H        ASN  70  -8.588  -0.099  -9.003
  530    HA   ASN  70           HA       ASN  70 -11.320  -0.383  -8.012
  531    HB2  ASN  70           2HB      ASN  70  -9.927  -2.366  -8.655
  532    HB3  ASN  70           1HB      ASN  70  -8.839  -1.981  -7.328
  533   HD21  ASN  70          1HD2      ASN  70  -9.186  -3.908  -6.306
  534   HD22  ASN  70          2HD2      ASN  70 -10.670  -4.290  -5.504
  535    H    PHE  71           H        PHE  71  -8.370   1.090  -7.197
  536    HA   PHE  71           HA       PHE  71  -8.870   1.270  -4.345
  537    HB2  PHE  71           2HB      PHE  71  -6.568   1.210  -5.681
  538    HB3  PHE  71           1HB      PHE  71  -6.829   2.945  -5.761
  539    HD1  PHE  71           2HD      PHE  71  -7.917   3.593  -3.139
  540    HD2  PHE  71           1HD      PHE  71  -4.862   0.831  -4.209
  541    HE1  PHE  71           2HE      PHE  71  -6.929   3.815  -0.896
  542    HE2  PHE  71           1HE      PHE  71  -3.874   1.049  -1.968
  543    HZ   PHE  71           HZ       PHE  71  -4.907   2.542  -0.308
  544    H    SER  72           H        SER  72  -8.879   3.334  -7.204
  545    HA   SER  72           HA       SER  72 -10.783   5.142  -5.990
  546    HB2  SER  72           2HB      SER  72  -9.286   7.131  -6.591
  547    HB3  SER  72           1HB      SER  72  -8.826   6.208  -5.161
  548    HG   SER  72           HG       SER  72  -7.493   4.984  -6.829
  549    H    ALA  73           H        ALA  73 -11.189   7.022  -7.716
  550    HA   ALA  73           HA       ALA  73 -11.733   5.585 -10.184
  551    HB1  ALA  73           1HB      ALA  73 -13.515   6.891  -9.113
  552    HB2  ALA  73           2HB      ALA  73 -13.171   7.455 -10.748
  553    HB3  ALA  73           3HB      ALA  73 -12.572   8.360  -9.358
  554    H    GLY  74           H        GLY  74  -9.997   8.496  -9.139
  555    HA2  GLY  74           2HA      GLY  74  -9.063   8.937 -11.876
  556    HA3  GLY  74           1HA      GLY  74  -8.851  10.033 -10.519
  557    H    ALA  75           H        ALA  75  -7.990   6.657 -11.217
  558    HA   ALA  75           HA       ALA  75  -5.365   7.195 -10.018
  559    HB1  ALA  75           1HB      ALA  75  -5.234   4.871  -9.496
  560    HB2  ALA  75           2HB      ALA  75  -6.691   4.525 -10.428
  561    HB3  ALA  75           3HB      ALA  75  -6.794   5.478  -8.946
  562    H    ARG  76           H        ARG  76  -3.569   5.820 -10.895
  563    HA   ARG  76           HA       ARG  76  -3.693   5.787 -13.820
  564    HB2  ARG  76           2HB      ARG  76  -1.253   6.216 -12.095
  565    HB3  ARG  76           1HB      ARG  76  -1.335   6.347 -13.844
  566    HG2  ARG  76           2HG      ARG  76  -2.653   8.155 -11.834
  567    HG3  ARG  76           1HG      ARG  76  -1.275   8.537 -12.866
  568    HD2  ARG  76           2HD      ARG  76  -4.074   7.909 -13.785
  569    HD3  ARG  76           1HD      ARG  76  -3.312   9.494 -13.763
  570    HE   ARG  76           HE       ARG  76  -1.631   8.027 -15.290
  571   HH11  ARG  76          1HH1      ARG  76  -5.082   8.583 -15.390
  572   HH12  ARG  76          2HH1      ARG  76  -5.185   8.416 -17.112
  573   HH21  ARG  76          1HH2      ARG  76  -1.760   7.809 -17.549
  574   HH22  ARG  76          2HH2      ARG  76  -3.292   7.982 -18.345
  575    H    ALA  77           H        ALA  77  -2.929   3.981 -14.895
  576    HA   ALA  77           HA       ALA  77  -2.692   1.574 -13.346
  577    HB1  ALA  77           1HB      ALA  77  -3.807   1.453 -15.480
  578    HB2  ALA  77           2HB      ALA  77  -2.346   0.462 -15.535
  579    HB3  ALA  77           3HB      ALA  77  -2.368   2.050 -16.305
  580    H    LEU  78           H        LEU  78  -0.913   0.855 -12.452
  581    HA   LEU  78           HA       LEU  78   1.667   1.929 -12.946
  582    HB2  LEU  78           2HB      LEU  78   0.579  -0.358 -11.366
  583    HB3  LEU  78           1HB      LEU  78   2.303  -0.280 -11.654
  584    HG   LEU  78           HG       LEU  78   2.469   1.825 -10.484
  585   HD11  LEU  78          1HD1      LEU  78   0.555   2.868  -9.395
  586   HD12  LEU  78          2HD1      LEU  78  -0.518   1.668 -10.114
  587   HD13  LEU  78          3HD1      LEU  78   0.336   2.816 -11.145
  588   HD21  LEU  78          3HD2      LEU  78   0.805  -0.150  -8.933
  589   HD22  LEU  78          1HD2      LEU  78   1.845   1.097  -8.248
  590   HD23  LEU  78          2HD2      LEU  78   2.551  -0.231  -9.170
  591    H    SER  79           H        SER  79   2.807   1.563 -14.738
  592    HA   SER  79           HA       SER  79   2.608  -1.107 -15.958
  593    HB2  SER  79           2HB      SER  79   1.611   0.667 -17.371
  594    HB3  SER  79           1HB      SER  79   3.153   1.521 -17.366
  595    HG   SER  79           HG       SER  79   3.999   0.063 -18.690
  596    H    ASP  80           H        ASP  80   4.440  -2.141 -16.521
  597    HA   ASP  80           HA       ASP  80   6.619  -2.666 -16.770
  598    HB2  ASP  80           2HB      ASP  80   7.009   0.321 -16.929
  599    HB3  ASP  80           1HB      ASP  80   8.244  -0.873 -17.306
  600    H    ALA  81           H        ALA  81   8.046   0.065 -15.368
  601    HA   ALA  81           HA       ALA  81   9.281  -1.650 -13.489
  602    HB1  ALA  81           1HB      ALA  81  10.533   0.309 -12.774
  603    HB2  ALA  81           2HB      ALA  81   9.433   1.355 -13.671
  604    HB3  ALA  81           3HB      ALA  81  10.470   0.220 -14.535
  605    H    GLU  82           H        GLU  82   6.669   0.672 -13.287
  606    HA   GLU  82           HA       GLU  82   6.677   1.042 -10.498
  607    HB2  GLU  82           2HB      GLU  82   4.096   1.040 -12.009
  608    HB3  GLU  82           1HB      GLU  82   4.643   2.128 -10.742
  609    HG2  GLU  82           2HG      GLU  82   5.421   2.102 -13.631
  610    HG3  GLU  82           1HG      GLU  82   4.565   3.365 -12.745
  611    H    THR  83           H        THR  83   4.891  -1.158 -12.601
  612    HA   THR  83           HA       THR  83   3.492  -2.516 -10.579
  613    HB   THR  83           HB       THR  83   4.276  -4.172 -12.874
  614    HG1  THR  83           1HG      THR  83   2.548  -2.154 -13.657
  615   HG21  THR  83          3HG2      THR  83   1.613  -3.177 -11.851
  616   HG22  THR  83          1HG2      THR  83   2.390  -4.695 -11.397
  617   HG23  THR  83          2HG2      THR  83   1.850  -4.442 -13.058
  618    H    LYS  84           H        LYS  84   6.498  -3.408 -12.289
  619    HA   LYS  84           HA       LYS  84   6.941  -5.836 -11.022
  620    HB2  LYS  84           2HB      LYS  84   8.924  -3.868 -12.159
  621    HB3  LYS  84           1HB      LYS  84   9.312  -5.518 -11.711
  622    HG2  LYS  84           2HG      LYS  84   7.293  -4.736 -13.792
  623    HG3  LYS  84           1HG      LYS  84   8.957  -5.222 -14.120
  624    HD2  LYS  84           2HD      LYS  84   8.515  -7.404 -13.084
  625    HD3  LYS  84           1HD      LYS  84   6.850  -6.914 -12.773
  626    HE2  LYS  84           2HE      LYS  84   8.102  -7.087 -15.509
  627    HE3  LYS  84           1HE      LYS  84   7.116  -8.352 -14.781
  628    HZ1  LYS  84           3HZ      LYS  84   5.250  -6.845 -14.704
  629    HZ2  LYS  84           1HZ      LYS  84   5.850  -6.935 -16.287
  630    HZ3  LYS  84           2HZ      LYS  84   6.196  -5.584 -15.337
  631    H    VAL  85           H        VAL  85   8.362  -2.673 -10.220
  632    HA   VAL  85           HA       VAL  85   9.907  -3.734  -8.083
  633    HB   VAL  85           HB       VAL  85   9.217  -0.861  -8.710
  634   HG11  VAL  85          1HG1      VAL  85  11.215  -0.306  -7.418
  635   HG12  VAL  85          2HG1      VAL  85  11.429  -2.009  -7.011
  636   HG13  VAL  85          3HG1      VAL  85  10.017  -1.131  -6.422
  637   HG21  VAL  85          3HG2      VAL  85  11.618  -2.514  -9.489
  638   HG22  VAL  85          1HG2      VAL  85  11.362  -0.811  -9.866
  639   HG23  VAL  85          2HG2      VAL  85  10.307  -2.040 -10.570
  640    H    PHE  86           H        PHE  86   6.797  -2.066  -8.250
  641    HA   PHE  86           HA       PHE  86   6.468  -1.836  -5.433
  642    HB2  PHE  86           2HB      PHE  86   5.200  -0.386  -6.845
  643    HB3  PHE  86           1HB      PHE  86   4.514  -1.734  -7.731
  644    HD1  PHE  86           2HD      PHE  86   4.675  -0.345  -4.288
  645    HD2  PHE  86           1HD      PHE  86   2.371  -2.420  -7.191
  646    HE1  PHE  86           2HE      PHE  86   2.737  -0.286  -2.777
  647    HE2  PHE  86           1HE      PHE  86   0.422  -2.362  -5.689
  648    HZ   PHE  86           HZ       PHE  86   0.605  -1.291  -3.480
  649    H    LEU  87           H        LEU  87   5.614  -4.295  -7.821
  650    HA   LEU  87           HA       LEU  87   4.219  -6.012  -6.076
  651    HB2  LEU  87           2HB      LEU  87   5.843  -6.581  -8.550
  652    HB3  LEU  87           1HB      LEU  87   4.990  -7.833  -7.672
  653    HG   LEU  87           HG       LEU  87   3.653  -5.428  -8.914
  654   HD11  LEU  87          1HD1      LEU  87   3.892  -8.256  -9.931
  655   HD12  LEU  87          2HD1      LEU  87   4.635  -6.822 -10.642
  656   HD13  LEU  87          3HD1      LEU  87   2.879  -6.995 -10.634
  657   HD21  LEU  87          3HD2      LEU  87   2.407  -6.385  -7.050
  658   HD22  LEU  87          1HD2      LEU  87   2.531  -7.987  -7.776
  659   HD23  LEU  87          2HD2      LEU  87   1.607  -6.722  -8.582
  660    H    LYS  88           H        LYS  88   7.636  -5.929  -7.042
  661    HA   LYS  88           HA       LYS  88   8.442  -8.118  -5.476
  662    HB2  LYS  88           2HB      LYS  88   9.977  -5.833  -6.689
  663    HB3  LYS  88           1HB      LYS  88  10.764  -7.123  -5.784
  664    HG2  LYS  88           2HG      LYS  88   9.002  -7.638  -8.159
  665    HG3  LYS  88           1HG      LYS  88  10.750  -7.399  -8.271
  666    HD2  LYS  88           2HD      LYS  88  11.101  -9.268  -6.740
  667    HD3  LYS  88           1HD      LYS  88   9.358  -9.514  -6.634
  668    HE2  LYS  88           2HE      LYS  88  10.931  -9.666  -9.198
  669    HE3  LYS  88           1HE      LYS  88  10.524 -11.064  -8.206
  670    HZ1  LYS  88           3HZ      LYS  88   8.949 -10.775 -10.009
  671    HZ2  LYS  88           1HZ      LYS  88   8.576  -9.217  -9.472
  672    HZ3  LYS  88           2HZ      LYS  88   8.176 -10.558  -8.514
  673    H    ALA  89           H        ALA  89   7.753  -4.893  -4.566
  674    HA   ALA  89           HA       ALA  89   9.231  -4.669  -2.202
  675    HB1  ALA  89           1HB      ALA  89   6.415  -3.712  -2.699
  676    HB2  ALA  89           2HB      ALA  89   7.881  -2.853  -3.170
  677    HB3  ALA  89           3HB      ALA  89   7.525  -3.114  -1.463
  678    H    GLY  90           H        GLY  90   6.433  -6.581  -3.003
  679    HA2  GLY  90           2HA      GLY  90   6.451  -7.663  -0.251
  680    HA3  GLY  90           1HA      GLY  90   4.992  -7.547  -1.228
  681    H    ASP  91           H        ASP  91   6.055  -8.407  -3.677
  682    HA   ASP  91           HA       ASP  91   5.710 -11.180  -3.502
  683    HB2  ASP  91           2HB      ASP  91   5.246 -10.120  -5.581
  684    HB3  ASP  91           1HB      ASP  91   6.852  -9.408  -5.665
  685    H    SER  92           H        SER  92   7.026 -12.360  -2.309
  686    HA   SER  92           HA       SER  92   9.923 -11.949  -2.449
  687    HB2  SER  92           2HB      SER  92   8.329 -13.708  -0.570
  688    HB3  SER  92           1HB      SER  92  10.019 -13.231  -0.400
  689    HG   SER  92           HG       SER  92   8.102 -11.204  -0.613
  690    H    ASP  93           H        ASP  93   7.565 -13.700  -3.910
  691    HA   ASP  93           HA       ASP  93   9.020 -16.231  -4.036
  692    HB2  ASP  93           2HB      ASP  93   6.473 -15.622  -5.517
  693    HB3  ASP  93           1HB      ASP  93   7.076 -17.180  -4.963
  694    H    GLY  94           H        GLY  94   8.392 -13.396  -5.880
  695    HA2  GLY  94           2HA      GLY  94   9.465 -12.659  -7.800
  696    HA3  GLY  94           1HA      GLY  94  10.255 -14.225  -7.939
  697    H    ASP  95           H        ASP  95   6.826 -13.968  -7.490
  698    HA   ASP  95           HA       ASP  95   6.500 -15.175 -10.149
  699    HB2  ASP  95           2HB      ASP  95   4.520 -16.256  -9.310
  700    HB3  ASP  95           1HB      ASP  95   5.842 -16.555  -8.192
  701    H    GLY  96           H        GLY  96   6.031 -12.285  -8.555
  702    HA2  GLY  96           2HA      GLY  96   5.296 -10.333  -9.576
  703    HA3  GLY  96           1HA      GLY  96   4.654 -11.295 -10.894
  704    H    LYS  97           H        LYS  97   3.757 -11.983  -7.595
  705    HA   LYS  97           HA       LYS  97   1.206 -10.532  -7.983
  706    HB2  LYS  97           2HB      LYS  97  -0.056 -12.337  -7.094
  707    HB3  LYS  97           1HB      LYS  97   0.972 -13.030  -8.337
  708    HG2  LYS  97           2HG      LYS  97   2.273 -14.165  -6.824
  709    HG3  LYS  97           1HG      LYS  97   1.878 -13.071  -5.490
  710    HD2  LYS  97           2HD      LYS  97   0.793 -15.248  -5.201
  711    HD3  LYS  97           1HD      LYS  97  -0.405 -13.980  -5.446
  712    HE2  LYS  97           2HE      LYS  97  -1.110 -15.817  -6.756
  713    HE3  LYS  97           1HE      LYS  97  -0.434 -14.641  -7.880
  714    HZ1  LYS  97           3HZ      LYS  97   1.701 -15.974  -7.687
  715    HZ2  LYS  97           1HZ      LYS  97   0.422 -16.708  -8.529
  716    HZ3  LYS  97           2HZ      LYS  97   0.766 -17.176  -6.947
  717    H    ILE  98           H        ILE  98   0.027 -10.361  -5.884
  718    HA   ILE  98           HA       ILE  98   1.962  -9.759  -3.753
  719    HB   ILE  98           HB       ILE  98  -0.563  -8.327  -4.540
  720   HG12  ILE  98          2HG1      ILE  98   1.448  -7.646  -5.740
  721   HG13  ILE  98          1HG1      ILE  98   0.908  -6.362  -4.659
  722   HG21  ILE  98          1HG2      ILE  98  -0.319  -6.916  -2.582
  723   HG22  ILE  98          2HG2      ILE  98   1.058  -7.877  -2.046
  724   HG23  ILE  98          3HG2      ILE  98  -0.550  -8.601  -2.112
  725   HD11  ILE  98          3HD1      ILE  98   3.268  -6.493  -4.499
  726   HD12  ILE  98          1HD1      ILE  98   3.223  -8.240  -4.269
  727   HD13  ILE  98          2HD1      ILE  98   2.609  -7.168  -3.012
  728    H    GLY  99           H        GLY  99   1.783 -11.592  -2.502
  729    HA2  GLY  99           2HA      GLY  99  -0.708 -12.492  -1.464
  730    HA3  GLY  99           1HA      GLY  99   0.869 -12.678  -0.690
  731    H    VAL 100           H        VAL 100  -1.886 -11.674   0.242
  732    HA   VAL 100           HA       VAL 100  -1.718  -8.916   0.690
  733    HB   VAL 100           HB       VAL 100  -3.147 -11.048   2.239
  734   HG11  VAL 100          1HG1      VAL 100  -4.546  -9.252   3.139
  735   HG12  VAL 100          2HG1      VAL 100  -3.519  -8.061   2.338
  736   HG13  VAL 100          3HG1      VAL 100  -2.860  -9.072   3.626
  737   HG21  VAL 100          3HG2      VAL 100  -5.091 -10.291   0.952
  738   HG22  VAL 100          1HG2      VAL 100  -3.802 -10.908  -0.081
  739   HG23  VAL 100          2HG2      VAL 100  -4.049  -9.168   0.074
  740    H    ASP 101           H        ASP 101  -0.614 -11.651   2.614
  741    HA   ASP 101           HA       ASP 101   0.426 -10.231   4.795
  742    HB2  ASP 101           2HB      ASP 101   0.179 -12.708   4.675
  743    HB3  ASP 101           1HB      ASP 101   1.539 -12.759   3.557
  744    H    GLU 102           H        GLU 102   1.795 -11.011   1.637
  745    HA   GLU 102           HA       GLU 102   4.363  -9.903   2.046
  746    HB2  GLU 102           2HB      GLU 102   2.779 -10.183  -0.533
  747    HB3  GLU 102           1HB      GLU 102   4.500  -9.827  -0.429
  748    HG2  GLU 102           2HG      GLU 102   4.890 -11.997   0.635
  749    HG3  GLU 102           1HG      GLU 102   3.169 -12.356   0.525
  750    H    PHE 103           H        PHE 103   1.286  -8.553   1.035
  751    HA   PHE 103           HA       PHE 103   2.258  -6.000   0.267
  752    HB2  PHE 103           2HB      PHE 103   0.016  -7.063  -0.338
  753    HB3  PHE 103           1HB      PHE 103  -0.525  -6.595   1.269
  754    HD1  PHE 103           1HD      PHE 103   0.765  -5.281  -1.931
  755    HD2  PHE 103           2HD      PHE 103  -1.253  -4.404   1.707
  756    HE1  PHE 103           1HE      PHE 103   0.181  -3.060  -2.798
  757    HE2  PHE 103           2HE      PHE 103  -1.839  -2.178   0.845
  758    HZ   PHE 103           HZ       PHE 103  -1.123  -1.501  -1.410
  759    H    GLY 104           H        GLY 104   0.723  -7.213   3.238
  760    HA2  GLY 104           2HA      GLY 104   0.813  -4.843   4.722
  761    HA3  GLY 104           1HA      GLY 104   0.849  -6.463   5.406
  762    H    ALA 105           H        ALA 105   3.274  -7.267   4.125
  763    HA   ALA 105           HA       ALA 105   5.176  -6.310   5.989
  764    HB1  ALA 105           1HB      ALA 105   6.763  -7.707   4.801
  765    HB2  ALA 105           2HB      ALA 105   5.636  -7.880   3.457
  766    HB3  ALA 105           3HB      ALA 105   5.240  -8.565   5.033
  767    H    MET 106           H        MET 106   4.524  -5.493   2.589
  768    HA   MET 106           HA       MET 106   6.923  -3.958   2.294
  769    HB2  MET 106           2HB      MET 106   6.207  -3.398   0.156
  770    HB3  MET 106           1HB      MET 106   5.455  -4.964   0.410
  771    HG2  MET 106           2HG      MET 106   3.333  -3.995   0.761
  772    HG3  MET 106           1HG      MET 106   4.017  -2.380   0.923
  773    HE1  MET 106           3HE      MET 106   4.557  -5.283  -1.735
  774    HE2  MET 106           1HE      MET 106   3.539  -4.689  -3.047
  775    HE3  MET 106           2HE      MET 106   2.808  -5.175  -1.520
  776    H    ILE 107           H        ILE 107   3.777  -3.353   3.539
  777    HA   ILE 107           HA       ILE 107   3.975  -0.475   3.492
  778    HB   ILE 107           HB       ILE 107   2.056  -2.399   4.819
  779   HG12  ILE 107          2HG1      ILE 107   1.649  -0.405   2.586
  780   HG13  ILE 107          1HG1      ILE 107   1.936  -2.127   2.351
  781   HG21  ILE 107          1HG2      ILE 107   0.690  -0.457   5.421
  782   HG22  ILE 107          2HG2      ILE 107   1.989   0.607   4.889
  783   HG23  ILE 107          3HG2      ILE 107   2.241  -0.471   6.258
  784   HD11  ILE 107          3HD1      ILE 107  -0.422  -1.564   2.164
  785   HD12  ILE 107          1HD1      ILE 107  -0.406  -0.924   3.805
  786   HD13  ILE 107          2HD1      ILE 107  -0.125  -2.642   3.527
  787    H    LYS 108           H        LYS 108   4.653  -3.101   5.613
  788    HA   LYS 108           HA       LYS 108   5.189  -1.345   7.875
  789    HB2  LYS 108           2HB      LYS 108   3.788  -3.224   8.327
  790    HB3  LYS 108           1HB      LYS 108   4.903  -4.329   7.547
  791    HG2  LYS 108           2HG      LYS 108   6.147  -2.941   9.758
  792    HG3  LYS 108           1HG      LYS 108   4.692  -3.814  10.252
  793    HD2  LYS 108           2HD      LYS 108   5.543  -5.849   9.229
  794    HD3  LYS 108           1HD      LYS 108   6.974  -4.985   8.663
  795    HE2  LYS 108           2HE      LYS 108   7.458  -6.279  10.665
  796    HE3  LYS 108           1HE      LYS 108   7.630  -4.552  10.971
  797    HZ1  LYS 108           3HZ      LYS 108   6.473  -5.673  12.770
  798    HZ2  LYS 108           1HZ      LYS 108   5.275  -6.205  11.704
  799    HZ3  LYS 108           2HZ      LYS 108   5.457  -4.555  12.015
  800    H    ALA 109           H        ALA 109   6.809  -2.155   5.268
  801    HA   ALA 109           HA       ALA 109   9.263  -3.212   6.022
  802    HB1  ALA 109           1HB      ALA 109   8.564  -2.868   3.696
  803    HB2  ALA 109           2HB      ALA 109  10.153  -2.175   4.014
  804    HB3  ALA 109           3HB      ALA 109   8.739  -1.126   3.908
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1 -18.900  10.107  -1.107
    2    H2   MET   1           2HT      MET   1 -18.056  11.457  -0.541
    3    H3   MET   1           3HT      MET   1 -19.509  11.005   0.191
    4    HA   MET   1           HA       MET   1 -17.593  10.390   1.530
    5    HB2  MET   1           2HB      MET   1 -19.298   8.209   0.343
    6    HB3  MET   1           1HB      MET   1 -18.136   7.875   1.617
    7    HG2  MET   1           2HG      MET   1 -20.365   8.158   2.516
    8    HG3  MET   1           1HG      MET   1 -19.287   9.427   3.093
    9    HE1  MET   1           2HE      MET   1 -22.876  11.069   2.809
   10    HE2  MET   1           3HE      MET   1 -21.562  10.652   3.908
   11    HE3  MET   1           1HE      MET   1 -22.534   9.378   3.175
   12    H    ALA   2           H        ALA   2 -15.530   9.787   1.576
   13    HA   ALA   2           HA       ALA   2 -14.248   8.836  -0.831
   14    HB1  ALA   2           1HB      ALA   2 -12.180   8.974   0.473
   15    HB2  ALA   2           2HB      ALA   2 -13.117   9.301   1.932
   16    HB3  ALA   2           3HB      ALA   2 -13.116  10.464   0.605
   17    H    PHE   3           H        PHE   3 -15.721   6.928  -0.781
   18    HA   PHE   3           HA       PHE   3 -16.073   4.705  -0.599
   19    HB2  PHE   3           2HB      PHE   3 -13.310   4.664   0.632
   20    HB3  PHE   3           1HB      PHE   3 -14.223   3.235   0.158
   21    HD1  PHE   3           2HD      PHE   3 -14.665   2.782  -2.219
   22    HD2  PHE   3           1HD      PHE   3 -12.182   6.006  -0.976
   23    HE1  PHE   3           2HE      PHE   3 -13.749   2.950  -4.496
   24    HE2  PHE   3           1HE      PHE   3 -11.263   6.181  -3.249
   25    HZ   PHE   3           HZ       PHE   3 -12.046   4.651  -5.012
   26    H    ALA   4           H        ALA   4 -14.179   5.174   2.366
   27    HA   ALA   4           HA       ALA   4 -16.591   5.124   3.981
   28    HB1  ALA   4           1HB      ALA   4 -15.958   3.232   5.318
   29    HB2  ALA   4           2HB      ALA   4 -14.456   3.042   4.415
   30    HB3  ALA   4           3HB      ALA   4 -16.004   2.734   3.627
   31    H    GLY   5           H        GLY   5 -13.779   6.503   3.300
   32    HA2  GLY   5           2HA      GLY   5 -12.642   8.153   4.467
   33    HA3  GLY   5           1HA      GLY   5 -13.522   7.694   5.922
   34    H    ILE   6           H        ILE   6 -12.478   4.831   4.971
   35    HA   ILE   6           HA       ILE   6 -10.292   4.613   6.730
   36    HB   ILE   6           HB       ILE   6 -11.088   2.857   4.396
   37   HG12  ILE   6          2HG1      ILE   6 -11.589   2.664   7.372
   38   HG13  ILE   6          1HG1      ILE   6 -12.789   2.929   6.111
   39   HG21  ILE   6          1HG2      ILE   6  -8.715   2.555   4.929
   40   HG22  ILE   6          2HG2      ILE   6  -9.664   1.128   5.341
   41   HG23  ILE   6          3HG2      ILE   6  -9.138   2.232   6.610
   42   HD11  ILE   6          3HD1      ILE   6 -12.874   0.650   6.913
   43   HD12  ILE   6          1HD1      ILE   6 -11.166   0.429   6.528
   44   HD13  ILE   6          2HD1      ILE   6 -12.336   0.688   5.234
   45    H    LEU   7           H        LEU   7 -10.601   5.507   3.419
   46    HA   LEU   7           HA       LEU   7  -7.778   6.266   3.356
   47    HB2  LEU   7           2HB      LEU   7  -7.514   5.507   1.089
   48    HB3  LEU   7           1HB      LEU   7  -8.064   4.152   2.056
   49    HG   LEU   7           HG       LEU   7 -10.052   5.787   0.515
   50   HD11  LEU   7          1HD1      LEU   7  -8.262   5.159  -1.059
   51   HD12  LEU   7          2HD1      LEU   7  -9.790   4.348  -1.400
   52   HD13  LEU   7          3HD1      LEU   7  -8.486   3.471  -0.601
   53   HD21  LEU   7          3HD2      LEU   7 -10.882   4.162   2.130
   54   HD22  LEU   7          1HD2      LEU   7  -9.943   2.890   1.349
   55   HD23  LEU   7          2HD2      LEU   7 -11.269   3.666   0.482
   56    H    ASN   8           H        ASN   8  -7.412   8.184   2.213
   57    HA   ASN   8           HA       ASN   8  -9.823   9.552   1.244
   58    HB2  ASN   8           2HB      ASN   8  -7.083  10.557   2.013
   59    HB3  ASN   8           1HB      ASN   8  -8.190  11.540   1.065
   60   HD21  ASN   8          1HD2      ASN   8  -9.195   9.334   3.600
   61   HD22  ASN   8          2HD2      ASN   8  -9.724  10.553   4.705
   62    H    ASP   9           H        ASP   9 -10.232   9.322  -0.814
   63    HA   ASP   9           HA       ASP   9  -8.638   8.076  -2.706
   64    HB2  ASP   9           2HB      ASP   9 -10.196   9.010  -4.381
   65    HB3  ASP   9           1HB      ASP   9 -11.043   8.320  -3.002
   66    H    ALA  10           H        ALA  10  -8.911  11.448  -1.881
   67    HA   ALA  10           HA       ALA  10  -7.416  12.537  -3.998
   68    HB1  ALA  10           1HB      ALA  10  -7.761  13.557  -1.179
   69    HB2  ALA  10           2HB      ALA  10  -8.831  13.884  -2.544
   70    HB3  ALA  10           3HB      ALA  10  -7.177  14.498  -2.554
   71    H    ASP  11           H        ASP  11  -6.430  11.131  -0.906
   72    HA   ASP  11           HA       ASP  11  -3.743  12.046  -1.032
   73    HB2  ASP  11           2HB      ASP  11  -5.123   9.941   0.596
   74    HB3  ASP  11           1HB      ASP  11  -3.371  10.084   0.627
   75    H    ILE  12           H        ILE  12  -5.262   8.966  -1.780
   76    HA   ILE  12           HA       ILE  12  -2.972   7.626  -2.662
   77    HB   ILE  12           HB       ILE  12  -5.888   7.339  -3.275
   78   HG12  ILE  12          2HG1      ILE  12  -5.489   5.092  -2.179
   79   HG13  ILE  12          1HG1      ILE  12  -3.861   5.642  -1.809
   80   HG21  ILE  12          1HG2      ILE  12  -5.405   5.278  -4.539
   81   HG22  ILE  12          2HG2      ILE  12  -3.681   5.640  -4.443
   82   HG23  ILE  12          3HG2      ILE  12  -4.758   6.712  -5.337
   83   HD11  ILE  12          3HD1      ILE  12  -4.793   7.463  -0.469
   84   HD12  ILE  12          1HD1      ILE  12  -5.310   5.878   0.108
   85   HD13  ILE  12          2HD1      ILE  12  -6.419   6.882  -0.827
   86    H    THR  13           H        THR  13  -5.433   9.358  -4.554
   87    HA   THR  13           HA       THR  13  -4.252   9.258  -7.045
   88    HB   THR  13           HB       THR  13  -5.851  11.539  -5.876
   89    HG1  THR  13           1HG      THR  13  -7.094   9.715  -5.710
   90   HG21  THR  13          3HG2      THR  13  -4.731  12.108  -7.992
   91   HG22  THR  13          1HG2      THR  13  -6.484  12.021  -8.177
   92   HG23  THR  13          2HG2      THR  13  -5.469  10.695  -8.749
   93    H    ALA  14           H        ALA  14  -3.573  11.450  -4.354
   94    HA   ALA  14           HA       ALA  14  -1.908  13.254  -5.747
   95    HB1  ALA  14           1HB      ALA  14  -1.114  13.947  -3.559
   96    HB2  ALA  14           2HB      ALA  14  -1.822  12.508  -2.827
   97    HB3  ALA  14           3HB      ALA  14  -2.865  13.737  -3.540
   98    H    ALA  15           H        ALA  15  -1.215  10.280  -3.946
   99    HA   ALA  15           HA       ALA  15   1.582  10.309  -4.264
  100    HB1  ALA  15           1HB      ALA  15  -0.242   7.911  -4.069
  101    HB2  ALA  15           2HB      ALA  15   0.409   8.815  -2.701
  102    HB3  ALA  15           3HB      ALA  15   1.496   7.928  -3.770
  103    H    LEU  16           H        LEU  16  -1.012   8.964  -6.250
  104    HA   LEU  16           HA       LEU  16   0.576   7.846  -8.278
  105    HB2  LEU  16           2HB      LEU  16  -2.243   8.832  -8.140
  106    HB3  LEU  16           1HB      LEU  16  -1.563   8.408  -9.697
  107    HG   LEU  16           HG       LEU  16  -2.881   6.584  -8.756
  108   HD11  LEU  16          1HD1      LEU  16   0.066   5.971  -8.835
  109   HD12  LEU  16          2HD1      LEU  16  -1.018   6.041 -10.223
  110   HD13  LEU  16          3HD1      LEU  16  -1.238   4.795  -8.995
  111   HD21  LEU  16          3HD2      LEU  16  -2.161   5.379  -6.784
  112   HD22  LEU  16          1HD2      LEU  16  -2.539   7.058  -6.392
  113   HD23  LEU  16          2HD2      LEU  16  -0.857   6.540  -6.532
  114    H    ALA  17           H        ALA  17  -0.584  11.115  -7.753
  115    HA   ALA  17           HA       ALA  17   0.067  12.151 -10.297
  116    HB1  ALA  17           1HB      ALA  17  -1.461  13.271  -8.737
  117    HB2  ALA  17           2HB      ALA  17  -0.163  14.341  -9.269
  118    HB3  ALA  17           3HB      ALA  17  -0.104  13.611  -7.664
  119    H    ALA  18           H        ALA  18   1.927  11.680  -7.367
  120    HA   ALA  18           HA       ALA  18   4.213  13.151  -8.380
  121    HB1  ALA  18           1HB      ALA  18   3.721  13.191  -5.988
  122    HB2  ALA  18           2HB      ALA  18   5.306  12.485  -6.303
  123    HB3  ALA  18           3HB      ALA  18   3.941  11.442  -5.911
  124    H    CYS  19           H        CYS  19   2.953  10.092  -8.825
  125    HA   CYS  19           HA       CYS  19   5.599   9.001  -9.492
  126    HB2  CYS  19           2HB      CYS  19   3.340   7.645  -8.025
  127    HB3  CYS  19           1HB      CYS  19   4.711   6.780  -8.698
  128    HG   CYS  19           HG       CYS  19   6.030   9.121  -6.933
  129    H    LYS  20           H        LYS  20   3.546  10.244 -11.195
  130    HA   LYS  20           HA       LYS  20   2.433   8.010 -12.649
  131    HB2  LYS  20           2HB      LYS  20   1.455   9.870 -14.071
  132    HB3  LYS  20           1HB      LYS  20   0.876   9.728 -12.432
  133    HG2  LYS  20           2HG      LYS  20   1.115  12.022 -12.842
  134    HG3  LYS  20           1HG      LYS  20   2.496  11.578 -11.844
  135    HD2  LYS  20           2HD      LYS  20   3.969  11.645 -13.705
  136    HD3  LYS  20           1HD      LYS  20   2.628  11.734 -14.848
  137    HE2  LYS  20           2HE      LYS  20   3.688  13.911 -14.583
  138    HE3  LYS  20           1HE      LYS  20   2.031  13.939 -13.986
  139    HZ1  LYS  20           3HZ      LYS  20   4.492  13.759 -12.335
  140    HZ2  LYS  20           1HZ      LYS  20   2.914  13.688 -11.723
  141    HZ3  LYS  20           2HZ      LYS  20   3.470  15.096 -12.474
  142    H    ALA  21           H        ALA  21   5.339   9.392 -12.566
  143    HA   ALA  21           HA       ALA  21   5.841   9.279 -15.437
  144    HB1  ALA  21           1HB      ALA  21   7.695   9.934 -13.148
  145    HB2  ALA  21           2HB      ALA  21   6.887  11.094 -14.201
  146    HB3  ALA  21           3HB      ALA  21   8.113  10.012 -14.859
  147    H    GLU  22           H        GLU  22   6.810   7.626 -16.429
  148    HA   GLU  22           HA       GLU  22   6.877   5.097 -15.219
  149    HB2  GLU  22           2HB      GLU  22   8.065   4.402 -17.332
  150    HB3  GLU  22           1HB      GLU  22   6.527   5.219 -17.566
  151    HG2  GLU  22           2HG      GLU  22   7.686   7.288 -18.095
  152    HG3  GLU  22           1HG      GLU  22   9.238   6.502 -17.815
  153    H    GLY  23           H        GLY  23   8.340   4.103 -14.022
  154    HA2  GLY  23           2HA      GLY  23  10.421   3.441 -13.264
  155    HA3  GLY  23           1HA      GLY  23  11.164   4.568 -14.386
  156    H    SER  24           H        SER  24   8.705   5.916 -12.456
  157    HA   SER  24           HA       SER  24  10.706   6.952 -10.563
  158    HB2  SER  24           2HB      SER  24   8.558   8.612 -11.899
  159    HB3  SER  24           1HB      SER  24   9.789   9.191 -10.776
  160    HG   SER  24           HG       SER  24  10.599   7.849 -13.099
  161    H    PHE  25           H        PHE  25   8.293   4.978 -10.578
  162    HA   PHE  25           HA       PHE  25   6.512   6.114  -8.638
  163    HB2  PHE  25           2HB      PHE  25   6.034   4.134 -10.247
  164    HB3  PHE  25           1HB      PHE  25   6.910   3.162  -9.061
  165    HD1  PHE  25           1HD      PHE  25   3.879   5.143  -9.665
  166    HD2  PHE  25           2HD      PHE  25   5.952   2.613  -6.944
  167    HE1  PHE  25           1HE      PHE  25   1.825   4.892  -8.338
  168    HE2  PHE  25           2HE      PHE  25   3.897   2.356  -5.615
  169    HZ   PHE  25           HZ       PHE  25   1.831   3.498  -6.310
  170    H    ASP  26           H        ASP  26   6.947   6.384  -6.523
  171    HA   ASP  26           HA       ASP  26   8.896   4.524  -5.330
  172    HB2  ASP  26           2HB      ASP  26   9.392   6.991  -5.146
  173    HB3  ASP  26           1HB      ASP  26   7.955   7.136  -4.135
  174    H    HIS  27           H        HIS  27   7.619   2.816  -4.889
  175    HA   HIS  27           HA       HIS  27   5.016   2.837  -3.957
  176    HB2  HIS  27           2HB      HIS  27   5.447   0.534  -3.115
  177    HB3  HIS  27           1HB      HIS  27   5.928   0.792  -4.784
  178    HD1  HIS  27           1HD      HIS  27   8.196  -0.022  -5.358
  179    HD2  HIS  27           2HD      HIS  27   7.777   0.633  -1.277
  180    HE1  HIS  27           1HE      HIS  27  10.308  -0.899  -4.309
  181    HE2  HIS  27           2HE      HIS  27   9.987  -0.586  -1.833
  182    H    LYS  28           H        LYS  28   7.889   3.421  -2.165
  183    HA   LYS  28           HA       LYS  28   6.768   2.911   0.417
  184    HB2  LYS  28           2HB      LYS  28   9.189   2.885  -0.078
  185    HB3  LYS  28           1HB      LYS  28   9.117   4.610  -0.418
  186    HG2  LYS  28           2HG      LYS  28   8.632   5.124   1.859
  187    HG3  LYS  28           1HG      LYS  28   8.424   3.418   2.255
  188    HD2  LYS  28           2HD      LYS  28  10.581   4.148   3.040
  189    HD3  LYS  28           1HD      LYS  28  10.805   3.038   1.689
  190    HE2  LYS  28           2HE      LYS  28  12.322   4.886   1.445
  191    HE3  LYS  28           1HE      LYS  28  11.089   4.988   0.192
  192    HZ1  LYS  28           3HZ      LYS  28   9.944   6.660   1.489
  193    HZ2  LYS  28           1HZ      LYS  28  11.536   7.139   1.202
  194    HZ3  LYS  28           2HZ      LYS  28  11.094   6.544   2.720
  195    H    ALA  29           H        ALA  29   7.539   5.891  -1.387
  196    HA   ALA  29           HA       ALA  29   6.348   7.757   0.260
  197    HB1  ALA  29           1HB      ALA  29   7.637   8.318  -1.761
  198    HB2  ALA  29           2HB      ALA  29   6.086   9.156  -1.707
  199    HB3  ALA  29           3HB      ALA  29   6.296   7.754  -2.756
  200    H    PHE  30           H        PHE  30   4.893   5.631  -2.128
  201    HA   PHE  30           HA       PHE  30   2.308   6.611  -2.168
  202    HB2  PHE  30           2HB      PHE  30   3.091   4.867  -3.682
  203    HB3  PHE  30           1HB      PHE  30   3.254   3.740  -2.343
  204    HD1  PHE  30           2HD      PHE  30   0.770   5.731  -4.242
  205    HD2  PHE  30           1HD      PHE  30   1.466   2.390  -1.700
  206    HE1  PHE  30           2HE      PHE  30  -1.540   4.972  -4.610
  207    HE2  PHE  30           1HE      PHE  30  -0.842   1.625  -2.067
  208    HZ   PHE  30           HZ       PHE  30  -2.348   2.917  -3.522
  209    H    PHE  31           H        PHE  31   3.581   4.032   0.013
  210    HA   PHE  31           HA       PHE  31   1.096   3.773   1.367
  211    HB2  PHE  31           2HB      PHE  31   2.132   2.231   2.823
  212    HB3  PHE  31           1HB      PHE  31   2.904   2.024   1.284
  213    HD1  PHE  31           2HD      PHE  31   3.521   3.954   4.416
  214    HD2  PHE  31           1HD      PHE  31   5.094   1.608   1.242
  215    HE1  PHE  31           2HE      PHE  31   5.737   4.011   5.479
  216    HE2  PHE  31           1HE      PHE  31   7.309   1.649   2.303
  217    HZ   PHE  31           HZ       PHE  31   7.634   2.853   4.424
  218    H    THR  32           H        THR  32   3.879   5.741   1.909
  219    HA   THR  32           HA       THR  32   3.101   6.296   4.626
  220    HB   THR  32           HB       THR  32   5.409   5.791   3.925
  221    HG1  THR  32           1HG      THR  32   6.208   7.116   5.477
  222   HG21  THR  32          3HG2      THR  32   5.260   8.530   2.650
  223   HG22  THR  32          1HG2      THR  32   5.568   6.988   1.851
  224   HG23  THR  32          2HG2      THR  32   6.761   7.657   2.964
  225    H    LYS  33           H        LYS  33   2.731   7.730   1.556
  226    HA   LYS  33           HA       LYS  33   2.278  10.409   2.529
  227    HB2  LYS  33           2HB      LYS  33   3.258   9.942   0.323
  228    HB3  LYS  33           1HB      LYS  33   1.770   9.159  -0.171
  229    HG2  LYS  33           2HG      LYS  33   0.573  11.245  -0.038
  230    HG3  LYS  33           1HG      LYS  33   2.010  12.059   0.591
  231    HD2  LYS  33           2HD      LYS  33   1.851  10.699  -2.098
  232    HD3  LYS  33           1HD      LYS  33   1.643  12.438  -1.842
  233    HE2  LYS  33           2HE      LYS  33   3.912  12.513  -0.848
  234    HE3  LYS  33           1HE      LYS  33   4.106  10.804  -1.229
  235    HZ1  LYS  33           3HZ      LYS  33   5.141  12.177  -2.900
  236    HZ2  LYS  33           1HZ      LYS  33   3.687  12.989  -3.190
  237    HZ3  LYS  33           2HZ      LYS  33   3.832  11.348  -3.573
  238    H    VAL  34           H        VAL  34   0.331   7.647   1.478
  239    HA   VAL  34           HA       VAL  34  -2.117   9.119   1.718
  240    HB   VAL  34           HB       VAL  34  -3.177   7.129   0.973
  241   HG11  VAL  34          1HG1      VAL  34  -2.073   8.377  -0.756
  242   HG12  VAL  34          2HG1      VAL  34  -1.956   6.652  -1.110
  243   HG13  VAL  34          3HG1      VAL  34  -0.568   7.514  -0.449
  244   HG21  VAL  34          3HG2      VAL  34  -2.021   5.002   0.679
  245   HG22  VAL  34          1HG2      VAL  34  -2.032   5.507   2.368
  246   HG23  VAL  34          2HG2      VAL  34  -0.572   5.702   1.399
  247    H    GLY  35           H        GLY  35  -0.081   7.472   3.828
  248    HA2  GLY  35           2HA      GLY  35  -0.336   7.233   6.128
  249    HA3  GLY  35           1HA      GLY  35  -2.036   7.634   5.955
  250    H    LEU  36           H        LEU  36  -0.471   5.140   4.065
  251    HA   LEU  36           HA       LEU  36  -2.501   3.280   4.924
  252    HB2  LEU  36           2HB      LEU  36  -1.483   3.629   2.553
  253    HB3  LEU  36           1HB      LEU  36  -0.204   2.584   3.134
  254    HG   LEU  36           HG       LEU  36  -1.911   0.829   3.602
  255   HD11  LEU  36          1HD1      LEU  36  -3.861   2.270   3.851
  256   HD12  LEU  36          2HD1      LEU  36  -4.127   1.066   2.593
  257   HD13  LEU  36          3HD1      LEU  36  -3.751   2.732   2.153
  258   HD21  LEU  36          3HD2      LEU  36  -0.606   0.811   1.540
  259   HD22  LEU  36          1HD2      LEU  36  -1.801   1.850   0.764
  260   HD23  LEU  36          2HD2      LEU  36  -2.241   0.215   1.256
  261    H    ALA  37           H        ALA  37   0.665   4.050   5.889
  262    HA   ALA  37           HA       ALA  37   1.436   1.392   6.693
  263    HB1  ALA  37           1HB      ALA  37   2.732   4.037   7.322
  264    HB2  ALA  37           2HB      ALA  37   3.114   3.002   5.948
  265    HB3  ALA  37           3HB      ALA  37   3.434   2.442   7.589
  266    H    ALA  38           H        ALA  38  -0.590   3.702   7.980
  267    HA   ALA  38           HA       ALA  38  -0.207   2.646  10.701
  268    HB1  ALA  38           1HB      ALA  38  -1.585   5.185   9.832
  269    HB2  ALA  38           2HB      ALA  38   0.025   5.072  10.544
  270    HB3  ALA  38           3HB      ALA  38  -1.394   4.630  11.495
  271    H    LYS  39           H        LYS  39  -1.596   1.286   8.533
  272    HA   LYS  39           HA       LYS  39  -4.405   1.475   9.312
  273    HB2  LYS  39           2HB      LYS  39  -3.055  -0.056   7.085
  274    HB3  LYS  39           1HB      LYS  39  -4.786  -0.087   7.395
  275    HG2  LYS  39           2HG      LYS  39  -3.096   2.244   6.506
  276    HG3  LYS  39           1HG      LYS  39  -4.398   1.447   5.621
  277    HD2  LYS  39           2HD      LYS  39  -6.024   2.249   7.254
  278    HD3  LYS  39           1HD      LYS  39  -4.732   3.005   8.188
  279    HE2  LYS  39           2HE      LYS  39  -4.201   4.407   6.204
  280    HE3  LYS  39           1HE      LYS  39  -5.616   3.727   5.399
  281    HZ1  LYS  39           3HZ      LYS  39  -6.152   5.840   6.393
  282    HZ2  LYS  39           1HZ      LYS  39  -5.625   5.313   7.911
  283    HZ3  LYS  39           2HZ      LYS  39  -6.992   4.614   7.196
  284    H    SER  40           H        SER  40  -5.427  -0.012  10.478
  285    HA   SER  40           HA       SER  40  -3.951  -2.060  11.810
  286    HB2  SER  40           2HB      SER  40  -6.951  -1.624  11.714
  287    HB3  SER  40           1HB      SER  40  -6.064  -2.561  12.916
  288    HG   SER  40           HG       SER  40  -4.907  -0.442  13.267
  289    HA   PRO  41           HA       PRO  41  -4.350  -5.712   9.329
  290    HB2  PRO  41           2HB      PRO  41  -6.197  -6.745  11.445
  291    HB3  PRO  41           1HB      PRO  41  -4.847  -7.555  10.643
  292    HG2  PRO  41           2HG      PRO  41  -4.558  -6.556  13.092
  293    HG3  PRO  41           1HG      PRO  41  -3.252  -6.436  11.902
  294    HD2  PRO  41           2HD      PRO  41  -5.069  -4.332  12.930
  295    HD3  PRO  41           1HD      PRO  41  -3.415  -4.192  12.303
  296    H    ALA  42           H        ALA  42  -7.459  -4.836  10.864
  297    HA   ALA  42           HA       ALA  42  -9.134  -5.972   8.928
  298    HB1  ALA  42           1HB      ALA  42  -9.699  -3.584  10.680
  299    HB2  ALA  42           2HB      ALA  42  -9.882  -5.272  11.157
  300    HB3  ALA  42           3HB      ALA  42 -10.895  -4.603   9.878
  301    H    ASP  43           H        ASP  43  -7.861  -2.666   9.185
  302    HA   ASP  43           HA       ASP  43  -9.187  -1.620   6.922
  303    HB2  ASP  43           2HB      ASP  43  -6.552  -0.760   8.151
  304    HB3  ASP  43           1HB      ASP  43  -7.504   0.183   7.011
  305    H    ILE  44           H        ILE  44  -6.006  -3.039   7.422
  306    HA   ILE  44           HA       ILE  44  -5.090  -2.804   4.770
  307    HB   ILE  44           HB       ILE  44  -4.310  -4.463   7.124
  308   HG12  ILE  44          2HG1      ILE  44  -3.632  -2.140   7.074
  309   HG13  ILE  44          1HG1      ILE  44  -2.226  -3.187   6.927
  310   HG21  ILE  44          1HG2      ILE  44  -3.056  -4.706   4.391
  311   HG22  ILE  44          2HG2      ILE  44  -3.952  -5.964   5.242
  312   HG23  ILE  44          3HG2      ILE  44  -2.407  -5.396   5.879
  313   HD11  ILE  44          3HD1      ILE  44  -3.563  -1.618   4.740
  314   HD12  ILE  44          1HD1      ILE  44  -2.273  -2.792   4.475
  315   HD13  ILE  44          2HD1      ILE  44  -1.968  -1.347   5.438
  316    H    LYS  45           H        LYS  45  -7.121  -5.170   6.353
  317    HA   LYS  45           HA       LYS  45  -6.954  -7.201   4.406
  318    HB2  LYS  45           2HB      LYS  45  -7.954  -7.393   6.727
  319    HB3  LYS  45           1HB      LYS  45  -9.382  -6.586   6.089
  320    HG2  LYS  45           2HG      LYS  45  -9.768  -8.943   6.078
  321    HG3  LYS  45           1HG      LYS  45  -9.590  -8.399   4.410
  322    HD2  LYS  45           2HD      LYS  45  -7.222  -9.127   4.470
  323    HD3  LYS  45           1HD      LYS  45  -7.490  -9.761   6.094
  324    HE2  LYS  45           2HE      LYS  45  -8.862 -10.648   3.564
  325    HE3  LYS  45           1HE      LYS  45  -7.631 -11.540   4.453
  326    HZ1  LYS  45           3HZ      LYS  45 -10.374 -10.892   5.377
  327    HZ2  LYS  45           1HZ      LYS  45  -9.184 -11.589   6.357
  328    HZ3  LYS  45           2HZ      LYS  45  -9.756 -12.422   5.006
  329    H    LYS  46           H        LYS  46  -9.148  -4.409   4.733
  330    HA   LYS  46           HA       LYS  46 -10.545  -5.091   2.335
  331    HB2  LYS  46           2HB      LYS  46 -11.682  -2.994   2.528
  332    HB3  LYS  46           1HB      LYS  46 -11.541  -3.682   4.130
  333    HG2  LYS  46           2HG      LYS  46 -11.071  -1.485   4.539
  334    HG3  LYS  46           1HG      LYS  46  -9.449  -2.140   4.317
  335    HD2  LYS  46           2HD      LYS  46  -9.847   0.024   3.136
  336    HD3  LYS  46           1HD      LYS  46  -9.348  -1.290   2.070
  337    HE2  LYS  46           2HE      LYS  46 -11.570  -1.593   1.271
  338    HE3  LYS  46           1HE      LYS  46 -12.231  -0.536   2.515
  339    HZ1  LYS  46           3HZ      LYS  46 -12.095   0.505   0.314
  340    HZ2  LYS  46           1HZ      LYS  46 -10.413   0.351   0.342
  341    HZ3  LYS  46           2HZ      LYS  46 -11.193   1.336   1.474
  342    H    VAL  47           H        VAL  47  -7.642  -3.369   3.093
  343    HA   VAL  47           HA       VAL  47  -7.253  -2.202   0.538
  344    HB   VAL  47           HB       VAL  47  -5.193  -3.019   2.600
  345   HG11  VAL  47          1HG1      VAL  47  -4.927  -1.199   0.207
  346   HG12  VAL  47          2HG1      VAL  47  -4.188  -2.790   0.389
  347   HG13  VAL  47          3HG1      VAL  47  -3.697  -1.463   1.442
  348   HG21  VAL  47          3HG2      VAL  47  -5.203  -0.655   3.216
  349   HG22  VAL  47          1HG2      VAL  47  -6.802  -1.368   3.420
  350   HG23  VAL  47          2HG2      VAL  47  -6.466  -0.344   2.026
  351    H    PHE  48           H        PHE  48  -6.550  -5.396   1.901
  352    HA   PHE  48           HA       PHE  48  -5.231  -6.548  -0.255
  353    HB2  PHE  48           2HB      PHE  48  -5.423  -8.283   1.159
  354    HB3  PHE  48           1HB      PHE  48  -6.755  -7.514   2.007
  355    HD1  PHE  48           1HD      PHE  48  -6.210  -9.291  -1.265
  356    HD2  PHE  48           2HD      PHE  48  -8.682  -8.731   2.155
  357    HE1  PHE  48           1HE      PHE  48  -7.743 -11.026  -2.093
  358    HE2  PHE  48           2HE      PHE  48 -10.217 -10.461   1.328
  359    HZ   PHE  48           HZ       PHE  48  -9.751 -11.612  -0.795
  360    H    GLU  49           H        GLU  49  -8.699  -6.046   0.219
  361    HA   GLU  49           HA       GLU  49  -9.558  -7.152  -2.210
  362    HB2  GLU  49           2HB      GLU  49 -10.789  -4.840  -0.694
  363    HB3  GLU  49           1HB      GLU  49 -11.602  -5.844  -1.887
  364    HG2  GLU  49           2HG      GLU  49 -11.357  -7.786  -0.438
  365    HG3  GLU  49           1HG      GLU  49 -10.505  -6.801   0.750
  366    H    ILE  50           H        ILE  50  -8.072  -4.081  -1.487
  367    HA   ILE  50           HA       ILE  50  -8.613  -2.750  -3.891
  368    HB   ILE  50           HB       ILE  50  -6.373  -2.557  -1.903
  369   HG12  ILE  50          2HG1      ILE  50  -7.458  -0.776  -1.045
  370   HG13  ILE  50          1HG1      ILE  50  -8.047  -0.216  -2.604
  371   HG21  ILE  50          1HG2      ILE  50  -5.304  -2.038  -3.959
  372   HG22  ILE  50          2HG2      ILE  50  -5.595  -0.529  -3.094
  373   HG23  ILE  50          3HG2      ILE  50  -6.631  -0.984  -4.447
  374   HD11  ILE  50          3HD1      ILE  50  -9.838  -1.811  -2.519
  375   HD12  ILE  50          1HD1      ILE  50  -9.817  -0.877  -1.023
  376   HD13  ILE  50          2HD1      ILE  50  -9.174  -2.523  -1.047
  377    H    ILE  51           H        ILE  51  -5.713  -4.740  -3.056
  378    HA   ILE  51           HA       ILE  51  -4.722  -4.552  -5.735
  379    HB   ILE  51           HB       ILE  51  -3.195  -6.565  -5.074
  380   HG12  ILE  51          2HG1      ILE  51  -4.674  -6.980  -2.922
  381   HG13  ILE  51          1HG1      ILE  51  -2.926  -7.136  -2.823
  382   HG21  ILE  51          1HG2      ILE  51  -2.379  -4.347  -5.375
  383   HG22  ILE  51          2HG2      ILE  51  -1.642  -5.038  -3.924
  384   HG23  ILE  51          3HG2      ILE  51  -2.947  -3.855  -3.777
  385   HD11  ILE  51          3HD1      ILE  51  -2.966  -4.688  -2.028
  386   HD12  ILE  51          1HD1      ILE  51  -3.477  -5.958  -0.918
  387   HD13  ILE  51          2HD1      ILE  51  -4.684  -4.971  -1.737
  388    H    ASP  52           H        ASP  52  -6.808  -6.738  -4.014
  389    HA   ASP  52           HA       ASP  52  -6.907  -8.621  -6.200
  390    HB2  ASP  52           2HB      ASP  52  -7.453  -9.115  -3.700
  391    HB3  ASP  52           1HB      ASP  52  -9.013  -8.387  -4.050
  392    H    GLN  53           H        GLN  53  -7.287  -6.714  -7.724
  393    HA   GLN  53           HA       GLN  53  -9.664  -5.156  -7.524
  394    HB2  GLN  53           2HB      GLN  53  -7.589  -4.414  -8.670
  395    HB3  GLN  53           1HB      GLN  53  -7.874  -5.608  -9.922
  396    HG2  GLN  53           2HG      GLN  53  -9.978  -3.583  -9.342
  397    HG3  GLN  53           1HG      GLN  53  -8.551  -3.107 -10.257
  398   HE21  GLN  53          1HE2      GLN  53  -8.257  -5.696 -11.550
  399   HE22  GLN  53          2HE2      GLN  53  -9.519  -5.794 -12.727
  400    H    ASP  54           H        ASP  54  -8.815  -8.096  -9.106
  401    HA   ASP  54           HA       ASP  54 -11.316  -8.332 -10.556
  402    HB2  ASP  54           2HB      ASP  54  -9.465  -9.218 -11.716
  403    HB3  ASP  54           1HB      ASP  54  -8.832 -10.014 -10.283
  404    H    LYS  55           H        LYS  55 -10.129  -9.040  -7.436
  405    HA   LYS  55           HA       LYS  55 -11.191  -9.814  -5.586
  406    HB2  LYS  55           2HB      LYS  55 -13.174  -8.606  -7.261
  407    HB3  LYS  55           1HB      LYS  55 -13.897  -9.938  -6.373
  408    HG2  LYS  55           2HG      LYS  55 -12.329  -7.695  -5.122
  409    HG3  LYS  55           1HG      LYS  55 -14.090  -7.767  -5.222
  410    HD2  LYS  55           2HD      LYS  55 -14.087  -9.829  -3.916
  411    HD3  LYS  55           1HD      LYS  55 -12.326  -9.785  -3.834
  412    HE2  LYS  55           2HE      LYS  55 -12.409  -7.706  -2.597
  413    HE3  LYS  55           1HE      LYS  55 -14.164  -7.661  -2.745
  414    HZ1  LYS  55           3HZ      LYS  55 -12.613  -9.743  -1.305
  415    HZ2  LYS  55           1HZ      LYS  55 -14.297  -9.678  -1.438
  416    HZ3  LYS  55           2HZ      LYS  55 -13.472  -8.474  -0.581
  417    H    SER  56           H        SER  56 -10.102 -11.919  -6.313
  418    HA   SER  56           HA       SER  56 -12.152 -14.009  -6.349
  419    HB2  SER  56           2HB      SER  56  -9.712 -14.166  -8.125
  420    HB3  SER  56           1HB      SER  56 -11.096 -15.256  -8.096
  421    HG   SER  56           HG       SER  56 -10.772 -13.016  -9.525
  422    H    ASP  57           H        ASP  57 -10.230 -12.820  -4.389
  423    HA   ASP  57           HA       ASP  57  -9.214 -13.592  -2.512
  424    HB2  ASP  57           2HB      ASP  57  -9.854 -16.289  -3.698
  425    HB3  ASP  57           1HB      ASP  57  -8.978 -16.112  -2.183
  426    H    PHE  58           H        PHE  58  -8.001 -13.907  -5.561
  427    HA   PHE  58           HA       PHE  58  -5.291 -14.200  -4.468
  428    HB2  PHE  58           2HB      PHE  58  -6.312 -15.369  -7.067
  429    HB3  PHE  58           1HB      PHE  58  -4.606 -15.253  -6.645
  430    HD1  PHE  58           2HD      PHE  58  -3.679 -16.619  -4.844
  431    HD2  PHE  58           1HD      PHE  58  -7.732 -17.019  -6.077
  432    HE1  PHE  58           2HE      PHE  58  -3.821 -18.781  -3.674
  433    HE2  PHE  58           1HE      PHE  58  -7.878 -19.174  -4.907
  434    HZ   PHE  58           HZ       PHE  58  -5.924 -20.060  -3.705
  435    H    VAL  59           H        VAL  59  -3.830 -12.732  -5.210
  436    HA   VAL  59           HA       VAL  59  -5.017 -10.514  -6.746
  437    HB   VAL  59           HB       VAL  59  -2.929 -10.488  -4.583
  438   HG11  VAL  59          1HG1      VAL  59  -2.769  -8.197  -4.756
  439   HG12  VAL  59          2HG1      VAL  59  -4.131  -8.101  -5.875
  440   HG13  VAL  59          3HG1      VAL  59  -2.603  -8.814  -6.399
  441   HG21  VAL  59          3HG2      VAL  59  -4.586  -9.265  -3.283
  442   HG22  VAL  59          1HG2      VAL  59  -5.164 -10.870  -3.730
  443   HG23  VAL  59          2HG2      VAL  59  -5.740  -9.450  -4.603
  444    H    GLU  60           H        GLU  60  -4.281 -10.977  -8.814
  445    HA   GLU  60           HA       GLU  60  -1.501 -11.807  -9.156
  446    HB2  GLU  60           2HB      GLU  60  -3.798 -11.728 -11.109
  447    HB3  GLU  60           1HB      GLU  60  -2.188 -12.343 -11.468
  448    HG2  GLU  60           2HG      GLU  60  -2.441 -14.079  -9.808
  449    HG3  GLU  60           1HG      GLU  60  -4.011 -13.432  -9.335
  450    H    GLU  61           H        GLU  61  -0.284 -10.956 -11.071
  451    HA   GLU  61           HA       GLU  61   0.201  -8.218 -10.805
  452    HB2  GLU  61           2HB      GLU  61   1.887  -9.735 -11.639
  453    HB3  GLU  61           1HB      GLU  61   0.901 -10.107 -13.043
  454    HG2  GLU  61           2HG      GLU  61   1.126  -7.787 -13.803
  455    HG3  GLU  61           1HG      GLU  61   2.155  -7.447 -12.415
  456    H    ASP  62           H        ASP  62  -1.394  -9.885 -13.533
  457    HA   ASP  62           HA       ASP  62  -2.004  -7.553 -14.985
  458    HB2  ASP  62           2HB      ASP  62  -3.250 -10.301 -14.981
  459    HB3  ASP  62           1HB      ASP  62  -3.797  -9.023 -16.060
  460    H    GLU  63           H        GLU  63  -3.375  -8.908 -12.197
  461    HA   GLU  63           HA       GLU  63  -5.901  -7.539 -12.354
  462    HB2  GLU  63           2HB      GLU  63  -5.904  -9.582 -11.176
  463    HB3  GLU  63           1HB      GLU  63  -4.472  -9.148 -10.255
  464    HG2  GLU  63           2HG      GLU  63  -5.714  -7.611  -8.941
  465    HG3  GLU  63           1HG      GLU  63  -7.126  -7.768  -9.993
  466    H    LEU  64           H        LEU  64  -2.848  -7.173 -10.560
  467    HA   LEU  64           HA       LEU  64  -3.497  -4.860  -9.165
  468    HB2  LEU  64           2HB      LEU  64  -0.968  -6.132 -10.013
  469    HB3  LEU  64           1HB      LEU  64  -0.893  -4.451  -9.521
  470    HG   LEU  64           HG       LEU  64  -2.360  -5.619  -7.500
  471   HD11  LEU  64          1HD1      LEU  64  -0.998  -7.546  -6.791
  472   HD12  LEU  64          2HD1      LEU  64  -0.185  -7.513  -8.357
  473   HD13  LEU  64          3HD1      LEU  64  -1.914  -7.846  -8.267
  474   HD21  LEU  64          3HD2      LEU  64  -0.640  -3.927  -7.254
  475   HD22  LEU  64          1HD2      LEU  64   0.606  -5.112  -7.649
  476   HD23  LEU  64          2HD2      LEU  64  -0.337  -5.286  -6.169
  477    H    LYS  65           H        LYS  65  -2.902  -5.320 -12.488
  478    HA   LYS  65           HA       LYS  65  -1.930  -2.866 -13.275
  479    HB2  LYS  65           2HB      LYS  65  -3.198  -5.105 -14.509
  480    HB3  LYS  65           1HB      LYS  65  -3.922  -3.637 -15.150
  481    HG2  LYS  65           2HG      LYS  65  -1.971  -4.539 -16.434
  482    HG3  LYS  65           1HG      LYS  65  -1.845  -2.848 -15.948
  483    HD2  LYS  65           2HD      LYS  65  -0.318  -3.356 -14.222
  484    HD3  LYS  65           1HD      LYS  65  -0.642  -5.089 -14.340
  485    HE2  LYS  65           2HE      LYS  65   0.407  -5.186 -16.494
  486    HE3  LYS  65           1HE      LYS  65   0.598  -3.433 -16.530
  487    HZ1  LYS  65           3HZ      LYS  65   1.941  -5.322 -14.681
  488    HZ2  LYS  65           1HZ      LYS  65   2.079  -3.636 -14.598
  489    HZ3  LYS  65           2HZ      LYS  65   2.663  -4.473 -15.948
  490    H    LEU  66           H        LEU  66  -5.313  -3.776 -12.646
  491    HA   LEU  66           HA       LEU  66  -6.028  -0.948 -12.977
  492    HB2  LEU  66           2HB      LEU  66  -7.829  -3.362 -12.895
  493    HB3  LEU  66           1HB      LEU  66  -8.365  -1.704 -13.092
  494    HG   LEU  66           HG       LEU  66  -8.380  -2.399 -15.269
  495   HD11  LEU  66          1HD1      LEU  66  -6.315  -1.606 -16.410
  496   HD12  LEU  66          2HD1      LEU  66  -5.556  -1.440 -14.822
  497   HD13  LEU  66          3HD1      LEU  66  -6.971  -0.471 -15.234
  498   HD21  LEU  66          3HD2      LEU  66  -7.596  -4.655 -14.852
  499   HD22  LEU  66          1HD2      LEU  66  -5.938  -4.074 -14.715
  500   HD23  LEU  66          2HD2      LEU  66  -6.783  -3.970 -16.259
  501    H    PHE  67           H        PHE  67  -5.026  -2.765 -10.496
  502    HA   PHE  67           HA       PHE  67  -7.047  -2.416  -8.558
  503    HB2  PHE  67           2HB      PHE  67  -5.611  -3.330  -7.071
  504    HB3  PHE  67           1HB      PHE  67  -4.688  -3.713  -8.504
  505    HD1  PHE  67           2HD      PHE  67  -4.960  -1.368  -5.673
  506    HD2  PHE  67           1HD      PHE  67  -2.513  -2.810  -8.828
  507    HE1  PHE  67           2HE      PHE  67  -3.026  -0.211  -4.693
  508    HE2  PHE  67           1HE      PHE  67  -0.572  -1.660  -7.854
  509    HZ   PHE  67           HZ       PHE  67  -0.827  -0.356  -5.783
  510    H    LEU  68           H        LEU  68  -4.767  -0.284  -9.965
  511    HA   LEU  68           HA       LEU  68  -4.704   1.757  -8.050
  512    HB2  LEU  68           2HB      LEU  68  -4.553   2.022 -11.055
  513    HB3  LEU  68           1HB      LEU  68  -4.063   3.243  -9.901
  514    HG   LEU  68           HG       LEU  68  -2.072   2.286 -10.671
  515   HD11  LEU  68          1HD1      LEU  68  -2.730   0.920  -8.070
  516   HD12  LEU  68          2HD1      LEU  68  -2.107   2.560  -8.263
  517   HD13  LEU  68          3HD1      LEU  68  -1.113   1.178  -8.724
  518   HD21  LEU  68          3HD2      LEU  68  -3.099  -0.481 -10.100
  519   HD22  LEU  68          1HD2      LEU  68  -1.622  -0.025 -10.942
  520   HD23  LEU  68          2HD2      LEU  68  -3.194   0.276 -11.692
  521    H    GLN  69           H        GLN  69  -6.783   1.311 -10.884
  522    HA   GLN  69           HA       GLN  69  -8.389   3.593 -10.365
  523    HB2  GLN  69           2HB      GLN  69  -9.139   1.139 -11.965
  524    HB3  GLN  69           1HB      GLN  69  -9.873   2.732 -12.076
  525    HG2  GLN  69           2HG      GLN  69  -7.627   3.595 -12.810
  526    HG3  GLN  69           1HG      GLN  69  -7.111   1.911 -12.926
  527   HE21  GLN  69          1HE2      GLN  69  -8.030   0.591 -14.505
  528   HE22  GLN  69          2HE2      GLN  69  -8.845   1.240 -15.882
  529    H    ASN  70           H        ASN  70  -8.191   0.520  -8.975
  530    HA   ASN  70           HA       ASN  70 -10.922   0.452  -7.989
  531    HB2  ASN  70           2HB      ASN  70  -9.632  -1.635  -8.459
  532    HB3  ASN  70           1HB      ASN  70  -8.531  -1.212  -7.153
  533   HD21  ASN  70          1HD2      ASN  70  -8.985  -3.037  -5.971
  534   HD22  ASN  70          2HD2      ASN  70 -10.497  -3.273  -5.163
  535    H    PHE  71           H        PHE  71  -7.705   1.242  -6.839
  536    HA   PHE  71           HA       PHE  71  -8.375   1.790  -4.142
  537    HB2  PHE  71           2HB      PHE  71  -6.048   1.586  -5.556
  538    HB3  PHE  71           1HB      PHE  71  -6.161   3.328  -5.360
  539    HD1  PHE  71           2HD      PHE  71  -7.622   3.026  -2.578
  540    HD2  PHE  71           1HD      PHE  71  -4.043   1.452  -4.250
  541    HE1  PHE  71           2HE      PHE  71  -6.666   2.803  -0.321
  542    HE2  PHE  71           1HE      PHE  71  -3.085   1.223  -1.998
  543    HZ   PHE  71           HZ       PHE  71  -4.398   1.899  -0.029
  544    H    SER  72           H        SER  72  -7.981   3.835  -7.009
  545    HA   SER  72           HA       SER  72  -9.948   5.712  -6.021
  546    HB2  SER  72           2HB      SER  72  -7.086   6.577  -6.534
  547    HB3  SER  72           1HB      SER  72  -8.440   7.676  -6.279
  548    HG   SER  72           HG       SER  72  -8.366   5.862  -4.304
  549    H    ALA  73           H        ALA  73 -10.829   6.978  -7.680
  550    HA   ALA  73           HA       ALA  73 -10.779   5.689 -10.214
  551    HB1  ALA  73           1HB      ALA  73 -12.118   8.274  -9.435
  552    HB2  ALA  73           2HB      ALA  73 -12.812   6.663  -9.251
  553    HB3  ALA  73           3HB      ALA  73 -12.473   7.299 -10.861
  554    H    GLY  74           H        GLY  74  -8.883   8.191  -8.916
  555    HA2  GLY  74           2HA      GLY  74  -8.149   9.116 -11.623
  556    HA3  GLY  74           1HA      GLY  74  -7.933  10.057 -10.154
  557    H    ALA  75           H        ALA  75  -7.179   6.659 -10.309
  558    HA   ALA  75           HA       ALA  75  -4.361   7.331  -9.874
  559    HB1  ALA  75           1HB      ALA  75  -5.834   4.749  -9.369
  560    HB2  ALA  75           2HB      ALA  75  -5.420   5.962  -8.157
  561    HB3  ALA  75           3HB      ALA  75  -4.144   5.065  -8.980
  562    H    ARG  76           H        ARG  76  -2.748   6.544 -11.149
  563    HA   ARG  76           HA       ARG  76  -3.515   5.827 -13.832
  564    HB2  ARG  76           2HB      ARG  76  -0.736   6.209 -12.718
  565    HB3  ARG  76           1HB      ARG  76  -1.216   6.246 -14.409
  566    HG2  ARG  76           2HG      ARG  76  -2.038   8.248 -12.315
  567    HG3  ARG  76           1HG      ARG  76  -0.789   8.484 -13.538
  568    HD2  ARG  76           2HD      ARG  76  -3.715   7.984 -14.078
  569    HD3  ARG  76           1HD      ARG  76  -2.906   9.546 -14.174
  570    HE   ARG  76           HE       ARG  76  -1.553   7.753 -15.841
  571   HH11  ARG  76          1HH1      ARG  76  -4.640   9.380 -15.628
  572   HH12  ARG  76          2HH1      ARG  76  -4.895   9.400 -17.344
  573   HH21  ARG  76          1HH2      ARG  76  -1.885   7.769 -18.108
  574   HH22  ARG  76          2HH2      ARG  76  -3.327   8.486 -18.752
  575    H    ALA  77           H        ALA  77  -3.202   3.877 -14.813
  576    HA   ALA  77           HA       ALA  77  -2.772   1.572 -13.224
  577    HB1  ALA  77           1HB      ALA  77  -2.867   0.324 -15.323
  578    HB2  ALA  77           2HB      ALA  77  -2.764   1.837 -16.226
  579    HB3  ALA  77           3HB      ALA  77  -4.173   1.508 -15.217
  580    H    LEU  78           H        LEU  78  -0.939   0.808 -12.510
  581    HA   LEU  78           HA       LEU  78   1.587   1.806 -13.323
  582    HB2  LEU  78           2HB      LEU  78   0.954  -0.641 -11.674
  583    HB3  LEU  78           1HB      LEU  78   2.506   0.166 -11.767
  584    HG   LEU  78           HG       LEU  78  -0.024   1.287 -10.572
  585   HD11  LEU  78          1HD1      LEU  78   1.220   1.190  -8.478
  586   HD12  LEU  78          2HD1      LEU  78   2.586   0.457  -9.318
  587   HD13  LEU  78          3HD1      LEU  78   1.053  -0.410  -9.204
  588   HD21  LEU  78          3HD2      LEU  78   1.198   3.074 -11.634
  589   HD22  LEU  78          1HD2      LEU  78   2.704   2.531 -10.890
  590   HD23  LEU  78          2HD2      LEU  78   1.409   3.181  -9.887
  591    H    SER  79           H        SER  79   2.980   1.070 -14.809
  592    HA   SER  79           HA       SER  79   2.437  -1.553 -16.020
  593    HB2  SER  79           2HB      SER  79   3.221   0.940 -17.549
  594    HB3  SER  79           1HB      SER  79   2.791  -0.630 -18.227
  595    HG   SER  79           HG       SER  79   1.027   0.909 -16.622
  596    H    ASP  80           H        ASP  80   4.237  -2.571 -17.001
  597    HA   ASP  80           HA       ASP  80   6.354  -3.342 -17.072
  598    HB2  ASP  80           2HB      ASP  80   6.749  -0.402 -17.477
  599    HB3  ASP  80           1HB      ASP  80   8.129  -1.491 -17.430
  600    H    ALA  81           H        ALA  81   7.977  -0.680 -15.733
  601    HA   ALA  81           HA       ALA  81   9.201  -2.508 -13.943
  602    HB1  ALA  81           1HB      ALA  81   9.610   0.467 -14.185
  603    HB2  ALA  81           2HB      ALA  81  10.467  -0.767 -15.106
  604    HB3  ALA  81           3HB      ALA  81  10.677  -0.668 -13.358
  605    H    GLU  82           H        GLU  82   6.862   0.060 -13.595
  606    HA   GLU  82           HA       GLU  82   7.052   0.506 -10.835
  607    HB2  GLU  82           2HB      GLU  82   4.366   0.594 -12.113
  608    HB3  GLU  82           1HB      GLU  82   5.116   1.741 -11.019
  609    HG2  GLU  82           2HG      GLU  82   5.674   1.413 -13.953
  610    HG3  GLU  82           1HG      GLU  82   4.802   2.730 -13.181
  611    H    THR  83           H        THR  83   4.857  -1.615 -12.653
  612    HA   THR  83           HA       THR  83   3.625  -2.759 -10.407
  613    HB   THR  83           HB       THR  83   4.097  -4.350 -12.910
  614    HG1  THR  83           1HG      THR  83   2.323  -2.137 -12.582
  615   HG21  THR  83          3HG2      THR  83   2.841  -5.384 -11.083
  616   HG22  THR  83          1HG2      THR  83   1.802  -5.095 -12.478
  617   HG23  THR  83          2HG2      THR  83   1.717  -4.025 -11.078
  618    H    LYS  84           H        LYS  84   6.482  -3.721 -12.268
  619    HA   LYS  84           HA       LYS  84   6.984  -6.180 -11.088
  620    HB2  LYS  84           2HB      LYS  84   8.170  -5.534 -13.061
  621    HB3  LYS  84           1HB      LYS  84   8.869  -4.137 -12.255
  622    HG2  LYS  84           2HG      LYS  84  10.217  -5.545 -10.859
  623    HG3  LYS  84           1HG      LYS  84   9.442  -6.995 -11.505
  624    HD2  LYS  84           2HD      LYS  84  11.546  -6.770 -12.597
  625    HD3  LYS  84           1HD      LYS  84  10.304  -6.329 -13.767
  626    HE2  LYS  84           2HE      LYS  84  12.066  -4.740 -13.959
  627    HE3  LYS  84           1HE      LYS  84  10.714  -3.933 -13.167
  628    HZ1  LYS  84           3HZ      LYS  84  11.820  -4.324 -11.029
  629    HZ2  LYS  84           1HZ      LYS  84  12.772  -3.392 -12.071
  630    HZ3  LYS  84           2HZ      LYS  84  13.130  -5.024 -11.835
  631    H    VAL  85           H        VAL  85   8.582  -3.088 -10.229
  632    HA   VAL  85           HA       VAL  85   9.879  -4.267  -7.981
  633    HB   VAL  85           HB       VAL  85  10.886  -2.379  -9.128
  634   HG11  VAL  85          1HG1      VAL  85   8.559  -0.766  -8.104
  635   HG12  VAL  85          2HG1      VAL  85   8.879  -1.195  -9.786
  636   HG13  VAL  85          3HG1      VAL  85   9.981  -0.118  -8.924
  637   HG21  VAL  85          3HG2      VAL  85  11.482  -1.003  -7.194
  638   HG22  VAL  85          1HG2      VAL  85  11.479  -2.722  -6.798
  639   HG23  VAL  85          2HG2      VAL  85  10.136  -1.697  -6.291
  640    H    PHE  86           H        PHE  86   6.870  -2.551  -8.434
  641    HA   PHE  86           HA       PHE  86   6.303  -2.034  -5.720
  642    HB2  PHE  86           2HB      PHE  86   5.078  -0.953  -7.538
  643    HB3  PHE  86           1HB      PHE  86   4.426  -2.497  -8.054
  644    HD1  PHE  86           2HD      PHE  86   4.248   0.171  -5.576
  645    HD2  PHE  86           1HD      PHE  86   2.633  -3.570  -6.795
  646    HE1  PHE  86           2HE      PHE  86   2.332   0.518  -4.075
  647    HE2  PHE  86           1HE      PHE  86   0.710  -3.229  -5.298
  648    HZ   PHE  86           HZ       PHE  86   0.559  -1.183  -3.934
  649    H    LEU  87           H        LEU  87   5.558  -4.793  -7.838
  650    HA   LEU  87           HA       LEU  87   4.235  -6.344  -5.887
  651    HB2  LEU  87           2HB      LEU  87   5.816  -7.248  -8.295
  652    HB3  LEU  87           1HB      LEU  87   4.779  -8.283  -7.335
  653    HG   LEU  87           HG       LEU  87   3.855  -5.915  -8.966
  654   HD11  LEU  87          1HD1      LEU  87   2.841  -7.620 -10.410
  655   HD12  LEU  87          2HD1      LEU  87   3.619  -8.879  -9.452
  656   HD13  LEU  87          3HD1      LEU  87   4.599  -7.738 -10.373
  657   HD21  LEU  87          3HD2      LEU  87   2.442  -6.308  -7.001
  658   HD22  LEU  87          1HD2      LEU  87   2.263  -7.999  -7.471
  659   HD23  LEU  87          2HD2      LEU  87   1.605  -6.723  -8.495
  660    H    LYS  88           H        LYS  88   7.611  -6.010  -6.801
  661    HA   LYS  88           HA       LYS  88   8.620  -8.202  -5.364
  662    HB2  LYS  88           2HB      LYS  88   9.914  -5.648  -6.303
  663    HB3  LYS  88           1HB      LYS  88  10.815  -6.922  -5.493
  664    HG2  LYS  88           2HG      LYS  88   9.217  -7.407  -7.984
  665    HG3  LYS  88           1HG      LYS  88  10.912  -6.912  -8.004
  666    HD2  LYS  88           2HD      LYS  88  11.463  -8.874  -6.615
  667    HD3  LYS  88           1HD      LYS  88   9.776  -9.386  -6.706
  668    HE2  LYS  88           2HE      LYS  88   9.932  -9.631  -9.097
  669    HE3  LYS  88           1HE      LYS  88  11.569  -8.977  -9.094
  670    HZ1  LYS  88           3HZ      LYS  88  12.327 -10.877  -7.871
  671    HZ2  LYS  88           1HZ      LYS  88  11.503 -11.413  -9.247
  672    HZ3  LYS  88           2HZ      LYS  88  10.757 -11.487  -7.732
  673    H    ALA  89           H        ALA  89   7.738  -5.009  -4.326
  674    HA   ALA  89           HA       ALA  89   9.164  -4.947  -1.896
  675    HB1  ALA  89           1HB      ALA  89   7.592  -3.236  -1.202
  676    HB2  ALA  89           2HB      ALA  89   6.488  -3.690  -2.500
  677    HB3  ALA  89           3HB      ALA  89   8.056  -2.979  -2.884
  678    H    GLY  90           H        GLY  90   6.294  -6.610  -2.898
  679    HA2  GLY  90           2HA      GLY  90   5.798  -7.465  -0.118
  680    HA3  GLY  90           1HA      GLY  90   4.568  -7.405  -1.372
  681    H    ASP  91           H        ASP  91   5.218  -8.786  -3.385
  682    HA   ASP  91           HA       ASP  91   5.169 -11.466  -2.500
  683    HB2  ASP  91           2HB      ASP  91   4.159 -10.677  -4.625
  684    HB3  ASP  91           1HB      ASP  91   5.790 -10.543  -5.294
  685    H    SER  92           H        SER  92   6.832 -12.516  -1.693
  686    HA   SER  92           HA       SER  92   9.550 -11.730  -2.460
  687    HB2  SER  92           2HB      SER  92   8.663 -13.480  -0.158
  688    HB3  SER  92           1HB      SER  92  10.242 -12.725  -0.378
  689    HG   SER  92           HG       SER  92   8.168 -10.938  -0.470
  690    H    ASP  93           H        ASP  93   7.284 -13.908  -3.326
  691    HA   ASP  93           HA       ASP  93   9.006 -16.263  -3.406
  692    HB2  ASP  93           2HB      ASP  93   6.296 -16.269  -4.637
  693    HB3  ASP  93           1HB      ASP  93   7.111 -17.528  -3.726
  694    H    GLY  94           H        GLY  94   7.913 -13.767  -5.535
  695    HA2  GLY  94           2HA      GLY  94   8.361 -13.428  -7.799
  696    HA3  GLY  94           1HA      GLY  94   9.205 -14.978  -7.834
  697    H    ASP  95           H        ASP  95   5.963 -14.143  -6.788
  698    HA   ASP  95           HA       ASP  95   4.982 -16.530  -8.175
  699    HB2  ASP  95           2HB      ASP  95   4.776 -16.009  -5.636
  700    HB3  ASP  95           1HB      ASP  95   3.476 -14.938  -6.121
  701    H    GLY  96           H        GLY  96   5.148 -13.291  -8.760
  702    HA2  GLY  96           2HA      GLY  96   4.183 -12.024 -10.429
  703    HA3  GLY  96           1HA      GLY  96   3.290 -13.453 -10.920
  704    H    LYS  97           H        LYS  97   3.150 -12.051  -7.722
  705    HA   LYS  97           HA       LYS  97   0.527 -10.870  -8.112
  706    HB2  LYS  97           2HB      LYS  97  -0.638 -12.403  -6.652
  707    HB3  LYS  97           1HB      LYS  97   0.062 -13.316  -7.981
  708    HG2  LYS  97           2HG      LYS  97   1.635 -14.327  -6.636
  709    HG3  LYS  97           1HG      LYS  97   1.546 -13.079  -5.372
  710    HD2  LYS  97           2HD      LYS  97   0.462 -15.203  -4.704
  711    HD3  LYS  97           1HD      LYS  97  -0.682 -13.865  -4.766
  712    HE2  LYS  97           2HE      LYS  97  -1.631 -15.899  -5.733
  713    HE3  LYS  97           1HE      LYS  97  -1.473 -14.626  -6.941
  714    HZ1  LYS  97           3HZ      LYS  97   0.395 -15.683  -7.882
  715    HZ2  LYS  97           1HZ      LYS  97  -0.757 -16.899  -7.660
  716    HZ3  LYS  97           2HZ      LYS  97   0.548 -16.766  -6.588
  717    H    ILE  98           H        ILE  98  -0.394 -10.355  -5.889
  718    HA   ILE  98           HA       ILE  98   1.780  -9.825  -3.982
  719    HB   ILE  98           HB       ILE  98  -0.765  -8.325  -4.513
  720   HG12  ILE  98          2HG1      ILE  98   1.222  -7.628  -5.756
  721   HG13  ILE  98          1HG1      ILE  98   0.737  -6.387  -4.606
  722   HG21  ILE  98          1HG2      ILE  98  -0.679  -8.707  -2.115
  723   HG22  ILE  98          2HG2      ILE  98  -0.393  -7.011  -2.504
  724   HG23  ILE  98          3HG2      ILE  98   0.959  -8.056  -2.067
  725   HD11  ILE  98          3HD1      ILE  98   3.062  -8.271  -4.439
  726   HD12  ILE  98          1HD1      ILE  98   2.470  -7.368  -3.042
  727   HD13  ILE  98          2HD1      ILE  98   3.065  -6.509  -4.456
  728    H    GLY  99           H        GLY  99   1.750 -11.530  -2.616
  729    HA2  GLY  99           2HA      GLY  99  -0.563 -12.765  -1.597
  730    HA3  GLY  99           1HA      GLY  99   0.995 -12.674  -0.770
  731    H    VAL 100           H        VAL 100  -1.921 -12.169   0.054
  732    HA   VAL 100           HA       VAL 100  -2.363  -9.470   0.407
  733    HB   VAL 100           HB       VAL 100  -3.875 -10.283   2.246
  734   HG11  VAL 100          1HG1      VAL 100  -5.458 -11.170   0.645
  735   HG12  VAL 100          2HG1      VAL 100  -4.142 -11.603  -0.443
  736   HG13  VAL 100          3HG1      VAL 100  -4.504  -9.902  -0.138
  737   HG21  VAL 100          3HG2      VAL 100  -2.605 -12.328   2.800
  738   HG22  VAL 100          1HG2      VAL 100  -3.064 -12.993   1.233
  739   HG23  VAL 100          2HG2      VAL 100  -4.300 -12.645   2.439
  740    H    ASP 101           H        ASP 101  -0.748 -11.803   2.450
  741    HA   ASP 101           HA       ASP 101  -0.347  -9.914   4.583
  742    HB2  ASP 101           2HB      ASP 101  -0.722 -12.309   4.974
  743    HB3  ASP 101           1HB      ASP 101   0.785 -12.683   4.137
  744    H    GLU 102           H        GLU 102   1.244 -10.921   1.716
  745    HA   GLU 102           HA       GLU 102   3.849  -9.919   2.315
  746    HB2  GLU 102           2HB      GLU 102   2.508 -10.253  -0.395
  747    HB3  GLU 102           1HB      GLU 102   4.233 -10.018  -0.110
  748    HG2  GLU 102           2HG      GLU 102   4.198 -12.159   1.213
  749    HG3  GLU 102           1HG      GLU 102   2.563 -12.409   0.612
  750    H    PHE 103           H        PHE 103   0.868  -8.562   1.074
  751    HA   PHE 103           HA       PHE 103   1.955  -6.082   0.212
  752    HB2  PHE 103           2HB      PHE 103  -0.314  -7.107  -0.417
  753    HB3  PHE 103           1HB      PHE 103  -0.890  -6.486   1.126
  754    HD1  PHE 103           2HD      PHE 103   0.801  -5.402  -1.998
  755    HD2  PHE 103           1HD      PHE 103  -1.706  -4.318   1.260
  756    HE1  PHE 103           2HE      PHE 103   0.399  -3.216  -3.045
  757    HE2  PHE 103           1HE      PHE 103  -2.115  -2.127   0.216
  758    HZ   PHE 103           HZ       PHE 103  -1.062  -1.573  -1.938
  759    H    GLY 104           H        GLY 104   0.157  -7.024   3.146
  760    HA2  GLY 104           2HA      GLY 104   0.349  -4.599   4.514
  761    HA3  GLY 104           1HA      GLY 104   0.241  -6.179   5.282
  762    H    ALA 105           H        ALA 105   2.666  -7.204   4.162
  763    HA   ALA 105           HA       ALA 105   4.519  -6.323   6.090
  764    HB1  ALA 105           1HB      ALA 105   5.001  -7.968   3.611
  765    HB2  ALA 105           2HB      ALA 105   4.522  -8.591   5.190
  766    HB3  ALA 105           3HB      ALA 105   6.094  -7.818   4.985
  767    H    MET 106           H        MET 106   4.223  -5.657   2.600
  768    HA   MET 106           HA       MET 106   6.665  -4.218   2.408
  769    HB2  MET 106           2HB      MET 106   6.064  -3.650   0.227
  770    HB3  MET 106           1HB      MET 106   5.246  -5.184   0.474
  771    HG2  MET 106           2HG      MET 106   3.149  -4.164   0.655
  772    HG3  MET 106           1HG      MET 106   3.849  -2.575   0.938
  773    HE1  MET 106           3HE      MET 106   3.461  -4.667  -3.156
  774    HE2  MET 106           1HE      MET 106   2.778  -5.250  -1.639
  775    HE3  MET 106           2HE      MET 106   4.521  -5.336  -1.913
  776    H    ILE 107           H        ILE 107   3.499  -3.378   3.474
  777    HA   ILE 107           HA       ILE 107   3.790  -0.535   3.127
  778    HB   ILE 107           HB       ILE 107   1.763  -2.196   4.635
  779   HG12  ILE 107          2HG1      ILE 107   1.505  -0.728   2.005
  780   HG13  ILE 107          1HG1      ILE 107   1.813  -2.457   2.154
  781   HG21  ILE 107          1HG2      ILE 107   1.708   0.744   4.002
  782   HG22  ILE 107          2HG2      ILE 107   1.927   0.023   5.593
  783   HG23  ILE 107          3HG2      ILE 107   0.399  -0.180   4.738
  784   HD11  ILE 107          3HD1      ILE 107  -0.531  -2.000   1.718
  785   HD12  ILE 107          1HD1      ILE 107  -0.618  -1.008   3.171
  786   HD13  ILE 107          2HD1      ILE 107  -0.312  -2.740   3.303
  787    H    LYS 108           H        LYS 108   4.221  -2.903   5.622
  788    HA   LYS 108           HA       LYS 108   4.559  -0.928   7.712
  789    HB2  LYS 108           2HB      LYS 108   3.315  -2.963   8.155
  790    HB3  LYS 108           1HB      LYS 108   4.687  -3.947   7.683
  791    HG2  LYS 108           2HG      LYS 108   5.069  -2.041   9.923
  792    HG3  LYS 108           1HG      LYS 108   4.078  -3.469  10.215
  793    HD2  LYS 108           2HD      LYS 108   6.858  -3.544   9.066
  794    HD3  LYS 108           1HD      LYS 108   6.495  -3.755  10.780
  795    HE2  LYS 108           2HE      LYS 108   5.523  -5.497   8.514
  796    HE3  LYS 108           1HE      LYS 108   6.786  -5.907   9.671
  797    HZ1  LYS 108           3HZ      LYS 108   3.917  -5.453  10.293
  798    HZ2  LYS 108           1HZ      LYS 108   5.121  -5.767  11.442
  799    HZ3  LYS 108           2HZ      LYS 108   4.722  -6.939  10.293
  800    H    ALA 109           H        ALA 109   6.465  -2.331   5.349
  801    HA   ALA 109           HA       ALA 109   8.917  -2.769   6.637
  802    HB1  ALA 109           1HB      ALA 109   8.438  -1.834   3.808
  803    HB2  ALA 109           2HB      ALA 109   8.444  -3.512   4.351
  804    HB3  ALA 109           3HB      ALA 109   9.924  -2.554   4.429
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1 -13.988   8.475  -7.960
    2    H2   MET   1           2HT      MET   1 -13.167   9.216  -6.682
    3    H3   MET   1           3HT      MET   1 -14.725   9.723  -7.088
    4    HA   MET   1           HA       MET   1 -15.622   7.584  -6.456
    5    HB2  MET   1           2HB      MET   1 -12.755   7.035  -5.666
    6    HB3  MET   1           1HB      MET   1 -14.119   6.060  -5.143
    7    HG2  MET   1           2HG      MET   1 -14.612   5.503  -7.468
    8    HG3  MET   1           1HG      MET   1 -13.246   6.483  -7.992
    9    HE1  MET   1           2HE      MET   1 -13.431   4.111  -4.826
   10    HE2  MET   1           3HE      MET   1 -12.843   2.601  -5.520
   11    HE3  MET   1           1HE      MET   1 -14.385   3.275  -6.050
   12    H    ALA   2           H        ALA   2 -16.629   7.589  -4.507
   13    HA   ALA   2           HA       ALA   2 -15.410   9.185  -2.353
   14    HB1  ALA   2           1HB      ALA   2 -17.615  10.049  -1.770
   15    HB2  ALA   2           2HB      ALA   2 -18.330   9.165  -3.117
   16    HB3  ALA   2           3HB      ALA   2 -17.196  10.479  -3.429
   17    H    PHE   3           H        PHE   3 -15.387   8.216  -0.403
   18    HA   PHE   3           HA       PHE   3 -17.197   6.083   0.274
   19    HB2  PHE   3           2HB      PHE   3 -15.461   5.000  -1.213
   20    HB3  PHE   3           1HB      PHE   3 -14.253   5.423  -0.008
   21    HD1  PHE   3           1HD      PHE   3 -17.510   3.630  -0.297
   22    HD2  PHE   3           2HD      PHE   3 -13.701   3.867   1.589
   23    HE1  PHE   3           1HE      PHE   3 -17.973   1.530   0.895
   24    HE2  PHE   3           2HE      PHE   3 -14.160   1.768   2.785
   25    HZ   PHE   3           HZ       PHE   3 -16.297   0.597   2.439
   26    H    ALA   4           H        ALA   4 -16.163   5.014   2.435
   27    HA   ALA   4           HA       ALA   4 -16.107   6.962   4.421
   28    HB1  ALA   4           1HB      ALA   4 -14.960   4.175   4.516
   29    HB2  ALA   4           2HB      ALA   4 -16.642   4.607   4.822
   30    HB3  ALA   4           3HB      ALA   4 -15.375   5.175   5.909
   31    H    GLY   5           H        GLY   5 -14.299   7.336   5.973
   32    HA2  GLY   5           2HA      GLY   5 -12.074   8.402   4.485
   33    HA3  GLY   5           1HA      GLY   5 -12.367   8.578   6.210
   34    H    ILE   6           H        ILE   6 -12.304   5.431   4.745
   35    HA   ILE   6           HA       ILE   6 -10.016   4.562   6.203
   36    HB   ILE   6           HB       ILE   6 -11.394   3.330   3.800
   37   HG12  ILE   6          2HG1      ILE   6 -12.803   3.570   5.837
   38   HG13  ILE   6          1HG1      ILE   6 -12.517   1.892   5.391
   39   HG21  ILE   6          1HG2      ILE   6  -9.444   2.043   5.718
   40   HG22  ILE   6          2HG2      ILE   6  -9.080   2.528   4.058
   41   HG23  ILE   6          3HG2      ILE   6 -10.266   1.261   4.365
   42   HD11  ILE   6          3HD1      ILE   6 -11.159   3.424   7.590
   43   HD12  ILE   6          1HD1      ILE   6 -10.746   1.780   7.102
   44   HD13  ILE   6          2HD1      ILE   6 -12.342   2.129   7.767
   45    H    LEU   7           H        LEU   7 -10.639   5.949   3.091
   46    HA   LEU   7           HA       LEU   7  -7.816   6.477   2.773
   47    HB2  LEU   7           2HB      LEU   7  -7.646   5.697   0.513
   48    HB3  LEU   7           1HB      LEU   7  -8.160   4.375   1.527
   49    HG   LEU   7           HG       LEU   7  -9.332   4.107  -0.472
   50   HD11  LEU   7          1HD1      LEU   7 -11.681   4.431   0.032
   51   HD12  LEU   7          2HD1      LEU   7 -11.255   5.517   1.354
   52   HD13  LEU   7          3HD1      LEU   7 -10.797   3.816   1.428
   53   HD21  LEU   7          3HD2      LEU   7  -8.886   6.244  -1.494
   54   HD22  LEU   7          1HD2      LEU   7 -10.046   7.027  -0.420
   55   HD23  LEU   7          2HD2      LEU   7 -10.601   5.851  -1.613
   56    H    ASN   8           H        ASN   8  -7.423   8.429   1.869
   57    HA   ASN   8           HA       ASN   8  -9.748   9.981   0.964
   58    HB2  ASN   8           2HB      ASN   8  -7.019  10.755   1.966
   59    HB3  ASN   8           1HB      ASN   8  -7.976  11.885   1.018
   60   HD21  ASN   8          1HD2      ASN   8  -9.340   9.579   3.275
   61   HD22  ASN   8          2HD2      ASN   8  -9.866  10.747   4.435
   62    H    ASP   9           H        ASP   9 -10.092  10.010  -1.127
   63    HA   ASP   9           HA       ASP   9  -8.508   8.952  -3.121
   64    HB2  ASP   9           2HB      ASP   9 -10.826   9.391  -3.552
   65    HB3  ASP   9           1HB      ASP   9 -10.615  11.113  -3.258
   66    H    ALA  10           H        ALA  10  -8.578  12.230  -1.872
   67    HA   ALA  10           HA       ALA  10  -6.920  13.447  -3.787
   68    HB1  ALA  10           1HB      ALA  10  -8.261  14.734  -2.232
   69    HB2  ALA  10           2HB      ALA  10  -6.560  15.167  -2.049
   70    HB3  ALA  10           3HB      ALA  10  -7.334  14.106  -0.870
   71    H    ASP  11           H        ASP  11  -6.103  11.986  -0.632
   72    HA   ASP  11           HA       ASP  11  -3.344  12.536  -0.772
   73    HB2  ASP  11           2HB      ASP  11  -4.916  10.517   0.818
   74    HB3  ASP  11           1HB      ASP  11  -3.168  10.669   0.964
   75    H    ILE  12           H        ILE  12  -5.176   9.629  -1.486
   76    HA   ILE  12           HA       ILE  12  -3.053   7.996  -2.271
   77    HB   ILE  12           HB       ILE  12  -5.982   8.056  -2.818
   78   HG12  ILE  12          2HG1      ILE  12  -5.837   5.788  -1.754
   79   HG13  ILE  12          1HG1      ILE  12  -4.114   6.054  -1.532
   80   HG21  ILE  12          1HG2      ILE  12  -5.847   5.995  -4.141
   81   HG22  ILE  12          2HG2      ILE  12  -4.089   6.113  -4.135
   82   HG23  ILE  12          3HG2      ILE  12  -5.051   7.344  -4.951
   83   HD11  ILE  12          3HD1      ILE  12  -4.596   7.952  -0.080
   84   HD12  ILE  12          1HD1      ILE  12  -5.347   6.471   0.511
   85   HD13  ILE  12          2HD1      ILE  12  -6.326   7.688  -0.310
   86    H    THR  13           H        THR  13  -5.160  10.092  -4.219
   87    HA   THR  13           HA       THR  13  -3.971   9.633  -6.709
   88    HB   THR  13           HB       THR  13  -5.410  12.071  -5.650
   89    HG1  THR  13           1HG      THR  13  -6.836  10.422  -5.714
   90   HG21  THR  13          3HG2      THR  13  -5.784  12.709  -7.969
   91   HG22  THR  13          1HG2      THR  13  -4.802  11.351  -8.521
   92   HG23  THR  13          2HG2      THR  13  -4.059  12.667  -7.610
   93    H    ALA  14           H        ALA  14  -3.135  11.875  -4.121
   94    HA   ALA  14           HA       ALA  14  -1.427  13.576  -5.512
   95    HB1  ALA  14           1HB      ALA  14  -1.182  12.724  -2.634
   96    HB2  ALA  14           2HB      ALA  14  -2.244  13.996  -3.238
   97    HB3  ALA  14           3HB      ALA  14  -0.494  14.174  -3.363
   98    H    ALA  15           H        ALA  15  -0.498  10.713  -3.559
   99    HA   ALA  15           HA       ALA  15   2.224  10.811  -4.305
  100    HB1  ALA  15           1HB      ALA  15   2.329   8.491  -3.442
  101    HB2  ALA  15           2HB      ALA  15   0.572   8.513  -3.278
  102    HB3  ALA  15           3HB      ALA  15   1.560   9.626  -2.330
  103    H    LEU  16           H        LEU  16  -0.547   9.171  -5.747
  104    HA   LEU  16           HA       LEU  16   0.899   7.572  -7.578
  105    HB2  LEU  16           2HB      LEU  16  -1.918   8.640  -7.627
  106    HB3  LEU  16           1HB      LEU  16  -1.290   7.546  -8.842
  107    HG   LEU  16           HG       LEU  16  -1.361   6.876  -5.903
  108   HD11  LEU  16          1HD1      LEU  16  -3.338   6.177  -8.065
  109   HD12  LEU  16          2HD1      LEU  16  -3.630   7.234  -6.685
  110   HD13  LEU  16          3HD1      LEU  16  -3.328   5.516  -6.432
  111   HD21  LEU  16          3HD2      LEU  16   0.257   5.610  -7.220
  112   HD22  LEU  16          1HD2      LEU  16  -1.009   5.176  -8.369
  113   HD23  LEU  16          2HD2      LEU  16  -1.085   4.584  -6.710
  114    H    ALA  17           H        ALA  17  -0.463  10.829  -7.813
  115    HA   ALA  17           HA       ALA  17   0.273  11.177 -10.562
  116    HB1  ALA  17           1HB      ALA  17  -1.615  12.378  -9.564
  117    HB2  ALA  17           2HB      ALA  17  -0.428  13.486 -10.251
  118    HB3  ALA  17           3HB      ALA  17  -0.501  13.244  -8.505
  119    H    ALA  18           H        ALA  18   1.867  11.546  -7.539
  120    HA   ALA  18           HA       ALA  18   3.867  13.409  -8.324
  121    HB1  ALA  18           1HB      ALA  18   3.327  12.895  -5.962
  122    HB2  ALA  18           2HB      ALA  18   5.043  12.718  -6.325
  123    HB3  ALA  18           3HB      ALA  18   4.020  11.287  -6.185
  124    H    CYS  19           H        CYS  19   3.384  10.023  -8.699
  125    HA   CYS  19           HA       CYS  19   6.142   9.651  -9.618
  126    HB2  CYS  19           2HB      CYS  19   4.106   7.512  -9.002
  127    HB3  CYS  19           1HB      CYS  19   5.843   7.329  -9.199
  128    HG   CYS  19           HG       CYS  19   4.177   8.706  -6.564
  129    H    LYS  20           H        LYS  20   4.704  11.020 -11.414
  130    HA   LYS  20           HA       LYS  20   3.349   9.348 -13.285
  131    HB2  LYS  20           2HB      LYS  20   3.421  11.414 -14.684
  132    HB3  LYS  20           1HB      LYS  20   2.688  11.642 -13.111
  133    HG2  LYS  20           2HG      LYS  20   4.681  12.709 -12.290
  134    HG3  LYS  20           1HG      LYS  20   5.531  12.354 -13.795
  135    HD2  LYS  20           2HD      LYS  20   3.909  13.759 -15.008
  136    HD3  LYS  20           1HD      LYS  20   3.132  14.156 -13.474
  137    HE2  LYS  20           2HE      LYS  20   5.156  15.215 -12.684
  138    HE3  LYS  20           1HE      LYS  20   6.018  14.718 -14.137
  139    HZ1  LYS  20           3HZ      LYS  20   5.312  17.037 -14.227
  140    HZ2  LYS  20           1HZ      LYS  20   3.695  16.563 -14.079
  141    HZ3  LYS  20           2HZ      LYS  20   4.583  16.124 -15.448
  142    H    ALA  21           H        ALA  21   5.555   7.987 -13.005
  143    HA   ALA  21           HA       ALA  21   6.940   8.277 -15.535
  144    HB1  ALA  21           1HB      ALA  21   9.180   8.209 -14.479
  145    HB2  ALA  21           2HB      ALA  21   8.412   8.443 -12.909
  146    HB3  ALA  21           3HB      ALA  21   8.301   9.699 -14.140
  147    H    GLU  22           H        GLU  22   7.553   6.347 -16.334
  148    HA   GLU  22           HA       GLU  22   6.526   3.989 -15.193
  149    HB2  GLU  22           2HB      GLU  22   8.522   4.411 -17.412
  150    HB3  GLU  22           1HB      GLU  22   7.890   2.835 -16.968
  151    HG2  GLU  22           2HG      GLU  22   5.605   3.678 -17.445
  152    HG3  GLU  22           1HG      GLU  22   6.331   5.177 -18.029
  153    H    GLY  23           H        GLY  23   7.373   2.428 -13.971
  154    HA2  GLY  23           2HA      GLY  23   8.865   1.252 -12.685
  155    HA3  GLY  23           1HA      GLY  23  10.154   1.963 -13.642
  156    H    SER  24           H        SER  24   8.383   4.469 -12.425
  157    HA   SER  24           HA       SER  24  10.233   4.721 -10.149
  158    HB2  SER  24           2HB      SER  24   9.234   6.910 -11.984
  159    HB3  SER  24           1HB      SER  24  10.339   7.124 -10.625
  160    HG   SER  24           HG       SER  24  10.826   6.177 -13.164
  161    H    PHE  25           H        PHE  25   7.798   3.570  -9.728
  162    HA   PHE  25           HA       PHE  25   6.124   5.660  -8.573
  163    HB2  PHE  25           2HB      PHE  25   5.697   2.761  -9.168
  164    HB3  PHE  25           1HB      PHE  25   4.698   3.556  -7.955
  165    HD1  PHE  25           1HD      PHE  25   5.771   3.774 -11.505
  166    HD2  PHE  25           2HD      PHE  25   2.850   4.824  -8.593
  167    HE1  PHE  25           1HE      PHE  25   4.309   4.632 -13.286
  168    HE2  PHE  25           2HE      PHE  25   1.382   5.685 -10.371
  169    HZ   PHE  25           HZ       PHE  25   2.112   5.589 -12.722
  170    H    ASP  26           H        ASP  26   6.614   6.324  -6.621
  171    HA   ASP  26           HA       ASP  26   8.209   4.765  -4.827
  172    HB2  ASP  26           2HB      ASP  26   6.819   7.425  -4.599
  173    HB3  ASP  26           1HB      ASP  26   7.594   6.675  -3.209
  174    H    HIS  27           H        HIS  27   6.968   2.883  -4.564
  175    HA   HIS  27           HA       HIS  27   4.333   2.784  -3.639
  176    HB2  HIS  27           2HB      HIS  27   4.639   0.498  -3.487
  177    HB3  HIS  27           1HB      HIS  27   6.044   0.900  -4.459
  178    HD1  HIS  27           1HD      HIS  27   5.057  -0.330  -1.091
  179    HD2  HIS  27           2HD      HIS  27   8.529   0.680  -3.134
  180    HE1  HIS  27           1HE      HIS  27   6.948  -1.145   0.348
  181    HE2  HIS  27           2HE      HIS  27   9.039  -0.426  -0.853
  182    H    LYS  28           H        LYS  28   7.298   3.378  -2.055
  183    HA   LYS  28           HA       LYS  28   6.422   2.861   0.614
  184    HB2  LYS  28           2HB      LYS  28   8.791   2.844  -0.344
  185    HB3  LYS  28           1HB      LYS  28   8.692   4.597  -0.303
  186    HG2  LYS  28           2HG      LYS  28   8.348   4.508   2.129
  187    HG3  LYS  28           1HG      LYS  28   8.518   2.755   2.068
  188    HD2  LYS  28           2HD      LYS  28  10.784   3.127   1.027
  189    HD3  LYS  28           1HD      LYS  28  10.597   4.835   1.423
  190    HE2  LYS  28           2HE      LYS  28  11.863   3.848   3.174
  191    HE3  LYS  28           1HE      LYS  28  10.246   4.145   3.809
  192    HZ1  LYS  28           3HZ      LYS  28  11.271   1.534   2.829
  193    HZ2  LYS  28           1HZ      LYS  28   9.715   1.807   3.435
  194    HZ3  LYS  28           2HZ      LYS  28  11.058   1.967   4.447
  195    H    ALA  29           H        ALA  29   7.164   5.817  -1.228
  196    HA   ALA  29           HA       ALA  29   6.318   7.701   0.617
  197    HB1  ALA  29           1HB      ALA  29   6.073   7.887  -2.381
  198    HB2  ALA  29           2HB      ALA  29   7.526   8.249  -1.449
  199    HB3  ALA  29           3HB      ALA  29   6.078   9.235  -1.245
  200    H    PHE  30           H        PHE  30   4.474   5.781  -1.657
  201    HA   PHE  30           HA       PHE  30   2.018   7.120  -1.440
  202    HB2  PHE  30           2HB      PHE  30   2.511   5.461  -3.188
  203    HB3  PHE  30           1HB      PHE  30   2.567   4.187  -1.977
  204    HD1  PHE  30           1HD      PHE  30   0.361   6.591  -3.687
  205    HD2  PHE  30           2HD      PHE  30   0.592   3.146  -1.201
  206    HE1  PHE  30           1HE      PHE  30  -2.045   6.208  -4.002
  207    HE2  PHE  30           2HE      PHE  30  -1.818   2.756  -1.512
  208    HZ   PHE  30           HZ       PHE  30  -3.137   4.289  -2.916
  209    H    PHE  31           H        PHE  31   3.129   4.165   0.285
  210    HA   PHE  31           HA       PHE  31   0.792   3.920   1.831
  211    HB2  PHE  31           2HB      PHE  31   1.868   2.200   3.025
  212    HB3  PHE  31           1HB      PHE  31   2.570   2.158   1.435
  213    HD1  PHE  31           1HD      PHE  31   3.399   3.865   4.658
  214    HD2  PHE  31           2HD      PHE  31   4.709   1.574   1.330
  215    HE1  PHE  31           1HE      PHE  31   5.657   3.767   5.622
  216    HE2  PHE  31           2HE      PHE  31   6.973   1.484   2.278
  217    HZ   PHE  31           HZ       PHE  31   7.452   2.583   4.427
  218    H    THR  32           H        THR  32   3.670   5.742   2.280
  219    HA   THR  32           HA       THR  32   3.134   6.168   5.075
  220    HB   THR  32           HB       THR  32   5.369   5.681   4.066
  221    HG1  THR  32           1HG      THR  32   6.229   6.673   5.773
  222   HG21  THR  32          3HG2      THR  32   5.167   8.573   3.189
  223   HG22  THR  32          1HG2      THR  32   5.299   7.156   2.148
  224   HG23  THR  32          2HG2      THR  32   6.649   7.614   3.184
  225    H    LYS  33           H        LYS  33   2.535   7.801   2.093
  226    HA   LYS  33           HA       LYS  33   2.208  10.385   3.356
  227    HB2  LYS  33           2HB      LYS  33   2.072  11.278   1.242
  228    HB3  LYS  33           1HB      LYS  33   3.010   9.843   0.914
  229    HG2  LYS  33           2HG      LYS  33   1.471   9.057  -0.457
  230    HG3  LYS  33           1HG      LYS  33   0.185   9.328   0.719
  231    HD2  LYS  33           2HD      LYS  33   1.362  11.481  -1.035
  232    HD3  LYS  33           1HD      LYS  33  -0.105  10.583  -1.417
  233    HE2  LYS  33           2HE      LYS  33  -1.018  12.432  -0.423
  234    HE3  LYS  33           1HE      LYS  33  -0.827  11.387   0.981
  235    HZ1  LYS  33           3HZ      LYS  33   1.175  13.424   0.183
  236    HZ2  LYS  33           1HZ      LYS  33   1.105  12.568   1.640
  237    HZ3  LYS  33           2HZ      LYS  33  -0.070  13.727   1.285
  238    H    VAL  34           H        VAL  34   0.183   7.703   2.324
  239    HA   VAL  34           HA       VAL  34  -2.230   9.268   2.597
  240    HB   VAL  34           HB       VAL  34  -3.362   7.340   1.765
  241   HG11  VAL  34          1HG1      VAL  34  -0.805   7.669   0.238
  242   HG12  VAL  34          2HG1      VAL  34  -2.188   8.760   0.144
  243   HG13  VAL  34          3HG1      VAL  34  -2.341   7.090  -0.402
  244   HG21  VAL  34          3HG2      VAL  34  -2.185   5.611   2.994
  245   HG22  VAL  34          1HG2      VAL  34  -0.761   5.863   1.987
  246   HG23  VAL  34          2HG2      VAL  34  -2.245   5.231   1.272
  247    H    GLY  35           H        GLY  35  -0.257   7.523   4.648
  248    HA2  GLY  35           2HA      GLY  35  -0.600   7.123   6.921
  249    HA3  GLY  35           1HA      GLY  35  -2.309   7.455   6.695
  250    H    LEU  36           H        LEU  36  -0.564   5.186   4.682
  251    HA   LEU  36           HA       LEU  36  -2.495   3.149   5.392
  252    HB2  LEU  36           2HB      LEU  36  -1.623   3.688   3.040
  253    HB3  LEU  36           1HB      LEU  36  -0.172   2.825   3.510
  254    HG   LEU  36           HG       LEU  36  -1.618   0.819   3.971
  255   HD11  LEU  36          1HD1      LEU  36  -3.843   0.770   2.982
  256   HD12  LEU  36          2HD1      LEU  36  -3.694   2.470   2.536
  257   HD13  LEU  36          3HD1      LEU  36  -3.741   2.004   4.235
  258   HD21  LEU  36          3HD2      LEU  36  -1.872   0.237   1.601
  259   HD22  LEU  36          1HD2      LEU  36  -0.317   1.007   1.925
  260   HD23  LEU  36          2HD2      LEU  36  -1.615   1.927   1.166
  261    H    ALA  37           H        ALA  37   0.648   4.032   6.360
  262    HA   ALA  37           HA       ALA  37   1.529   1.365   7.053
  263    HB1  ALA  37           1HB      ALA  37   3.518   2.429   7.887
  264    HB2  ALA  37           2HB      ALA  37   2.749   4.011   7.821
  265    HB3  ALA  37           3HB      ALA  37   3.099   3.142   6.328
  266    H    ALA  38           H        ALA  38  -0.614   3.490   8.384
  267    HA   ALA  38           HA       ALA  38  -0.170   2.433  11.096
  268    HB1  ALA  38           1HB      ALA  38  -1.366   4.409  11.928
  269    HB2  ALA  38           2HB      ALA  38  -1.541   4.995  10.274
  270    HB3  ALA  38           3HB      ALA  38   0.062   4.861  10.998
  271    H    LYS  39           H        LYS  39  -1.467   0.921   9.134
  272    HA   LYS  39           HA       LYS  39  -4.329   1.311   9.574
  273    HB2  LYS  39           2HB      LYS  39  -2.798  -0.360   7.596
  274    HB3  LYS  39           1HB      LYS  39  -4.546  -0.457   7.775
  275    HG2  LYS  39           2HG      LYS  39  -2.932   1.945   6.943
  276    HG3  LYS  39           1HG      LYS  39  -4.021   0.984   5.938
  277    HD2  LYS  39           2HD      LYS  39  -5.845   1.612   7.596
  278    HD3  LYS  39           1HD      LYS  39  -4.713   2.810   8.221
  279    HE2  LYS  39           2HE      LYS  39  -4.673   3.978   6.167
  280    HE3  LYS  39           1HE      LYS  39  -5.483   2.657   5.321
  281    HZ1  LYS  39           3HZ      LYS  39  -7.042   4.409   5.757
  282    HZ2  LYS  39           1HZ      LYS  39  -6.671   4.395   7.410
  283    HZ3  LYS  39           2HZ      LYS  39  -7.445   3.062   6.709
  284    H    SER  40           H        SER  40  -5.637  -0.102  10.513
  285    HA   SER  40           HA       SER  40  -4.520  -2.209  12.127
  286    HB2  SER  40           2HB      SER  40  -7.431  -1.501  11.676
  287    HB3  SER  40           1HB      SER  40  -6.753  -2.403  13.030
  288    HG   SER  40           HG       SER  40  -5.715  -0.528  13.720
  289    HA   PRO  41           HA       PRO  41  -4.887  -5.804   9.616
  290    HB2  PRO  41           2HB      PRO  41  -7.004  -6.748  11.510
  291    HB3  PRO  41           1HB      PRO  41  -5.607  -7.618  10.862
  292    HG2  PRO  41           2HG      PRO  41  -5.541  -6.636  13.326
  293    HG3  PRO  41           1HG      PRO  41  -4.112  -6.542  12.279
  294    HD2  PRO  41           2HD      PRO  41  -6.004  -4.401  13.102
  295    HD3  PRO  41           1HD      PRO  41  -4.275  -4.297  12.718
  296    H    ALA  42           H        ALA  42  -8.116  -4.776  10.766
  297    HA   ALA  42           HA       ALA  42  -9.548  -5.972   8.650
  298    HB1  ALA  42           1HB      ALA  42 -10.562  -5.329  10.791
  299    HB2  ALA  42           2HB      ALA  42 -11.441  -4.671   9.411
  300    HB3  ALA  42           3HB      ALA  42 -10.376  -3.629  10.356
  301    H    ASP  43           H        ASP  43  -7.937  -2.899   8.930
  302    HA   ASP  43           HA       ASP  43  -9.224  -1.698   6.658
  303    HB2  ASP  43           2HB      ASP  43  -8.168  -0.453   8.593
  304    HB3  ASP  43           1HB      ASP  43  -6.602  -0.890   7.927
  305    H    ILE  44           H        ILE  44  -6.034  -3.117   7.323
  306    HA   ILE  44           HA       ILE  44  -5.100  -3.044   4.667
  307    HB   ILE  44           HB       ILE  44  -4.361  -4.751   7.031
  308   HG12  ILE  44          2HG1      ILE  44  -3.642  -2.487   7.223
  309   HG13  ILE  44          1HG1      ILE  44  -2.224  -3.449   6.816
  310   HG21  ILE  44          1HG2      ILE  44  -3.033  -4.814   4.322
  311   HG22  ILE  44          2HG2      ILE  44  -3.955  -6.127   5.057
  312   HG23  ILE  44          3HG2      ILE  44  -2.435  -5.603   5.783
  313   HD11  ILE  44          3HD1      ILE  44  -3.789  -1.649   4.989
  314   HD12  ILE  44          1HD1      ILE  44  -2.514  -2.741   4.450
  315   HD13  ILE  44          2HD1      ILE  44  -2.139  -1.432   5.570
  316    H    LYS  45           H        LYS  45  -7.356  -5.112   6.275
  317    HA   LYS  45           HA       LYS  45  -7.343  -7.250   4.410
  318    HB2  LYS  45           2HB      LYS  45  -8.374  -7.296   6.708
  319    HB3  LYS  45           1HB      LYS  45  -9.688  -6.318   6.067
  320    HG2  LYS  45           2HG      LYS  45 -10.387  -8.591   6.075
  321    HG3  LYS  45           1HG      LYS  45 -10.121  -8.108   4.401
  322    HD2  LYS  45           2HD      LYS  45  -7.871  -9.150   4.510
  323    HD3  LYS  45           1HD      LYS  45  -8.254  -9.725   6.134
  324    HE2  LYS  45           2HE      LYS  45  -9.712 -10.424   3.595
  325    HE3  LYS  45           1HE      LYS  45  -8.618 -11.476   4.489
  326    HZ1  LYS  45           3HZ      LYS  45 -11.268 -10.474   5.370
  327    HZ2  LYS  45           1HZ      LYS  45 -10.181 -11.259   6.401
  328    HZ3  LYS  45           2HZ      LYS  45 -10.819 -12.076   5.068
  329    H    LYS  46           H        LYS  46  -9.276  -4.234   4.610
  330    HA   LYS  46           HA       LYS  46 -10.626  -4.852   2.166
  331    HB2  LYS  46           2HB      LYS  46 -11.481  -2.578   2.184
  332    HB3  LYS  46           1HB      LYS  46 -11.649  -3.303   3.767
  333    HG2  LYS  46           2HG      LYS  46 -10.990  -1.140   4.228
  334    HG3  LYS  46           1HG      LYS  46  -9.489  -2.052   4.354
  335    HD2  LYS  46           2HD      LYS  46  -9.170   0.059   3.149
  336    HD3  LYS  46           1HD      LYS  46  -8.840  -1.332   2.119
  337    HE2  LYS  46           2HE      LYS  46 -10.125   0.447   0.980
  338    HE3  LYS  46           1HE      LYS  46 -10.969  -1.096   1.026
  339    HZ1  LYS  46           3HZ      LYS  46 -11.474   1.217   2.814
  340    HZ2  LYS  46           1HZ      LYS  46 -12.274  -0.270   2.897
  341    HZ3  LYS  46           2HZ      LYS  46 -12.458   0.715   1.535
  342    H    VAL  47           H        VAL  47  -7.615  -3.368   3.020
  343    HA   VAL  47           HA       VAL  47  -6.942  -2.356   0.474
  344    HB   VAL  47           HB       VAL  47  -5.116  -3.418   2.638
  345   HG11  VAL  47          1HG1      VAL  47  -4.484  -1.711   0.234
  346   HG12  VAL  47          2HG1      VAL  47  -3.975  -3.381   0.492
  347   HG13  VAL  47          3HG1      VAL  47  -3.363  -2.099   1.539
  348   HG21  VAL  47          3HG2      VAL  47  -6.487  -1.550   3.388
  349   HG22  VAL  47          1HG2      VAL  47  -5.993  -0.606   1.983
  350   HG23  VAL  47          2HG2      VAL  47  -4.806  -1.052   3.207
  351    H    PHE  48           H        PHE  48  -6.634  -5.576   1.932
  352    HA   PHE  48           HA       PHE  48  -5.433  -6.982  -0.110
  353    HB2  PHE  48           2HB      PHE  48  -5.961  -8.509   1.471
  354    HB3  PHE  48           1HB      PHE  48  -7.361  -7.599   2.009
  355    HD1  PHE  48           1HD      PHE  48  -6.284  -9.806  -0.817
  356    HD2  PHE  48           2HD      PHE  48  -9.447  -8.507   1.714
  357    HE1  PHE  48           1HE      PHE  48  -7.766 -11.498  -1.804
  358    HE2  PHE  48           2HE      PHE  48 -10.936 -10.195   0.724
  359    HZ   PHE  48           HZ       PHE  48 -10.097 -11.695  -1.035
  360    H    GLU  49           H        GLU  49  -8.834  -6.038   0.155
  361    HA   GLU  49           HA       GLU  49  -9.674  -7.059  -2.324
  362    HB2  GLU  49           2HB      GLU  49 -10.757  -4.646  -0.870
  363    HB3  GLU  49           1HB      GLU  49 -11.594  -5.575  -2.105
  364    HG2  GLU  49           2HG      GLU  49 -11.586  -7.529  -0.629
  365    HG3  GLU  49           1HG      GLU  49 -10.769  -6.577   0.610
  366    H    ILE  50           H        ILE  50  -7.870  -4.200  -1.530
  367    HA   ILE  50           HA       ILE  50  -8.288  -2.729  -3.890
  368    HB   ILE  50           HB       ILE  50  -6.048  -2.786  -1.886
  369   HG12  ILE  50          2HG1      ILE  50  -7.034  -1.020  -0.920
  370   HG13  ILE  50          1HG1      ILE  50  -7.448  -0.266  -2.451
  371   HG21  ILE  50          1HG2      ILE  50  -5.142  -0.746  -2.996
  372   HG22  ILE  50          2HG2      ILE  50  -6.166  -1.121  -4.384
  373   HG23  ILE  50          3HG2      ILE  50  -4.905  -2.249  -3.884
  374   HD11  ILE  50          3HD1      ILE  50  -8.946  -2.536  -1.190
  375   HD12  ILE  50          1HD1      ILE  50  -9.426  -1.605  -2.607
  376   HD13  ILE  50          2HD1      ILE  50  -9.379  -0.832  -1.021
  377    H    ILE  51           H        ILE  51  -5.500  -4.863  -3.081
  378    HA   ILE  51           HA       ILE  51  -4.476  -4.675  -5.754
  379    HB   ILE  51           HB       ILE  51  -2.982  -6.695  -5.044
  380   HG12  ILE  51          2HG1      ILE  51  -4.637  -6.991  -2.955
  381   HG13  ILE  51          1HG1      ILE  51  -2.925  -7.373  -2.818
  382   HG21  ILE  51          1HG2      ILE  51  -2.781  -3.999  -3.709
  383   HG22  ILE  51          2HG2      ILE  51  -2.159  -4.464  -5.293
  384   HG23  ILE  51          3HG2      ILE  51  -1.476  -5.178  -3.832
  385   HD11  ILE  51          3HD1      ILE  51  -2.582  -5.091  -1.861
  386   HD12  ILE  51          1HD1      ILE  51  -3.587  -6.159  -0.883
  387   HD13  ILE  51          2HD1      ILE  51  -4.335  -4.887  -1.848
  388    H    ASP  52           H        ASP  52  -6.549  -6.857  -4.014
  389    HA   ASP  52           HA       ASP  52  -6.574  -8.803  -6.143
  390    HB2  ASP  52           2HB      ASP  52  -7.099  -9.090  -3.536
  391    HB3  ASP  52           1HB      ASP  52  -8.736  -8.720  -4.076
  392    H    GLN  53           H        GLN  53  -7.111  -7.100  -7.768
  393    HA   GLN  53           HA       GLN  53  -9.404  -5.590  -7.973
  394    HB2  GLN  53           2HB      GLN  53  -7.664  -5.466  -9.641
  395    HB3  GLN  53           1HB      GLN  53  -7.911  -7.143 -10.097
  396    HG2  GLN  53           2HG      GLN  53  -8.867  -5.818 -11.801
  397    HG3  GLN  53           1HG      GLN  53 -10.204  -6.498 -10.875
  398   HE21  GLN  53          1HE2      GLN  53 -11.614  -4.882 -11.546
  399   HE22  GLN  53          2HE2      GLN  53 -11.508  -3.262 -10.951
  400    H    ASP  54           H        ASP  54  -8.927  -8.921  -8.875
  401    HA   ASP  54           HA       ASP  54 -11.716  -9.363  -9.547
  402    HB2  ASP  54           2HB      ASP  54 -10.089 -10.431 -10.936
  403    HB3  ASP  54           1HB      ASP  54  -9.250 -11.108  -9.551
  404    H    LYS  55           H        LYS  55  -9.876  -9.385  -6.770
  405    HA   LYS  55           HA       LYS  55 -10.090 -10.200  -4.671
  406    HB2  LYS  55           2HB      LYS  55 -12.326  -9.702  -3.679
  407    HB3  LYS  55           1HB      LYS  55 -11.554  -8.380  -4.533
  408    HG2  LYS  55           2HG      LYS  55 -13.013  -9.051  -6.520
  409    HG3  LYS  55           1HG      LYS  55 -13.929 -10.007  -5.351
  410    HD2  LYS  55           2HD      LYS  55 -13.359  -7.060  -5.125
  411    HD3  LYS  55           1HD      LYS  55 -14.882  -7.753  -5.692
  412    HE2  LYS  55           2HE      LYS  55 -13.659  -8.161  -2.961
  413    HE3  LYS  55           1HE      LYS  55 -14.989  -7.068  -3.334
  414    HZ1  LYS  55           3HZ      LYS  55 -15.880  -9.072  -2.442
  415    HZ2  LYS  55           1HZ      LYS  55 -15.006 -10.029  -3.529
  416    HZ3  LYS  55           2HZ      LYS  55 -16.256  -9.040  -4.089
  417    H    SER  56           H        SER  56  -9.589 -12.373  -5.511
  418    HA   SER  56           HA       SER  56 -11.736 -14.233  -4.748
  419    HB2  SER  56           2HB      SER  56  -9.592 -14.766  -6.814
  420    HB3  SER  56           1HB      SER  56 -10.963 -15.801  -6.414
  421    HG   SER  56           HG       SER  56 -10.900 -13.925  -8.241
  422    H    ASP  57           H        ASP  57  -9.631 -12.969  -3.176
  423    HA   ASP  57           HA       ASP  57  -8.323 -13.496  -1.408
  424    HB2  ASP  57           2HB      ASP  57  -9.098 -16.338  -2.077
  425    HB3  ASP  57           1HB      ASP  57  -8.115 -15.896  -0.687
  426    H    PHE  58           H        PHE  58  -7.545 -13.787  -4.416
  427    HA   PHE  58           HA       PHE  58  -4.745 -14.354  -3.862
  428    HB2  PHE  58           2HB      PHE  58  -6.359 -15.767  -5.992
  429    HB3  PHE  58           1HB      PHE  58  -4.603 -15.675  -6.029
  430    HD1  PHE  58           2HD      PHE  58  -3.264 -16.820  -4.320
  431    HD2  PHE  58           1HD      PHE  58  -7.494 -17.237  -4.494
  432    HE1  PHE  58           2HE      PHE  58  -3.124 -18.806  -2.874
  433    HE2  PHE  58           1HE      PHE  58  -7.363 -19.221  -3.046
  434    HZ   PHE  58           HZ       PHE  58  -5.176 -20.008  -2.235
  435    H    VAL  59           H        VAL  59  -3.472 -12.896  -4.807
  436    HA   VAL  59           HA       VAL  59  -4.772 -10.964  -6.609
  437    HB   VAL  59           HB       VAL  59  -2.535 -10.541  -4.648
  438   HG11  VAL  59          1HG1      VAL  59  -2.642  -9.114  -6.746
  439   HG12  VAL  59          2HG1      VAL  59  -2.521  -8.331  -5.178
  440   HG13  VAL  59          3HG1      VAL  59  -4.076  -8.397  -6.001
  441   HG21  VAL  59          3HG2      VAL  59  -4.611 -10.962  -3.492
  442   HG22  VAL  59          1HG2      VAL  59  -5.425  -9.754  -4.485
  443   HG23  VAL  59          2HG2      VAL  59  -4.167  -9.261  -3.353
  444    H    GLU  60           H        GLU  60  -4.114 -11.572  -8.634
  445    HA   GLU  60           HA       GLU  60  -1.305 -12.258  -9.083
  446    HB2  GLU  60           2HB      GLU  60  -3.641 -12.304 -11.000
  447    HB3  GLU  60           1HB      GLU  60  -2.025 -12.919 -11.326
  448    HG2  GLU  60           2HG      GLU  60  -2.298 -14.569  -9.544
  449    HG3  GLU  60           1HG      GLU  60  -3.923 -13.960  -9.238
  450    H    GLU  61           H        GLU  61  -0.422 -11.384 -11.295
  451    HA   GLU  61           HA       GLU  61  -0.084  -8.594 -11.033
  452    HB2  GLU  61           2HB      GLU  61   1.677  -9.839 -12.021
  453    HB3  GLU  61           1HB      GLU  61   0.605 -10.533 -13.225
  454    HG2  GLU  61           2HG      GLU  61   0.339  -8.303 -14.236
  455    HG3  GLU  61           1HG      GLU  61   1.499  -7.662 -13.073
  456    H    ASP  62           H        ASP  62  -2.120 -10.549 -13.141
  457    HA   ASP  62           HA       ASP  62  -3.105  -8.676 -14.914
  458    HB2  ASP  62           2HB      ASP  62  -4.549 -10.942 -13.529
  459    HB3  ASP  62           1HB      ASP  62  -5.275  -9.988 -14.814
  460    H    GLU  63           H        GLU  63  -3.714  -9.053 -11.545
  461    HA   GLU  63           HA       GLU  63  -6.001  -7.293 -11.521
  462    HB2  GLU  63           2HB      GLU  63  -4.494  -8.668  -9.294
  463    HB3  GLU  63           1HB      GLU  63  -6.006  -7.781  -9.108
  464    HG2  GLU  63           2HG      GLU  63  -7.088  -9.324 -10.671
  465    HG3  GLU  63           1HG      GLU  63  -5.587 -10.242 -10.782
  466    H    LEU  64           H        LEU  64  -2.628  -7.263 -10.451
  467    HA   LEU  64           HA       LEU  64  -2.591  -4.765  -9.217
  468    HB2  LEU  64           2HB      LEU  64  -0.539  -6.478 -10.519
  469    HB3  LEU  64           1HB      LEU  64  -0.121  -4.808 -10.203
  470    HG   LEU  64           HG       LEU  64   0.666  -6.268  -8.425
  471   HD11  LEU  64          1HD1      LEU  64  -0.210  -5.069  -6.527
  472   HD12  LEU  64          2HD1      LEU  64  -1.599  -4.536  -7.473
  473   HD13  LEU  64          3HD1      LEU  64   0.018  -3.967  -7.885
  474   HD21  LEU  64          3HD2      LEU  64  -2.235  -6.934  -7.985
  475   HD22  LEU  64          1HD2      LEU  64  -0.896  -7.421  -6.948
  476   HD23  LEU  64          2HD2      LEU  64  -0.998  -8.031  -8.600
  477    H    LYS  65           H        LYS  65  -2.940  -5.580 -12.516
  478    HA   LYS  65           HA       LYS  65  -1.946  -3.198 -13.628
  479    HB2  LYS  65           2HB      LYS  65  -3.926  -5.221 -14.630
  480    HB3  LYS  65           1HB      LYS  65  -3.497  -3.797 -15.568
  481    HG2  LYS  65           2HG      LYS  65  -1.710  -6.059 -14.724
  482    HG3  LYS  65           1HG      LYS  65  -2.156  -5.564 -16.361
  483    HD2  LYS  65           2HD      LYS  65  -1.037  -3.338 -15.815
  484    HD3  LYS  65           1HD      LYS  65  -0.371  -4.155 -14.401
  485    HE2  LYS  65           2HE      LYS  65   1.113  -4.055 -16.409
  486    HE3  LYS  65           1HE      LYS  65   0.864  -5.663 -15.722
  487    HZ1  LYS  65           3HZ      LYS  65   0.740  -5.691 -18.133
  488    HZ2  LYS  65           1HZ      LYS  65  -0.519  -4.562 -18.112
  489    HZ3  LYS  65           2HZ      LYS  65  -0.754  -6.105 -17.464
  490    H    LEU  66           H        LEU  66  -5.336  -4.136 -12.983
  491    HA   LEU  66           HA       LEU  66  -6.004  -1.292 -13.230
  492    HB2  LEU  66           2HB      LEU  66  -7.805  -3.704 -13.389
  493    HB3  LEU  66           1HB      LEU  66  -8.347  -2.039 -13.498
  494    HG   LEU  66           HG       LEU  66  -8.235  -2.588 -15.720
  495   HD11  LEU  66          1HD1      LEU  66  -5.436  -1.642 -15.092
  496   HD12  LEU  66          2HD1      LEU  66  -6.849  -0.634 -15.412
  497   HD13  LEU  66          3HD1      LEU  66  -6.176  -1.639 -16.694
  498   HD21  LEU  66          3HD2      LEU  66  -7.429  -4.845 -15.450
  499   HD22  LEU  66          1HD2      LEU  66  -5.799  -4.256 -15.125
  500   HD23  LEU  66          2HD2      LEU  66  -6.515  -4.034 -16.719
  501    H    PHE  67           H        PHE  67  -5.153  -3.245 -10.827
  502    HA   PHE  67           HA       PHE  67  -7.172  -3.036  -8.894
  503    HB2  PHE  67           2HB      PHE  67  -5.649  -3.877  -7.429
  504    HB3  PHE  67           1HB      PHE  67  -4.718  -4.167  -8.888
  505    HD1  PHE  67           1HD      PHE  67  -2.792  -2.746  -9.422
  506    HD2  PHE  67           2HD      PHE  67  -4.979  -2.257  -5.820
  507    HE1  PHE  67           1HE      PHE  67  -0.931  -1.452  -8.475
  508    HE2  PHE  67           2HE      PHE  67  -3.125  -0.956  -4.861
  509    HZ   PHE  67           HZ       PHE  67  -1.093  -0.553  -6.189
  510    H    LEU  68           H        LEU  68  -4.968  -0.735 -10.205
  511    HA   LEU  68           HA       LEU  68  -5.026   1.304  -8.305
  512    HB2  LEU  68           2HB      LEU  68  -4.911   1.522 -11.316
  513    HB3  LEU  68           1HB      LEU  68  -4.592   2.840 -10.218
  514    HG   LEU  68           HG       LEU  68  -2.505   2.081 -10.997
  515   HD11  LEU  68          1HD1      LEU  68  -1.381   1.304  -8.974
  516   HD12  LEU  68          2HD1      LEU  68  -2.944   0.934  -8.249
  517   HD13  LEU  68          3HD1      LEU  68  -2.523   2.604  -8.634
  518   HD21  LEU  68          3HD2      LEU  68  -3.322  -0.116 -11.814
  519   HD22  LEU  68          1HD2      LEU  68  -3.226  -0.716 -10.157
  520   HD23  LEU  68          2HD2      LEU  68  -1.763  -0.191 -10.987
  521    H    GLN  69           H        GLN  69  -7.039   0.869 -11.178
  522    HA   GLN  69           HA       GLN  69  -8.768   3.036 -10.726
  523    HB2  GLN  69           2HB      GLN  69  -9.402   0.442 -12.147
  524    HB3  GLN  69           1HB      GLN  69 -10.234   1.976 -12.351
  525    HG2  GLN  69           2HG      GLN  69  -8.243   2.952 -13.333
  526    HG3  GLN  69           1HG      GLN  69  -7.359   1.445 -13.071
  527   HE21  GLN  69          1HE2      GLN  69  -7.975   2.899 -15.554
  528   HE22  GLN  69          2HE2      GLN  69  -8.805   1.760 -16.562
  529    H    ASN  70           H        ASN  70  -8.507  -0.045  -9.298
  530    HA   ASN  70           HA       ASN  70 -11.229  -0.303  -8.412
  531    HB2  ASN  70           2HB      ASN  70  -9.827  -2.271  -8.712
  532    HB3  ASN  70           1HB      ASN  70  -8.682  -1.667  -7.523
  533   HD21  ASN  70          1HD2      ASN  70  -8.855  -3.439  -6.242
  534   HD22  ASN  70          2HD2      ASN  70 -10.260  -3.788  -5.299
  535    H    PHE  71           H        PHE  71  -8.218   0.896  -7.074
  536    HA   PHE  71           HA       PHE  71  -9.401   1.412  -4.489
  537    HB2  PHE  71           2HB      PHE  71  -7.006   0.670  -4.870
  538    HB3  PHE  71           1HB      PHE  71  -6.691   2.277  -5.506
  539    HD1  PHE  71           1HD      PHE  71  -8.878   1.550  -2.611
  540    HD2  PHE  71           2HD      PHE  71  -5.079   2.944  -3.927
  541    HE1  PHE  71           1HE      PHE  71  -8.373   2.308  -0.332
  542    HE2  PHE  71           2HE      PHE  71  -4.572   3.708  -1.644
  543    HZ   PHE  71           HZ       PHE  71  -6.217   3.390   0.155
  544    H    SER  72           H        SER  72  -8.252   3.249  -7.278
  545    HA   SER  72           HA       SER  72 -10.044   5.425  -6.611
  546    HB2  SER  72           2HB      SER  72  -7.056   5.880  -6.854
  547    HB3  SER  72           1HB      SER  72  -8.278   7.144  -6.720
  548    HG   SER  72           HG       SER  72  -8.660   5.422  -4.736
  549    H    ALA  73           H        ALA  73 -10.752   6.485  -8.409
  550    HA   ALA  73           HA       ALA  73 -10.423   5.072 -10.854
  551    HB1  ALA  73           1HB      ALA  73 -11.863   7.672 -10.361
  552    HB2  ALA  73           2HB      ALA  73 -12.556   6.062 -10.163
  553    HB3  ALA  73           3HB      ALA  73 -12.053   6.615 -11.760
  554    H    GLY  74           H        GLY  74  -8.881   7.864  -9.532
  555    HA2  GLY  74           2HA      GLY  74  -7.877   8.654 -12.178
  556    HA3  GLY  74           1HA      GLY  74  -7.768   9.614 -10.711
  557    H    ALA  75           H        ALA  75  -6.989   6.238 -10.676
  558    HA   ALA  75           HA       ALA  75  -4.243   6.902  -9.974
  559    HB1  ALA  75           1HB      ALA  75  -5.759   4.303  -9.831
  560    HB2  ALA  75           2HB      ALA  75  -5.433   5.407  -8.496
  561    HB3  ALA  75           3HB      ALA  75  -4.104   4.546  -9.272
  562    H    ARG  76           H        ARG  76  -2.455   5.735 -10.911
  563    HA   ARG  76           HA       ARG  76  -2.804   5.463 -13.785
  564    HB2  ARG  76           2HB      ARG  76  -0.235   5.600 -12.206
  565    HB3  ARG  76           1HB      ARG  76  -0.416   5.797 -13.942
  566    HG2  ARG  76           2HG      ARG  76  -1.562   7.656 -11.872
  567    HG3  ARG  76           1HG      ARG  76  -0.049   7.916 -12.742
  568    HD2  ARG  76           2HD      ARG  76  -2.738   7.587 -14.056
  569    HD3  ARG  76           1HD      ARG  76  -1.991   9.137 -13.685
  570    HE   ARG  76           HE       ARG  76  -0.077   7.970 -15.134
  571   HH11  ARG  76          1HH1      ARG  76  -3.524   8.223 -15.710
  572   HH12  ARG  76          2HH1      ARG  76  -3.357   8.248 -17.437
  573   HH21  ARG  76          1HH2      ARG  76   0.146   8.004 -17.398
  574   HH22  ARG  76          2HH2      ARG  76  -1.267   8.127 -18.401
  575    H    ALA  77           H        ALA  77  -2.725   3.513 -14.775
  576    HA   ALA  77           HA       ALA  77  -2.468   1.105 -13.328
  577    HB1  ALA  77           1HB      ALA  77  -3.738   1.093 -15.365
  578    HB2  ALA  77           2HB      ALA  77  -2.359   0.004 -15.567
  579    HB3  ALA  77           3HB      ALA  77  -2.332   1.611 -16.297
  580    H    LEU  78           H        LEU  78  -0.781  -0.102 -12.823
  581    HA   LEU  78           HA       LEU  78   1.867   0.899 -13.365
  582    HB2  LEU  78           2HB      LEU  78   1.029  -1.602 -11.898
  583    HB3  LEU  78           1HB      LEU  78   2.611  -0.845 -11.848
  584    HG   LEU  78           HG       LEU  78   0.050   0.275 -10.712
  585   HD11  LEU  78          1HD1      LEU  78   2.572  -0.675  -9.373
  586   HD12  LEU  78          2HD1      LEU  78   1.034  -1.536  -9.408
  587   HD13  LEU  78          3HD1      LEU  78   1.160   0.010  -8.569
  588   HD21  LEU  78          3HD2      LEU  78   1.461   2.091  -9.833
  589   HD22  LEU  78          1HD2      LEU  78   1.381   2.093 -11.595
  590   HD23  LEU  78          2HD2      LEU  78   2.815   1.472 -10.775
  591    H    SER  79           H        SER  79   3.007   0.328 -15.101
  592    HA   SER  79           HA       SER  79   2.350  -2.236 -16.382
  593    HB2  SER  79           2HB      SER  79   2.965  -0.965 -18.545
  594    HB3  SER  79           1HB      SER  79   1.399  -0.633 -17.805
  595    HG   SER  79           HG       SER  79   3.342   0.973 -16.777
  596    H    ASP  80           H        ASP  80   3.966  -3.574 -16.758
  597    HA   ASP  80           HA       ASP  80   6.028  -4.438 -17.081
  598    HB2  ASP  80           2HB      ASP  80   6.357  -1.703 -18.207
  599    HB3  ASP  80           1HB      ASP  80   7.792  -2.697 -17.982
  600    H    ALA  81           H        ALA  81   7.423  -1.326 -16.265
  601    HA   ALA  81           HA       ALA  81   9.177  -2.775 -14.538
  602    HB1  ALA  81           1HB      ALA  81  10.047  -1.030 -15.995
  603    HB2  ALA  81           2HB      ALA  81  10.390  -0.663 -14.305
  604    HB3  ALA  81           3HB      ALA  81   9.085   0.178 -15.143
  605    H    GLU  82           H        GLU  82   6.723  -0.218 -14.036
  606    HA   GLU  82           HA       GLU  82   7.277  -0.042 -11.255
  607    HB2  GLU  82           2HB      GLU  82   5.182   1.243 -11.117
  608    HB3  GLU  82           1HB      GLU  82   6.275   1.848 -12.342
  609    HG2  GLU  82           2HG      GLU  82   4.176  -0.069 -13.173
  610    HG3  GLU  82           1HG      GLU  82   3.690   1.572 -12.759
  611    H    THR  83           H        THR  83   5.072  -2.036 -13.146
  612    HA   THR  83           HA       THR  83   3.704  -3.107 -10.910
  613    HB   THR  83           HB       THR  83   4.202  -5.003 -13.090
  614    HG1  THR  83           1HG      THR  83   2.522  -2.992 -13.951
  615   HG21  THR  83          3HG2      THR  83   2.409  -5.288 -11.454
  616   HG22  THR  83          1HG2      THR  83   1.750  -5.119 -13.082
  617   HG23  THR  83          2HG2      THR  83   1.694  -3.759 -11.961
  618    H    LYS  84           H        LYS  84   6.663  -3.989 -12.614
  619    HA   LYS  84           HA       LYS  84   7.185  -6.416 -11.330
  620    HB2  LYS  84           2HB      LYS  84   8.284  -5.562 -13.407
  621    HB3  LYS  84           1HB      LYS  84   9.207  -4.444 -12.416
  622    HG2  LYS  84           2HG      LYS  84  10.571  -6.339 -12.957
  623    HG3  LYS  84           1HG      LYS  84  10.198  -6.378 -11.234
  624    HD2  LYS  84           2HD      LYS  84   8.552  -8.082 -11.556
  625    HD3  LYS  84           1HD      LYS  84   8.657  -7.927 -13.310
  626    HE2  LYS  84           2HE      LYS  84  10.872  -8.868 -11.494
  627    HE3  LYS  84           1HE      LYS  84   9.846  -9.908 -12.479
  628    HZ1  LYS  84           3HZ      LYS  84  11.955  -9.505 -13.560
  629    HZ2  LYS  84           1HZ      LYS  84  11.709  -7.833 -13.501
  630    HZ3  LYS  84           2HZ      LYS  84  10.707  -8.801 -14.457
  631    H    VAL  85           H        VAL  85   8.517  -3.183 -10.630
  632    HA   VAL  85           HA       VAL  85   9.939  -4.006  -8.321
  633    HB   VAL  85           HB       VAL  85   8.969  -1.224  -9.005
  634   HG11  VAL  85          1HG1      VAL  85  10.833  -0.480  -7.592
  635   HG12  VAL  85          2HG1      VAL  85  11.186  -2.158  -7.183
  636   HG13  VAL  85          3HG1      VAL  85   9.659  -1.430  -6.683
  637   HG21  VAL  85          3HG2      VAL  85  11.583  -2.571  -9.676
  638   HG22  VAL  85          1HG2      VAL  85  11.175  -0.887 -10.000
  639   HG23  VAL  85          2HG2      VAL  85  10.297  -2.180 -10.817
  640    H    PHE  86           H        PHE  86   6.772  -2.496  -8.776
  641    HA   PHE  86           HA       PHE  86   6.144  -2.091  -6.083
  642    HB2  PHE  86           2HB      PHE  86   4.942  -1.074  -7.994
  643    HB3  PHE  86           1HB      PHE  86   4.261  -2.637  -8.387
  644    HD1  PHE  86           1HD      PHE  86   4.210   0.160  -6.033
  645    HD2  PHE  86           2HD      PHE  86   2.464  -3.581  -7.057
  646    HE1  PHE  86           1HE      PHE  86   2.339   0.623  -4.507
  647    HE2  PHE  86           2HE      PHE  86   0.588  -3.125  -5.532
  648    HZ   PHE  86           HZ       PHE  86   0.523  -1.020  -4.255
  649    H    LEU  87           H        LEU  87   5.544  -4.880  -8.209
  650    HA   LEU  87           HA       LEU  87   4.136  -6.431  -6.333
  651    HB2  LEU  87           2HB      LEU  87   5.849  -7.193  -8.688
  652    HB3  LEU  87           1HB      LEU  87   5.056  -8.395  -7.690
  653    HG   LEU  87           HG       LEU  87   3.615  -6.225  -9.219
  654   HD11  LEU  87          1HD1      LEU  87   4.699  -7.815 -10.722
  655   HD12  LEU  87          2HD1      LEU  87   2.946  -8.000 -10.748
  656   HD13  LEU  87          3HD1      LEU  87   3.941  -9.153  -9.859
  657   HD21  LEU  87          3HD2      LEU  87   2.252  -6.848  -7.402
  658   HD22  LEU  87          1HD2      LEU  87   2.686  -8.551  -7.555
  659   HD23  LEU  87          2HD2      LEU  87   1.663  -7.792  -8.769
  660    H    LYS  88           H        LYS  88   7.594  -6.430  -7.183
  661    HA   LYS  88           HA       LYS  88   8.334  -8.396  -5.312
  662    HB2  LYS  88           2HB      LYS  88   9.949  -6.266  -6.706
  663    HB3  LYS  88           1HB      LYS  88  10.665  -7.484  -5.660
  664    HG2  LYS  88           2HG      LYS  88   9.075  -8.067  -8.144
  665    HG3  LYS  88           1HG      LYS  88  10.836  -8.064  -8.032
  666    HD2  LYS  88           2HD      LYS  88  10.593  -9.780  -6.199
  667    HD3  LYS  88           1HD      LYS  88   8.896  -9.909  -6.658
  668    HE2  LYS  88           2HE      LYS  88  10.102 -11.659  -7.761
  669    HE3  LYS  88           1HE      LYS  88   9.627 -10.469  -8.969
  670    HZ1  LYS  88           3HZ      LYS  88  11.839  -9.590  -8.983
  671    HZ2  LYS  88           1HZ      LYS  88  11.935 -11.262  -9.208
  672    HZ3  LYS  88           2HZ      LYS  88  12.307 -10.588  -7.705
  673    H    ALA  89           H        ALA  89   7.627  -5.068  -4.870
  674    HA   ALA  89           HA       ALA  89   9.098  -4.496  -2.558
  675    HB1  ALA  89           1HB      ALA  89   6.313  -3.584  -3.287
  676    HB2  ALA  89           2HB      ALA  89   7.822  -2.786  -3.735
  677    HB3  ALA  89           3HB      ALA  89   7.331  -2.861  -2.041
  678    H    GLY  90           H        GLY  90   6.171  -6.342  -3.061
  679    HA2  GLY  90           2HA      GLY  90   6.120  -6.972  -0.173
  680    HA3  GLY  90           1HA      GLY  90   4.692  -6.972  -1.201
  681    H    ASP  91           H        ASP  91   5.493  -8.330  -3.386
  682    HA   ASP  91           HA       ASP  91   5.303 -11.041  -2.644
  683    HB2  ASP  91           2HB      ASP  91   4.635 -10.098  -4.853
  684    HB3  ASP  91           1HB      ASP  91   6.343  -9.907  -5.251
  685    H    SER  92           H        SER  92   6.926 -11.926  -1.414
  686    HA   SER  92           HA       SER  92   9.686 -11.175  -2.035
  687    HB2  SER  92           2HB      SER  92  10.211 -12.256   0.156
  688    HB3  SER  92           1HB      SER  92   9.070 -10.918   0.287
  689    HG   SER  92           HG       SER  92   7.372 -12.514   0.303
  690    H    ASP  93           H        ASP  93   7.475 -13.771  -2.344
  691    HA   ASP  93           HA       ASP  93   9.543 -15.783  -2.605
  692    HB2  ASP  93           2HB      ASP  93   7.778 -17.375  -2.962
  693    HB3  ASP  93           1HB      ASP  93   7.317 -16.332  -1.626
  694    H    GLY  94           H        GLY  94   8.250 -13.434  -4.555
  695    HA2  GLY  94           2HA      GLY  94   8.840 -12.822  -6.676
  696    HA3  GLY  94           1HA      GLY  94   9.980 -14.155  -6.671
  697    H    ASP  95           H        ASP  95   6.419 -14.044  -6.522
  698    HA   ASP  95           HA       ASP  95   6.433 -15.886  -8.819
  699    HB2  ASP  95           2HB      ASP  95   4.467 -16.907  -8.032
  700    HB3  ASP  95           1HB      ASP  95   5.455 -16.685  -6.594
  701    H    GLY  96           H        GLY  96   5.742 -12.741  -7.878
  702    HA2  GLY  96           2HA      GLY  96   5.168 -11.053  -9.419
  703    HA3  GLY  96           1HA      GLY  96   4.496 -12.278 -10.486
  704    H    LYS  97           H        LYS  97   3.728 -12.074  -7.104
  705    HA   LYS  97           HA       LYS  97   1.038 -11.029  -7.697
  706    HB2  LYS  97           2HB      LYS  97   0.131 -13.066  -7.459
  707    HB3  LYS  97           1HB      LYS  97   1.713 -13.770  -7.164
  708    HG2  LYS  97           2HG      LYS  97   1.492 -13.130  -4.762
  709    HG3  LYS  97           1HG      LYS  97  -0.164 -12.608  -5.118
  710    HD2  LYS  97           2HD      LYS  97   0.968 -15.391  -5.247
  711    HD3  LYS  97           1HD      LYS  97  -0.348 -14.792  -4.240
  712    HE2  LYS  97           2HE      LYS  97  -1.574 -15.843  -5.848
  713    HE3  LYS  97           1HE      LYS  97  -1.419 -14.262  -6.608
  714    HZ1  LYS  97           3HZ      LYS  97   0.201 -16.680  -7.180
  715    HZ2  LYS  97           1HZ      LYS  97   0.544 -15.150  -7.813
  716    HZ3  LYS  97           2HZ      LYS  97  -0.902 -15.926  -8.217
  717    H    ILE  98           H        ILE  98   0.074 -10.014  -6.010
  718    HA   ILE  98           HA       ILE  98   1.825  -9.432  -3.762
  719    HB   ILE  98           HB       ILE  98  -0.741  -8.163  -4.690
  720   HG12  ILE  98          2HG1      ILE  98   1.290  -7.518  -5.903
  721   HG13  ILE  98          1HG1      ILE  98   0.670  -6.171  -4.961
  722   HG21  ILE  98          1HG2      ILE  98  -0.514  -6.592  -2.825
  723   HG22  ILE  98          2HG2      ILE  98   0.842  -7.534  -2.207
  724   HG23  ILE  98          3HG2      ILE  98  -0.772  -8.243  -2.262
  725   HD11  ILE  98          3HD1      ILE  98   3.029  -6.184  -4.732
  726   HD12  ILE  98          1HD1      ILE  98   3.045  -7.902  -4.338
  727   HD13  ILE  98          2HD1      ILE  98   2.355  -6.743  -3.204
  728    H    GLY  99           H        GLY  99   1.693 -11.295  -2.540
  729    HA2  GLY  99           2HA      GLY  99  -0.725 -12.292  -1.470
  730    HA3  GLY  99           1HA      GLY  99   0.851 -12.353  -0.671
  731    H    VAL 100           H        VAL 100  -1.948 -11.543   0.257
  732    HA   VAL 100           HA       VAL 100  -1.962  -8.749   0.591
  733    HB   VAL 100           HB       VAL 100  -3.327 -10.908   2.169
  734   HG11  VAL 100          1HG1      VAL 100  -3.924  -7.956   2.114
  735   HG12  VAL 100          2HG1      VAL 100  -3.163  -8.819   3.449
  736   HG13  VAL 100          3HG1      VAL 100  -4.825  -9.191   2.995
  737   HG21  VAL 100          3HG2      VAL 100  -5.242 -10.374   0.767
  738   HG22  VAL 100          1HG2      VAL 100  -3.858 -10.861  -0.210
  739   HG23  VAL 100          2HG2      VAL 100  -4.287  -9.155  -0.082
  740    H    ASP 101           H        ASP 101  -0.844 -11.366   2.668
  741    HA   ASP 101           HA       ASP 101   0.130  -9.700   4.738
  742    HB2  ASP 101           2HB      ASP 101  -0.263 -12.079   5.097
  743    HB3  ASP 101           1HB      ASP 101   0.971 -12.484   3.911
  744    H    GLU 102           H        GLU 102   1.498 -10.878   1.716
  745    HA   GLU 102           HA       GLU 102   4.133  -9.936   2.012
  746    HB2  GLU 102           2HB      GLU 102   2.463 -10.047  -0.524
  747    HB3  GLU 102           1HB      GLU 102   4.209  -9.865  -0.458
  748    HG2  GLU 102           2HG      GLU 102   2.712 -12.275   0.550
  749    HG3  GLU 102           1HG      GLU 102   3.451 -12.142  -1.041
  750    H    PHE 103           H        PHE 103   1.186  -8.390   0.826
  751    HA   PHE 103           HA       PHE 103   2.314  -5.908   0.112
  752    HB2  PHE 103           2HB      PHE 103   0.002  -6.874  -0.487
  753    HB3  PHE 103           1HB      PHE 103  -0.519  -6.274   1.081
  754    HD1  PHE 103           2HD      PHE 103   0.990  -5.204  -2.131
  755    HD2  PHE 103           1HD      PHE 103  -1.189  -4.052   1.331
  756    HE1  PHE 103           2HE      PHE 103   0.577  -3.000  -3.133
  757    HE2  PHE 103           1HE      PHE 103  -1.611  -1.843   0.330
  758    HZ   PHE 103           HZ       PHE 103  -0.725  -1.314  -1.901
  759    H    GLY 104           H        GLY 104   0.732  -7.029   3.081
  760    HA2  GLY 104           2HA      GLY 104   0.810  -4.649   4.532
  761    HA3  GLY 104           1HA      GLY 104   0.854  -6.258   5.239
  762    H    ALA 105           H        ALA 105   3.324  -7.001   3.908
  763    HA   ALA 105           HA       ALA 105   5.193  -6.024   5.802
  764    HB1  ALA 105           1HB      ALA 105   5.703  -7.533   3.240
  765    HB2  ALA 105           2HB      ALA 105   5.365  -8.258   4.810
  766    HB3  ALA 105           3HB      ALA 105   6.842  -7.326   4.570
  767    H    MET 106           H        MET 106   4.591  -5.277   2.376
  768    HA   MET 106           HA       MET 106   6.871  -3.571   2.136
  769    HB2  MET 106           2HB      MET 106   6.246  -3.213  -0.044
  770    HB3  MET 106           1HB      MET 106   5.403  -4.723   0.259
  771    HG2  MET 106           2HG      MET 106   3.328  -3.656   0.442
  772    HG3  MET 106           1HG      MET 106   4.067  -2.072   0.646
  773    HE1  MET 106           3HE      MET 106   4.633  -4.953  -2.128
  774    HE2  MET 106           1HE      MET 106   3.511  -4.323  -3.337
  775    HE3  MET 106           2HE      MET 106   2.911  -4.837  -1.760
  776    H    ILE 107           H        ILE 107   3.757  -3.191   3.456
  777    HA   ILE 107           HA       ILE 107   3.650  -0.315   3.196
  778    HB   ILE 107           HB       ILE 107   1.966  -2.228   4.839
  779   HG12  ILE 107          2HG1      ILE 107   1.340  -0.785   2.255
  780   HG13  ILE 107          1HG1      ILE 107   1.767  -2.490   2.383
  781   HG21  ILE 107          1HG2      ILE 107   1.558   0.702   4.273
  782   HG22  ILE 107          2HG2      ILE 107   1.971  -0.018   5.828
  783   HG23  ILE 107          3HG2      ILE 107   0.409  -0.360   5.086
  784   HD11  ILE 107          3HD1      ILE 107  -0.641  -1.188   3.627
  785   HD12  ILE 107          1HD1      ILE 107  -0.223  -2.899   3.714
  786   HD13  ILE 107          2HD1      ILE 107  -0.634  -2.169   2.162
  787    H    LYS 108           H        LYS 108   4.628  -2.711   5.507
  788    HA   LYS 108           HA       LYS 108   4.959  -0.742   7.612
  789    HB2  LYS 108           2HB      LYS 108   3.944  -2.871   8.162
  790    HB3  LYS 108           1HB      LYS 108   5.340  -3.740   7.541
  791    HG2  LYS 108           2HG      LYS 108   5.775  -1.793   9.740
  792    HG3  LYS 108           1HG      LYS 108   4.970  -3.314  10.122
  793    HD2  LYS 108           2HD      LYS 108   7.608  -3.122   8.677
  794    HD3  LYS 108           1HD      LYS 108   7.460  -3.337  10.424
  795    HE2  LYS 108           2HE      LYS 108   6.429  -5.206   8.288
  796    HE3  LYS 108           1HE      LYS 108   7.834  -5.471   9.319
  797    HZ1  LYS 108           3HZ      LYS 108   6.380  -5.511  11.242
  798    HZ2  LYS 108           1HZ      LYS 108   5.896  -6.674  10.116
  799    HZ3  LYS 108           2HZ      LYS 108   5.029  -5.233  10.267
  800    H    ALA 109           H        ALA 109   6.826  -2.333   5.187
  801    HA   ALA 109           HA       ALA 109   9.258  -1.167   6.366
  802    HB1  ALA 109           1HB      ALA 109   9.342  -3.594   6.583
  803    HB2  ALA 109           2HB      ALA 109  10.555  -3.022   5.437
  804    HB3  ALA 109           3HB      ALA 109   9.069  -3.766   4.849
  Start of MODEL   17
    1    H1   MET   1           1HT      MET   1 -17.924   1.001  -3.312
    2    H2   MET   1           2HT      MET   1 -17.764  -0.605  -2.822
    3    H3   MET   1           3HT      MET   1 -16.790   0.590  -2.133
    4    HA   MET   1           HA       MET   1 -19.729   0.408  -1.874
    5    HB2  MET   1           2HB      MET   1 -17.500  -0.273   0.043
    6    HB3  MET   1           1HB      MET   1 -19.158  -0.017   0.559
    7    HG2  MET   1           2HG      MET   1 -18.211  -2.128  -1.363
    8    HG3  MET   1           1HG      MET   1 -18.657  -2.378   0.322
    9    HE1  MET   1           2HE      MET   1 -21.112  -2.099   1.264
   10    HE2  MET   1           3HE      MET   1 -22.500  -1.633   0.280
   11    HE3  MET   1           1HE      MET   1 -21.220  -0.465   0.608
   12    H    ALA   2           H        ALA   2 -16.976   1.766  -0.054
   13    HA   ALA   2           HA       ALA   2 -17.855   4.463  -0.474
   14    HB1  ALA   2           1HB      ALA   2 -19.484   3.771   1.216
   15    HB2  ALA   2           2HB      ALA   2 -18.366   4.973   1.863
   16    HB3  ALA   2           3HB      ALA   2 -18.170   3.272   2.282
   17    H    PHE   3           H        PHE   3 -16.086   5.648  -0.511
   18    HA   PHE   3           HA       PHE   3 -13.576   4.623   0.402
   19    HB2  PHE   3           2HB      PHE   3 -14.311   7.376  -0.621
   20    HB3  PHE   3           1HB      PHE   3 -12.670   6.793  -0.365
   21    HD1  PHE   3           2HD      PHE   3 -12.076   4.570  -1.624
   22    HD2  PHE   3           1HD      PHE   3 -15.236   7.198  -2.719
   23    HE1  PHE   3           2HE      PHE   3 -12.038   3.657  -3.908
   24    HE2  PHE   3           1HE      PHE   3 -15.207   6.286  -5.004
   25    HZ   PHE   3           HZ       PHE   3 -13.606   4.514  -5.601
   26    H    ALA   4           H        ALA   4 -15.779   7.177   1.427
   27    HA   ALA   4           HA       ALA   4 -16.025   8.334   3.365
   28    HB1  ALA   4           1HB      ALA   4 -16.662   6.031   4.020
   29    HB2  ALA   4           2HB      ALA   4 -16.045   6.995   5.360
   30    HB3  ALA   4           3HB      ALA   4 -15.016   5.778   4.606
   31    H    GLY   5           H        GLY   5 -14.196   7.367   5.746
   32    HA2  GLY   5           2HA      GLY   5 -11.925   9.100   5.035
   33    HA3  GLY   5           1HA      GLY   5 -12.415   8.666   6.675
   34    H    ILE   6           H        ILE   6 -12.636   5.961   4.776
   35    HA   ILE   6           HA       ILE   6 -10.429   4.626   5.909
   36    HB   ILE   6           HB       ILE   6 -12.078   3.964   3.459
   37   HG12  ILE   6          2HG1      ILE   6 -13.286   3.960   5.615
   38   HG13  ILE   6          1HG1      ILE   6 -13.174   2.347   4.917
   39   HG21  ILE   6          1HG2      ILE   6 -11.157   1.707   3.587
   40   HG22  ILE   6          2HG2      ILE   6 -10.085   2.212   4.896
   41   HG23  ILE   6          3HG2      ILE   6  -9.892   2.898   3.279
   42   HD11  ILE   6          3HD1      ILE   6 -11.523   3.447   7.179
   43   HD12  ILE   6          1HD1      ILE   6 -11.286   1.865   6.435
   44   HD13  ILE   6          2HD1      ILE   6 -12.790   2.226   7.280
   45    H    LEU   7           H        LEU   7 -10.891   6.401   2.919
   46    HA   LEU   7           HA       LEU   7  -8.031   6.835   2.927
   47    HB2  LEU   7           2HB      LEU   7  -7.758   6.497   0.535
   48    HB3  LEU   7           1HB      LEU   7  -8.240   5.019   1.330
   49    HG   LEU   7           HG       LEU   7 -10.596   5.473   0.474
   50   HD11  LEU   7          1HD1      LEU   7 -10.777   6.910  -1.504
   51   HD12  LEU   7          2HD1      LEU   7  -9.117   7.455  -1.259
   52   HD13  LEU   7          3HD1      LEU   7 -10.358   7.842  -0.068
   53   HD21  LEU   7          3HD2      LEU   7  -8.400   5.072  -1.547
   54   HD22  LEU   7          1HD2      LEU   7 -10.083   4.577  -1.722
   55   HD23  LEU   7          2HD2      LEU   7  -9.068   3.821  -0.494
   56    H    ASN   8           H        ASN   8  -7.403   8.791   2.054
   57    HA   ASN   8           HA       ASN   8  -9.599  10.649   1.486
   58    HB2  ASN   8           2HB      ASN   8  -6.676  11.173   2.085
   59    HB3  ASN   8           1HB      ASN   8  -7.872  12.419   1.746
   60   HD21  ASN   8          1HD2      ASN   8  -9.917  10.799   3.240
   61   HD22  ASN   8          2HD2      ASN   8  -9.579  11.119   4.906
   62    H    ASP   9           H        ASP   9 -10.128  10.679  -0.551
   63    HA   ASP   9           HA       ASP   9  -8.843   9.571  -2.693
   64    HB2  ASP   9           2HB      ASP   9 -11.119  10.142  -2.939
   65    HB3  ASP   9           1HB      ASP   9 -10.827  11.828  -2.534
   66    H    ALA  10           H        ALA  10  -8.507  12.846  -1.484
   67    HA   ALA  10           HA       ALA  10  -6.949  13.900  -3.580
   68    HB1  ALA  10           1HB      ALA  10  -7.051  14.624  -0.650
   69    HB2  ALA  10           2HB      ALA  10  -8.041  15.308  -1.939
   70    HB3  ALA  10           3HB      ALA  10  -6.303  15.608  -1.912
   71    H    ASP  11           H        ASP  11  -5.991  12.410  -0.484
   72    HA   ASP  11           HA       ASP  11  -3.209  12.747  -0.968
   73    HB2  ASP  11           2HB      ASP  11  -4.763  11.160   1.055
   74    HB3  ASP  11           1HB      ASP  11  -3.007  11.065   0.965
   75    H    ILE  12           H        ILE  12  -5.446  10.083  -1.356
   76    HA   ILE  12           HA       ILE  12  -3.575   8.138  -2.144
   77    HB   ILE  12           HB       ILE  12  -6.514   8.500  -2.485
   78   HG12  ILE  12          2HG1      ILE  12  -6.561   6.295  -1.365
   79   HG13  ILE  12          1HG1      ILE  12  -4.803   6.266  -1.377
   80   HG21  ILE  12          1HG2      ILE  12  -5.855   7.689  -4.680
   81   HG22  ILE  12          2HG2      ILE  12  -6.699   6.424  -3.785
   82   HG23  ILE  12          3HG2      ILE  12  -4.942   6.375  -3.939
   83   HD11  ILE  12          3HD1      ILE  12  -5.632   6.893   0.800
   84   HD12  ILE  12          1HD1      ILE  12  -6.543   8.229   0.096
   85   HD13  ILE  12          2HD1      ILE  12  -4.781   8.250   0.062
   86    H    THR  13           H        THR  13  -5.489  10.452  -4.019
   87    HA   THR  13           HA       THR  13  -4.471   9.774  -6.552
   88    HB   THR  13           HB       THR  13  -5.656  12.353  -5.518
   89    HG1  THR  13           1HG      THR  13  -7.269  10.930  -5.539
   90   HG21  THR  13          3HG2      THR  13  -6.036  12.957  -7.855
   91   HG22  THR  13          1HG2      THR  13  -5.138  11.529  -8.377
   92   HG23  THR  13          2HG2      THR  13  -4.314  12.821  -7.500
   93    H    ALA  14           H        ALA  14  -3.358  12.042  -4.080
   94    HA   ALA  14           HA       ALA  14  -1.422  13.387  -5.580
   95    HB1  ALA  14           1HB      ALA  14  -0.410  13.991  -3.454
   96    HB2  ALA  14           2HB      ALA  14  -1.339  12.735  -2.637
   97    HB3  ALA  14           3HB      ALA  14  -2.167  14.114  -3.361
   98    H    ALA  15           H        ALA  15  -1.135  10.441  -3.612
   99    HA   ALA  15           HA       ALA  15   1.634  10.066  -4.119
  100    HB1  ALA  15           1HB      ALA  15   1.326   7.859  -3.153
  101    HB2  ALA  15           2HB      ALA  15  -0.425   8.026  -3.282
  102    HB3  ALA  15           3HB      ALA  15   0.482   9.074  -2.192
  103    H    LEU  16           H        LEU  16  -1.306   8.824  -5.641
  104    HA   LEU  16           HA       LEU  16  -0.031   7.042  -7.423
  105    HB2  LEU  16           2HB      LEU  16  -2.706   8.417  -7.483
  106    HB3  LEU  16           1HB      LEU  16  -2.194   7.325  -8.753
  107    HG   LEU  16           HG       LEU  16  -2.370   6.513  -5.851
  108   HD11  LEU  16          1HD1      LEU  16  -4.385   6.168  -8.067
  109   HD12  LEU  16          2HD1      LEU  16  -4.583   7.140  -6.608
  110   HD13  LEU  16          3HD1      LEU  16  -4.463   5.384  -6.490
  111   HD21  LEU  16          3HD2      LEU  16  -2.300   4.258  -6.753
  112   HD22  LEU  16          1HD2      LEU  16  -0.879   5.165  -7.267
  113   HD23  LEU  16          2HD2      LEU  16  -2.209   4.896  -8.394
  114    H    ALA  17           H        ALA  17  -0.961  10.436  -7.719
  115    HA   ALA  17           HA       ALA  17  -0.195  10.639 -10.466
  116    HB1  ALA  17           1HB      ALA  17  -0.560  13.027 -10.184
  117    HB2  ALA  17           2HB      ALA  17  -0.653  12.818  -8.435
  118    HB3  ALA  17           3HB      ALA  17  -1.886  12.104  -9.476
  119    H    ALA  18           H        ALA  18   1.445  10.928  -7.434
  120    HA   ALA  18           HA       ALA  18   3.690  12.410  -8.396
  121    HB1  ALA  18           1HB      ALA  18   4.743  11.804  -6.281
  122    HB2  ALA  18           2HB      ALA  18   3.457  10.640  -5.963
  123    HB3  ALA  18           3HB      ALA  18   3.092  12.365  -6.021
  124    H    CYS  19           H        CYS  19   2.643   9.219  -8.709
  125    HA   CYS  19           HA       CYS  19   5.322   8.332  -9.563
  126    HB2  CYS  19           2HB      CYS  19   2.987   6.612  -8.694
  127    HB3  CYS  19           1HB      CYS  19   4.612   6.056  -9.078
  128    HG   CYS  19           HG       CYS  19   3.560   7.766  -6.325
  129    H    LYS  20           H        LYS  20   3.091   9.801 -10.995
  130    HA   LYS  20           HA       LYS  20   1.706   8.050 -12.721
  131    HB2  LYS  20           2HB      LYS  20   1.070  10.402 -12.183
  132    HB3  LYS  20           1HB      LYS  20   2.410  10.953 -13.175
  133    HG2  LYS  20           2HG      LYS  20   1.395   9.885 -15.127
  134    HG3  LYS  20           1HG      LYS  20   0.040   9.367 -14.124
  135    HD2  LYS  20           2HD      LYS  20   0.855  12.237 -14.597
  136    HD3  LYS  20           1HD      LYS  20  -0.463  11.408 -15.424
  137    HE2  LYS  20           2HE      LYS  20  -1.581  11.057 -13.264
  138    HE3  LYS  20           1HE      LYS  20  -0.269  11.910 -12.454
  139    HZ1  LYS  20           3HZ      LYS  20  -2.194  13.333 -12.836
  140    HZ2  LYS  20           1HZ      LYS  20  -2.064  13.089 -14.503
  141    HZ3  LYS  20           2HZ      LYS  20  -0.840  13.904 -13.667
  142    H    ALA  21           H        ALA  21   4.811   9.668 -12.954
  143    HA   ALA  21           HA       ALA  21   5.214   8.782 -15.691
  144    HB1  ALA  21           1HB      ALA  21   6.025  10.990 -15.023
  145    HB2  ALA  21           2HB      ALA  21   7.353   9.951 -15.539
  146    HB3  ALA  21           3HB      ALA  21   7.077  10.243 -13.822
  147    H    GLU  22           H        GLU  22   6.314   7.020 -16.286
  148    HA   GLU  22           HA       GLU  22   6.945   4.984 -14.474
  149    HB2  GLU  22           2HB      GLU  22   8.139   5.295 -17.228
  150    HB3  GLU  22           1HB      GLU  22   7.898   3.802 -16.333
  151    HG2  GLU  22           2HG      GLU  22   6.131   3.667 -17.739
  152    HG3  GLU  22           1HG      GLU  22   5.372   4.577 -16.434
  153    H    GLY  23           H        GLY  23   8.524   4.926 -13.040
  154    HA2  GLY  23           2HA      GLY  23  10.916   4.854 -12.601
  155    HA3  GLY  23           1HA      GLY  23  11.098   6.201 -13.720
  156    H    SER  24           H        SER  24   8.483   7.217 -12.416
  157    HA   SER  24           HA       SER  24   9.826   8.675 -10.265
  158    HB2  SER  24           2HB      SER  24   8.680   9.987 -12.020
  159    HB3  SER  24           1HB      SER  24   7.161   9.190 -11.620
  160    HG   SER  24           HG       SER  24   7.351  10.110  -9.507
  161    H    PHE  25           H        PHE  25   8.711   5.860 -10.187
  162    HA   PHE  25           HA       PHE  25   6.506   6.042  -8.347
  163    HB2  PHE  25           2HB      PHE  25   6.665   3.581  -8.231
  164    HB3  PHE  25           1HB      PHE  25   6.565   4.160  -9.891
  165    HD1  PHE  25           1HD      PHE  25   8.622   4.167 -11.304
  166    HD2  PHE  25           2HD      PHE  25   8.503   2.324  -7.471
  167    HE1  PHE  25           1HE      PHE  25  10.633   2.872 -11.868
  168    HE2  PHE  25           2HE      PHE  25  10.518   1.031  -8.027
  169    HZ   PHE  25           HZ       PHE  25  11.585   1.302 -10.229
  170    H    ASP  26           H        ASP  26   6.615   6.153  -6.226
  171    HA   ASP  26           HA       ASP  26   9.121   5.341  -4.920
  172    HB2  ASP  26           2HB      ASP  26   7.328   7.681  -4.244
  173    HB3  ASP  26           1HB      ASP  26   8.561   7.063  -3.153
  174    H    HIS  27           H        HIS  27   8.402   3.324  -4.496
  175    HA   HIS  27           HA       HIS  27   5.998   2.378  -3.639
  176    HB2  HIS  27           2HB      HIS  27   7.614   0.765  -4.125
  177    HB3  HIS  27           1HB      HIS  27   8.819   1.526  -3.106
  178    HD1  HIS  27           1HD      HIS  27   5.728  -0.649  -2.858
  179    HD2  HIS  27           2HD      HIS  27   8.980   0.536  -0.556
  180    HE1  HIS  27           1HE      HIS  27   5.644  -2.061  -0.788
  181    HE2  HIS  27           2HE      HIS  27   7.586  -1.294   0.631
  182    H    LYS  28           H        LYS  28   8.601   3.442  -1.548
  183    HA   LYS  28           HA       LYS  28   7.163   2.863   0.832
  184    HB2  LYS  28           2HB      LYS  28   9.603   2.776   0.580
  185    HB3  LYS  28           1HB      LYS  28   9.612   4.518   0.346
  186    HG2  LYS  28           2HG      LYS  28   8.771   4.863   2.601
  187    HG3  LYS  28           1HG      LYS  28   8.710   3.117   2.852
  188    HD2  LYS  28           2HD      LYS  28  11.100   2.953   2.643
  189    HD3  LYS  28           1HD      LYS  28  11.220   4.658   2.204
  190    HE2  LYS  28           2HE      LYS  28  10.396   5.291   4.402
  191    HE3  LYS  28           1HE      LYS  28  10.218   3.596   4.840
  192    HZ1  LYS  28           3HZ      LYS  28  12.589   3.311   4.660
  193    HZ2  LYS  28           1HZ      LYS  28  12.255   4.584   5.721
  194    HZ3  LYS  28           2HZ      LYS  28  12.785   4.913   4.152
  195    H    ALA  29           H        ALA  29   8.071   5.846  -0.861
  196    HA   ALA  29           HA       ALA  29   6.840   7.668   0.850
  197    HB1  ALA  29           1HB      ALA  29   6.874   9.234  -0.985
  198    HB2  ALA  29           2HB      ALA  29   7.110   7.924  -2.139
  199    HB3  ALA  29           3HB      ALA  29   8.374   8.307  -0.972
  200    H    PHE  30           H        PHE  30   5.528   5.689  -1.735
  201    HA   PHE  30           HA       PHE  30   3.001   6.801  -1.991
  202    HB2  PHE  30           2HB      PHE  30   3.822   5.022  -3.456
  203    HB3  PHE  30           1HB      PHE  30   3.800   3.882  -2.117
  204    HD1  PHE  30           2HD      PHE  30   1.649   5.973  -4.278
  205    HD2  PHE  30           1HD      PHE  30   1.847   2.698  -1.569
  206    HE1  PHE  30           2HE      PHE  30  -0.667   5.365  -4.847
  207    HE2  PHE  30           1HE      PHE  30  -0.466   2.083  -2.133
  208    HZ   PHE  30           HZ       PHE  30  -1.727   3.419  -3.773
  209    H    PHE  31           H        PHE  31   3.915   4.064   0.157
  210    HA   PHE  31           HA       PHE  31   1.329   4.009   1.327
  211    HB2  PHE  31           2HB      PHE  31   3.902   2.766   2.302
  212    HB3  PHE  31           1HB      PHE  31   2.315   2.470   3.007
  213    HD1  PHE  31           1HD      PHE  31   0.486   1.614   1.420
  214    HD2  PHE  31           2HD      PHE  31   4.643   1.425   0.554
  215    HE1  PHE  31           1HE      PHE  31   0.058  -0.175  -0.211
  216    HE2  PHE  31           2HE      PHE  31   4.224  -0.364  -1.077
  217    HZ   PHE  31           HZ       PHE  31   1.931  -1.168  -1.462
  218    H    THR  32           H        THR  32   4.321   5.613   2.326
  219    HA   THR  32           HA       THR  32   3.250   6.291   4.895
  220    HB   THR  32           HB       THR  32   5.649   6.046   4.676
  221    HG1  THR  32           1HG      THR  32   5.645   7.434   6.254
  222   HG21  THR  32          3HG2      THR  32   5.996   6.801   2.405
  223   HG22  THR  32          1HG2      THR  32   6.996   7.753   3.501
  224   HG23  THR  32          2HG2      THR  32   5.510   8.441   2.843
  225    H    LYS  33           H        LYS  33   3.364   7.868   1.780
  226    HA   LYS  33           HA       LYS  33   2.431  10.395   2.816
  227    HB2  LYS  33           2HB      LYS  33   3.832  10.261   0.808
  228    HB3  LYS  33           1HB      LYS  33   2.582   9.348  -0.017
  229    HG2  LYS  33           2HG      LYS  33   1.069  11.317   0.260
  230    HG3  LYS  33           1HG      LYS  33   2.456  12.219   0.866
  231    HD2  LYS  33           2HD      LYS  33   2.617  10.817  -1.773
  232    HD3  LYS  33           1HD      LYS  33   1.800  12.373  -1.653
  233    HE2  LYS  33           2HE      LYS  33   4.041  12.811  -2.300
  234    HE3  LYS  33           1HE      LYS  33   3.892  13.285  -0.611
  235    HZ1  LYS  33           3HZ      LYS  33   5.947  12.069  -1.094
  236    HZ2  LYS  33           1HZ      LYS  33   5.043  10.715  -1.554
  237    HZ3  LYS  33           2HZ      LYS  33   4.991  11.266   0.045
  238    H    VAL  34           H        VAL  34   1.086   7.537   1.324
  239    HA   VAL  34           HA       VAL  34  -1.510   8.631   0.902
  240    HB   VAL  34           HB       VAL  34  -0.170   6.467  -0.057
  241   HG11  VAL  34          1HG1      VAL  34  -1.378   4.447   0.565
  242   HG12  VAL  34          2HG1      VAL  34  -2.249   5.351   1.804
  243   HG13  VAL  34          3HG1      VAL  34  -0.504   5.134   1.933
  244   HG21  VAL  34          3HG2      VAL  34  -2.266   5.866  -1.174
  245   HG22  VAL  34          1HG2      VAL  34  -1.934   7.597  -1.193
  246   HG23  VAL  34          2HG2      VAL  34  -3.129   6.942  -0.075
  247    H    GLY  35           H        GLY  35   0.120   7.153   3.560
  248    HA2  GLY  35           2HA      GLY  35  -0.553   7.271   5.792
  249    HA3  GLY  35           1HA      GLY  35  -2.175   7.683   5.259
  250    H    LEU  36           H        LEU  36  -0.477   4.925   3.957
  251    HA   LEU  36           HA       LEU  36  -2.638   3.246   4.968
  252    HB2  LEU  36           2HB      LEU  36  -1.723   3.353   2.526
  253    HB3  LEU  36           1HB      LEU  36  -0.472   2.291   3.138
  254    HG   LEU  36           HG       LEU  36  -2.276   0.707   3.863
  255   HD11  LEU  36          1HD1      LEU  36  -4.496   0.963   2.956
  256   HD12  LEU  36          2HD1      LEU  36  -4.034   2.462   2.153
  257   HD13  LEU  36          3HD1      LEU  36  -4.096   2.389   3.911
  258   HD21  LEU  36          3HD2      LEU  36  -2.736  -0.115   1.581
  259   HD22  LEU  36          1HD2      LEU  36  -1.040   0.294   1.833
  260   HD23  LEU  36          2HD2      LEU  36  -2.087   1.390   0.933
  261    H    ALA  37           H        ALA  37   0.512   4.023   5.840
  262    HA   ALA  37           HA       ALA  37   1.438   1.420   6.619
  263    HB1  ALA  37           1HB      ALA  37   3.324   2.583   7.586
  264    HB2  ALA  37           2HB      ALA  37   2.484   4.126   7.439
  265    HB3  ALA  37           3HB      ALA  37   2.966   3.246   5.990
  266    H    ALA  38           H        ALA  38  -0.465   3.888   8.133
  267    HA   ALA  38           HA       ALA  38  -0.185   2.555  10.740
  268    HB1  ALA  38           1HB      ALA  38  -1.356   5.256  10.086
  269    HB2  ALA  38           2HB      ALA  38   0.256   4.955  10.736
  270    HB3  ALA  38           3HB      ALA  38  -1.170   4.572  11.701
  271    H    LYS  39           H        LYS  39  -1.735   1.425   8.575
  272    HA   LYS  39           HA       LYS  39  -4.503   1.905   9.281
  273    HB2  LYS  39           2HB      LYS  39  -3.178   0.197   7.195
  274    HB3  LYS  39           1HB      LYS  39  -4.912   0.130   7.498
  275    HG2  LYS  39           2HG      LYS  39  -3.348   2.567   6.667
  276    HG3  LYS  39           1HG      LYS  39  -4.392   1.591   5.629
  277    HD2  LYS  39           2HD      LYS  39  -6.294   2.128   7.128
  278    HD3  LYS  39           1HD      LYS  39  -5.228   3.199   8.037
  279    HE2  LYS  39           2HE      LYS  39  -4.938   4.631   6.159
  280    HE3  LYS  39           1HE      LYS  39  -5.750   3.487   5.089
  281    HZ1  LYS  39           3HZ      LYS  39  -7.228   5.276   5.679
  282    HZ2  LYS  39           1HZ      LYS  39  -7.005   4.972   7.330
  283    HZ3  LYS  39           2HZ      LYS  39  -7.787   3.827   6.355
  284    H    SER  40           H        SER  40  -5.841   0.564  10.305
  285    HA   SER  40           HA       SER  40  -4.702  -1.540  11.904
  286    HB2  SER  40           2HB      SER  40  -7.611  -0.742  11.650
  287    HB3  SER  40           1HB      SER  40  -6.850  -1.602  12.989
  288    HG   SER  40           HG       SER  40  -5.460   0.492  12.933
  289    HA   PRO  41           HA       PRO  41  -5.394  -5.236   9.655
  290    HB2  PRO  41           2HB      PRO  41  -7.497  -5.921  11.672
  291    HB3  PRO  41           1HB      PRO  41  -6.195  -6.926  11.023
  292    HG2  PRO  41           2HG      PRO  41  -5.946  -5.813  13.417
  293    HG3  PRO  41           1HG      PRO  41  -4.565  -5.879  12.306
  294    HD2  PRO  41           2HD      PRO  41  -6.260  -3.566  13.084
  295    HD3  PRO  41           1HD      PRO  41  -4.552  -3.607  12.608
  296    H    ALA  42           H        ALA  42  -8.503  -3.896  10.809
  297    HA   ALA  42           HA       ALA  42 -10.150  -5.132   8.927
  298    HB1  ALA  42           1HB      ALA  42 -10.984  -4.011  10.938
  299    HB2  ALA  42           2HB      ALA  42 -11.809  -3.446   9.485
  300    HB3  ALA  42           3HB      ALA  42 -10.563  -2.449  10.237
  301    H    ASP  43           H        ASP  43  -8.409  -2.056   8.739
  302    HA   ASP  43           HA       ASP  43  -9.601  -1.281   6.249
  303    HB2  ASP  43           2HB      ASP  43  -8.622   0.323   7.929
  304    HB3  ASP  43           1HB      ASP  43  -7.024  -0.256   7.473
  305    H    ILE  44           H        ILE  44  -6.460  -2.612   7.231
  306    HA   ILE  44           HA       ILE  44  -5.416  -2.851   4.631
  307    HB   ILE  44           HB       ILE  44  -4.756  -4.209   7.224
  308   HG12  ILE  44          2HG1      ILE  44  -4.034  -1.942   7.107
  309   HG13  ILE  44          1HG1      ILE  44  -2.605  -2.946   6.878
  310   HG21  ILE  44          1HG2      ILE  44  -2.801  -5.243   6.197
  311   HG22  ILE  44          2HG2      ILE  44  -3.306  -4.653   4.614
  312   HG23  ILE  44          3HG2      ILE  44  -4.285  -5.849   5.462
  313   HD11  ILE  44          3HD1      ILE  44  -4.123  -1.441   4.768
  314   HD12  ILE  44          1HD1      ILE  44  -2.828  -2.593   4.434
  315   HD13  ILE  44          2HD1      ILE  44  -2.492  -1.131   5.359
  316    H    LYS  45           H        LYS  45  -7.741  -4.756   6.348
  317    HA   LYS  45           HA       LYS  45  -7.523  -7.109   4.778
  318    HB2  LYS  45           2HB      LYS  45  -8.709  -6.916   6.999
  319    HB3  LYS  45           1HB      LYS  45 -10.020  -6.111   6.145
  320    HG2  LYS  45           2HG      LYS  45 -10.552  -8.439   6.438
  321    HG3  LYS  45           1HG      LYS  45 -10.283  -8.106   4.725
  322    HD2  LYS  45           2HD      LYS  45  -7.949  -8.937   4.995
  323    HD3  LYS  45           1HD      LYS  45  -8.349  -9.393   6.650
  324    HE2  LYS  45           2HE      LYS  45  -9.671 -10.434   4.153
  325    HE3  LYS  45           1HE      LYS  45  -8.485 -11.298   5.129
  326    HZ1  LYS  45           3HZ      LYS  45 -10.673 -12.037   5.696
  327    HZ2  LYS  45           1HZ      LYS  45 -11.195 -10.457   5.988
  328    HZ3  LYS  45           2HZ      LYS  45 -10.048 -11.168   7.002
  329    H    LYS  46           H        LYS  46  -9.721  -4.277   4.551
  330    HA   LYS  46           HA       LYS  46 -10.824  -5.201   2.101
  331    HB2  LYS  46           2HB      LYS  46 -11.643  -2.855   1.789
  332    HB3  LYS  46           1HB      LYS  46 -12.129  -3.608   3.294
  333    HG2  LYS  46           2HG      LYS  46 -11.582  -1.463   3.932
  334    HG3  LYS  46           1HG      LYS  46 -10.119  -2.368   4.315
  335    HD2  LYS  46           2HD      LYS  46  -9.435  -0.348   3.267
  336    HD3  LYS  46           1HD      LYS  46  -9.204  -1.642   2.094
  337    HE2  LYS  46           2HE      LYS  46 -11.225  -1.027   0.942
  338    HE3  LYS  46           1HE      LYS  46 -11.609   0.175   2.174
  339    HZ1  LYS  46           3HZ      LYS  46  -9.292   0.235   0.325
  340    HZ2  LYS  46           1HZ      LYS  46  -9.574   1.361   1.552
  341    HZ3  LYS  46           2HZ      LYS  46 -10.653   1.233   0.255
  342    H    VAL  47           H        VAL  47  -7.938  -3.496   2.963
  343    HA   VAL  47           HA       VAL  47  -7.186  -2.668   0.375
  344    HB   VAL  47           HB       VAL  47  -5.467  -3.379   2.753
  345   HG11  VAL  47          1HG1      VAL  47  -4.173  -3.624   0.701
  346   HG12  VAL  47          2HG1      VAL  47  -3.654  -2.201   1.605
  347   HG13  VAL  47          3HG1      VAL  47  -4.677  -2.016   0.180
  348   HG21  VAL  47          3HG2      VAL  47  -6.963  -1.451   3.056
  349   HG22  VAL  47          1HG2      VAL  47  -6.282  -0.710   1.608
  350   HG23  VAL  47          2HG2      VAL  47  -5.266  -0.971   3.025
  351    H    PHE  48           H        PHE  48  -6.767  -5.737   2.107
  352    HA   PHE  48           HA       PHE  48  -5.336  -7.167   0.214
  353    HB2  PHE  48           2HB      PHE  48  -5.756  -8.744   1.748
  354    HB3  PHE  48           1HB      PHE  48  -7.062  -7.794   2.428
  355    HD1  PHE  48           2HD      PHE  48  -6.415 -10.092  -0.469
  356    HD2  PHE  48           1HD      PHE  48  -9.151  -8.729   2.492
  357    HE1  PHE  48           2HE      PHE  48  -8.024 -11.807  -1.174
  358    HE2  PHE  48           1HE      PHE  48 -10.762 -10.449   1.792
  359    HZ   PHE  48           HZ       PHE  48 -10.201 -11.989  -0.040
  360    H    GLU  49           H        GLU  49  -8.763  -6.377   0.274
  361    HA   GLU  49           HA       GLU  49  -9.345  -7.696  -2.190
  362    HB2  GLU  49           2HB      GLU  49 -10.889  -5.506  -0.787
  363    HB3  GLU  49           1HB      GLU  49 -11.509  -6.568  -2.046
  364    HG2  GLU  49           2HG      GLU  49 -11.148  -8.498  -0.572
  365    HG3  GLU  49           1HG      GLU  49 -10.582  -7.410   0.692
  366    H    ILE  50           H        ILE  50  -7.904  -4.670  -1.424
  367    HA   ILE  50           HA       ILE  50  -8.487  -3.276  -3.804
  368    HB   ILE  50           HB       ILE  50  -6.298  -3.057  -1.761
  369   HG12  ILE  50          2HG1      ILE  50  -7.519  -1.399  -0.893
  370   HG13  ILE  50          1HG1      ILE  50  -7.824  -0.671  -2.460
  371   HG21  ILE  50          1HG2      ILE  50  -6.489  -1.376  -4.246
  372   HG22  ILE  50          2HG2      ILE  50  -5.225  -2.552  -3.878
  373   HG23  ILE  50          3HG2      ILE  50  -5.399  -1.103  -2.887
  374   HD11  ILE  50          3HD1      ILE  50  -9.831  -1.398  -1.163
  375   HD12  ILE  50          1HD1      ILE  50  -9.294  -3.059  -1.422
  376   HD13  ILE  50          2HD1      ILE  50  -9.716  -2.039  -2.802
  377    H    ILE  51           H        ILE  51  -5.660  -5.323  -2.959
  378    HA   ILE  51           HA       ILE  51  -4.594  -5.074  -5.611
  379    HB   ILE  51           HB       ILE  51  -3.111  -7.117  -4.930
  380   HG12  ILE  51          2HG1      ILE  51  -4.732  -7.458  -2.847
  381   HG13  ILE  51          1HG1      ILE  51  -3.010  -7.778  -2.680
  382   HG21  ILE  51          1HG2      ILE  51  -2.366  -4.803  -5.158
  383   HG22  ILE  51          2HG2      ILE  51  -1.531  -5.659  -3.858
  384   HG23  ILE  51          3HG2      ILE  51  -2.805  -4.493  -3.475
  385   HD11  ILE  51          3HD1      ILE  51  -3.664  -6.580  -0.765
  386   HD12  ILE  51          1HD1      ILE  51  -4.566  -5.387  -1.701
  387   HD13  ILE  51          2HD1      ILE  51  -2.803  -5.425  -1.779
  388    H    ASP  52           H        ASP  52  -6.772  -7.254  -3.980
  389    HA   ASP  52           HA       ASP  52  -6.813  -9.056  -6.257
  390    HB2  ASP  52           2HB      ASP  52  -7.324  -9.679  -3.740
  391    HB3  ASP  52           1HB      ASP  52  -8.940  -9.088  -4.135
  392    H    GLN  53           H        GLN  53  -7.335  -7.052  -7.627
  393    HA   GLN  53           HA       GLN  53  -9.701  -5.583  -7.338
  394    HB2  GLN  53           2HB      GLN  53  -7.777  -4.915  -8.748
  395    HB3  GLN  53           1HB      GLN  53  -8.196  -6.178  -9.893
  396    HG2  GLN  53           2HG      GLN  53 -10.402  -4.371  -9.283
  397    HG3  GLN  53           1HG      GLN  53  -9.011  -3.579 -10.021
  398   HE21  GLN  53          1HE2      GLN  53 -10.192  -3.161 -11.888
  399   HE22  GLN  53          2HE2      GLN  53 -10.560  -4.399 -13.038
  400    H    ASP  54           H        ASP  54  -9.075  -8.636  -8.906
  401    HA   ASP  54           HA       ASP  54 -11.663  -8.827 -10.166
  402    HB2  ASP  54           2HB      ASP  54  -9.587 -10.961  -9.623
  403    HB3  ASP  54           1HB      ASP  54 -11.031 -11.191 -10.596
  404    H    LYS  55           H        LYS  55 -10.452  -9.371  -7.016
  405    HA   LYS  55           HA       LYS  55 -11.190 -10.466  -5.166
  406    HB2  LYS  55           2HB      LYS  55 -13.703  -9.740  -6.588
  407    HB3  LYS  55           1HB      LYS  55 -13.813 -10.760  -5.166
  408    HG2  LYS  55           2HG      LYS  55 -12.484  -8.063  -5.239
  409    HG3  LYS  55           1HG      LYS  55 -14.145  -8.343  -4.722
  410    HD2  LYS  55           2HD      LYS  55 -11.669  -9.514  -3.454
  411    HD3  LYS  55           1HD      LYS  55 -12.639  -8.192  -2.807
  412    HE2  LYS  55           2HE      LYS  55 -14.577  -9.713  -2.684
  413    HE3  LYS  55           1HE      LYS  55 -13.555 -11.031  -3.253
  414    HZ1  LYS  55           3HZ      LYS  55 -13.156  -9.489  -0.748
  415    HZ2  LYS  55           1HZ      LYS  55 -12.180 -10.765  -1.291
  416    HZ3  LYS  55           2HZ      LYS  55 -13.788 -11.055  -0.853
  417    H    SER  56           H        SER  56  -9.977 -12.267  -6.302
  418    HA   SER  56           HA       SER  56 -11.792 -14.515  -6.881
  419    HB2  SER  56           2HB      SER  56 -10.061 -15.283  -8.516
  420    HB3  SER  56           1HB      SER  56 -10.823 -13.754  -8.961
  421    HG   SER  56           HG       SER  56  -8.295 -14.171  -8.800
  422    H    ASP  57           H        ASP  57  -9.746 -13.376  -4.686
  423    HA   ASP  57           HA       ASP  57  -8.719 -14.310  -2.890
  424    HB2  ASP  57           2HB      ASP  57  -9.422 -16.960  -4.162
  425    HB3  ASP  57           1HB      ASP  57  -8.630 -16.792  -2.600
  426    H    PHE  58           H        PHE  58  -7.708 -14.443  -6.003
  427    HA   PHE  58           HA       PHE  58  -4.950 -14.865  -5.079
  428    HB2  PHE  58           2HB      PHE  58  -5.984 -15.613  -7.826
  429    HB3  PHE  58           1HB      PHE  58  -4.317 -15.763  -7.265
  430    HD1  PHE  58           2HD      PHE  58  -3.813 -17.377  -5.413
  431    HD2  PHE  58           1HD      PHE  58  -7.561 -17.305  -7.423
  432    HE1  PHE  58           2HE      PHE  58  -4.292 -19.646  -4.595
  433    HE2  PHE  58           1HE      PHE  58  -8.048 -19.574  -6.609
  434    HZ   PHE  58           HZ       PHE  58  -6.410 -20.748  -5.191
  435    H    VAL  59           H        VAL  59  -3.604 -13.250  -5.532
  436    HA   VAL  59           HA       VAL  59  -4.747 -10.955  -6.978
  437    HB   VAL  59           HB       VAL  59  -2.798 -11.042  -4.693
  438   HG11  VAL  59          1HG1      VAL  59  -3.944  -8.579  -5.891
  439   HG12  VAL  59          2HG1      VAL  59  -2.380  -9.244  -6.368
  440   HG13  VAL  59          3HG1      VAL  59  -2.652  -8.745  -4.698
  441   HG21  VAL  59          3HG2      VAL  59  -5.093 -11.504  -4.034
  442   HG22  VAL  59          1HG2      VAL  59  -5.603 -10.001  -4.800
  443   HG23  VAL  59          2HG2      VAL  59  -4.528  -9.957  -3.400
  444    H    GLU  60           H        GLU  60  -3.865 -11.352  -9.040
  445    HA   GLU  60           HA       GLU  60  -0.987 -11.817  -9.229
  446    HB2  GLU  60           2HB      GLU  60  -3.169 -11.928 -11.305
  447    HB3  GLU  60           1HB      GLU  60  -1.464 -12.181 -11.659
  448    HG2  GLU  60           2HG      GLU  60  -1.418 -14.100 -10.173
  449    HG3  GLU  60           1HG      GLU  60  -3.110 -13.832  -9.755
  450    H    GLU  61           H        GLU  61   0.233 -10.661 -10.982
  451    HA   GLU  61           HA       GLU  61   0.190  -7.873 -10.584
  452    HB2  GLU  61           2HB      GLU  61   2.183  -9.155 -11.271
  453    HB3  GLU  61           1HB      GLU  61   1.449  -9.415 -12.845
  454    HG2  GLU  61           2HG      GLU  61   1.421  -6.974 -13.196
  455    HG3  GLU  61           1HG      GLU  61   2.269  -6.775 -11.666
  456    H    ASP  62           H        ASP  62  -1.042  -9.860 -13.231
  457    HA   ASP  62           HA       ASP  62  -1.875  -7.805 -14.940
  458    HB2  ASP  62           2HB      ASP  62  -2.767 -10.634 -14.513
  459    HB3  ASP  62           1HB      ASP  62  -3.689  -9.585 -15.586
  460    H    GLU  63           H        GLU  63  -3.108  -8.893 -11.964
  461    HA   GLU  63           HA       GLU  63  -5.677  -7.586 -12.245
  462    HB2  GLU  63           2HB      GLU  63  -5.635  -9.655 -11.054
  463    HB3  GLU  63           1HB      GLU  63  -4.315  -9.110 -10.034
  464    HG2  GLU  63           2HG      GLU  63  -5.751  -7.582  -8.900
  465    HG3  GLU  63           1HG      GLU  63  -7.069  -7.920 -10.029
  466    H    LEU  64           H        LEU  64  -2.620  -7.183 -10.496
  467    HA   LEU  64           HA       LEU  64  -3.277  -4.858  -9.095
  468    HB2  LEU  64           2HB      LEU  64  -0.768  -6.172  -9.885
  469    HB3  LEU  64           1HB      LEU  64  -0.660  -4.457  -9.530
  470    HG   LEU  64           HG       LEU  64  -2.121  -5.354  -7.412
  471   HD11  LEU  64          1HD1      LEU  64  -1.010  -7.346  -6.554
  472   HD12  LEU  64          2HD1      LEU  64  -0.122  -7.502  -8.069
  473   HD13  LEU  64          3HD1      LEU  64  -1.876  -7.676  -8.055
  474   HD21  LEU  64          3HD2      LEU  64   0.870  -5.127  -7.651
  475   HD22  LEU  64          1HD2      LEU  64  -0.040  -5.116  -6.141
  476   HD23  LEU  64          2HD2      LEU  64  -0.264  -3.817  -7.314
  477    H    LYS  65           H        LYS  65  -2.697  -5.384 -12.415
  478    HA   LYS  65           HA       LYS  65  -1.939  -2.863 -13.273
  479    HB2  LYS  65           2HB      LYS  65  -3.166  -5.217 -14.436
  480    HB3  LYS  65           1HB      LYS  65  -3.795  -3.743 -15.156
  481    HG2  LYS  65           2HG      LYS  65  -1.884  -4.673 -16.376
  482    HG3  LYS  65           1HG      LYS  65  -1.589  -3.042 -15.778
  483    HD2  LYS  65           2HD      LYS  65  -0.238  -3.880 -13.984
  484    HD3  LYS  65           1HD      LYS  65  -0.654  -5.552 -14.385
  485    HE2  LYS  65           2HE      LYS  65   0.436  -5.317 -16.537
  486    HE3  LYS  65           1HE      LYS  65   0.818  -3.632 -16.181
  487    HZ1  LYS  65           3HZ      LYS  65   2.726  -5.000 -15.791
  488    HZ2  LYS  65           1HZ      LYS  65   1.855  -6.037 -14.778
  489    HZ3  LYS  65           2HZ      LYS  65   2.161  -4.443 -14.302
  490    H    LEU  66           H        LEU  66  -5.210  -4.114 -12.648
  491    HA   LEU  66           HA       LEU  66  -6.208  -1.383 -12.983
  492    HB2  LEU  66           2HB      LEU  66  -7.705  -3.994 -13.025
  493    HB3  LEU  66           1HB      LEU  66  -8.459  -2.415 -13.138
  494    HG   LEU  66           HG       LEU  66  -8.364  -3.033 -15.351
  495   HD11  LEU  66          1HD1      LEU  66  -7.314  -0.872 -15.135
  496   HD12  LEU  66          2HD1      LEU  66  -6.536  -1.780 -16.432
  497   HD13  LEU  66          3HD1      LEU  66  -5.740  -1.625 -14.862
  498   HD21  LEU  66          3HD2      LEU  66  -6.450  -4.197 -16.393
  499   HD22  LEU  66          1HD2      LEU  66  -7.192  -5.120 -15.086
  500   HD23  LEU  66          2HD2      LEU  66  -5.672  -4.273 -14.814
  501    H    PHE  67           H        PHE  67  -5.091  -3.109 -10.493
  502    HA   PHE  67           HA       PHE  67  -7.181  -2.957  -8.600
  503    HB2  PHE  67           2HB      PHE  67  -5.697  -3.719  -7.068
  504    HB3  PHE  67           1HB      PHE  67  -4.732  -4.047  -8.486
  505    HD1  PHE  67           2HD      PHE  67  -5.226  -1.700  -5.692
  506    HD2  PHE  67           1HD      PHE  67  -2.622  -2.978  -8.787
  507    HE1  PHE  67           2HE      PHE  67  -3.407  -0.389  -4.690
  508    HE2  PHE  67           1HE      PHE  67  -0.792  -1.676  -7.794
  509    HZ   PHE  67           HZ       PHE  67  -1.181  -0.375  -5.741
  510    H    LEU  68           H        LEU  68  -5.074  -0.614  -9.951
  511    HA   LEU  68           HA       LEU  68  -5.307   1.435  -8.042
  512    HB2  LEU  68           2HB      LEU  68  -5.057   1.763 -11.035
  513    HB3  LEU  68           1HB      LEU  68  -4.694   2.977  -9.830
  514    HG   LEU  68           HG       LEU  68  -2.617   2.195 -10.587
  515   HD11  LEU  68          1HD1      LEU  68  -1.610   1.131  -8.646
  516   HD12  LEU  68          2HD1      LEU  68  -3.210   0.706  -8.039
  517   HD13  LEU  68          3HD1      LEU  68  -2.739   2.402  -8.166
  518   HD21  LEU  68          3HD2      LEU  68  -1.997  -0.079 -10.892
  519   HD22  LEU  68          1HD2      LEU  68  -3.557   0.145 -11.683
  520   HD23  LEU  68          2HD2      LEU  68  -3.462  -0.650 -10.110
  521    H    GLN  69           H        GLN  69  -7.199   0.641 -10.913
  522    HA   GLN  69           HA       GLN  69  -9.065   2.748 -10.651
  523    HB2  GLN  69           2HB      GLN  69  -9.441   0.054 -11.972
  524    HB3  GLN  69           1HB      GLN  69 -10.430   1.483 -12.235
  525    HG2  GLN  69           2HG      GLN  69  -8.500   2.641 -13.189
  526    HG3  GLN  69           1HG      GLN  69  -7.515   1.201 -12.932
  527   HE21  GLN  69          1HE2      GLN  69  -8.153   2.578 -15.417
  528   HE22  GLN  69          2HE2      GLN  69  -8.924   1.407 -16.429
  529    H    ASN  70           H        ASN  70  -8.605  -0.192  -8.993
  530    HA   ASN  70           HA       ASN  70 -11.341  -0.410  -8.041
  531    HB2  ASN  70           2HB      ASN  70  -9.849  -2.402  -8.378
  532    HB3  ASN  70           1HB      ASN  70  -8.870  -1.835  -7.030
  533   HD21  ASN  70          1HD2      ASN  70 -11.884  -3.233  -7.997
  534   HD22  ASN  70          2HD2      ASN  70 -12.395  -3.724  -6.422
  535    H    PHE  71           H        PHE  71  -8.202   0.620  -6.824
  536    HA   PHE  71           HA       PHE  71  -9.104   1.290  -4.202
  537    HB2  PHE  71           2HB      PHE  71  -6.721   0.760  -4.979
  538    HB3  PHE  71           1HB      PHE  71  -6.671   2.398  -5.611
  539    HD1  PHE  71           1HD      PHE  71  -8.166   1.199  -2.423
  540    HD2  PHE  71           2HD      PHE  71  -5.066   3.432  -4.297
  541    HE1  PHE  71           1HE      PHE  71  -7.405   1.979  -0.220
  542    HE2  PHE  71           2HE      PHE  71  -4.305   4.225  -2.097
  543    HZ   PHE  71           HZ       PHE  71  -5.472   3.496  -0.054
  544    H    SER  72           H        SER  72  -8.707   3.016  -7.226
  545    HA   SER  72           HA       SER  72 -10.646   4.981  -6.373
  546    HB2  SER  72           2HB      SER  72  -7.830   5.763  -7.168
  547    HB3  SER  72           1HB      SER  72  -9.185   6.892  -7.141
  548    HG   SER  72           HG       SER  72  -8.816   5.385  -4.841
  549    H    ALA  73           H        ALA  73 -11.962   5.420  -8.011
  550    HA   ALA  73           HA       ALA  73 -11.913   3.752 -10.245
  551    HB1  ALA  73           1HB      ALA  73 -13.544   6.256  -9.903
  552    HB2  ALA  73           2HB      ALA  73 -13.940   4.688  -9.202
  553    HB3  ALA  73           3HB      ALA  73 -13.904   4.887 -10.954
  554    H    GLY  74           H        GLY  74 -10.780   7.055  -9.888
  555    HA2  GLY  74           2HA      GLY  74 -10.297   7.179 -12.787
  556    HA3  GLY  74           1HA      GLY  74 -10.325   8.558 -11.701
  557    H    ALA  75           H        ALA  75  -8.616   5.655 -10.813
  558    HA   ALA  75           HA       ALA  75  -6.139   7.151 -10.738
  559    HB1  ALA  75           1HB      ALA  75  -6.717   4.299  -9.951
  560    HB2  ALA  75           2HB      ALA  75  -6.704   5.695  -8.873
  561    HB3  ALA  75           3HB      ALA  75  -5.210   5.166  -9.648
  562    H    ARG  76           H        ARG  76  -4.164   6.349 -11.662
  563    HA   ARG  76           HA       ARG  76  -4.602   5.354 -14.344
  564    HB2  ARG  76           2HB      ARG  76  -1.905   5.834 -14.158
  565    HB3  ARG  76           1HB      ARG  76  -3.099   6.960 -14.784
  566    HG2  ARG  76           2HG      ARG  76  -2.009   8.292 -13.291
  567    HG3  ARG  76           1HG      ARG  76  -3.283   7.656 -12.252
  568    HD2  ARG  76           2HD      ARG  76  -1.036   7.606 -11.206
  569    HD3  ARG  76           1HD      ARG  76  -1.785   6.011 -11.336
  570    HE   ARG  76           HE       ARG  76  -0.271   6.342 -13.625
  571   HH11  ARG  76          1HH1      ARG  76   0.413   6.324 -10.191
  572   HH12  ARG  76          2HH1      ARG  76   1.942   5.532 -10.388
  573   HH21  ARG  76          1HH2      ARG  76   1.728   5.324 -13.863
  574   HH22  ARG  76          2HH2      ARG  76   2.690   4.938 -12.466
  575    H    ALA  77           H        ALA  77  -3.733   3.519 -15.195
  576    HA   ALA  77           HA       ALA  77  -3.177   1.401 -13.343
  577    HB1  ALA  77           1HB      ALA  77  -3.003  -0.012 -15.357
  578    HB2  ALA  77           2HB      ALA  77  -3.146   1.435 -16.359
  579    HB3  ALA  77           3HB      ALA  77  -4.489   0.943 -15.327
  580    H    LEU  78           H        LEU  78  -1.291   0.373 -12.943
  581    HA   LEU  78           HA       LEU  78   1.142   1.758 -13.784
  582    HB2  LEU  78           2HB      LEU  78   1.008  -0.508 -11.816
  583    HB3  LEU  78           1HB      LEU  78   2.217   0.751 -11.947
  584    HG   LEU  78           HG       LEU  78  -0.586   1.054 -10.888
  585   HD11  LEU  78          1HD1      LEU  78   0.562   1.593  -8.791
  586   HD12  LEU  78          2HD1      LEU  78   2.108   1.238  -9.563
  587   HD13  LEU  78          3HD1      LEU  78   0.916  -0.044  -9.346
  588   HD21  LEU  78          3HD2      LEU  78   1.557   3.125 -11.286
  589   HD22  LEU  78          1HD2      LEU  78   0.076   3.365 -10.360
  590   HD23  LEU  78          2HD2      LEU  78  -0.011   3.058 -12.096
  591    H    SER  79           H        SER  79   2.075   0.966 -15.596
  592    HA   SER  79           HA       SER  79   2.574  -1.895 -15.692
  593    HB2  SER  79           2HB      SER  79   1.305  -0.405 -18.010
  594    HB3  SER  79           1HB      SER  79   1.866  -2.075 -18.055
  595    HG   SER  79           HG       SER  79  -0.491  -1.500 -17.554
  596    H    ASP  80           H        ASP  80   4.647  -1.382 -15.225
  597    HA   ASP  80           HA       ASP  80   6.421  -1.130 -17.364
  598    HB2  ASP  80           2HB      ASP  80   5.515   1.314 -17.080
  599    HB3  ASP  80           1HB      ASP  80   6.524   1.341 -15.639
  600    H    ALA  81           H        ALA  81   8.533   0.140 -15.807
  601    HA   ALA  81           HA       ALA  81   9.298  -2.070 -14.243
  602    HB1  ALA  81           1HB      ALA  81  11.185  -0.689 -13.535
  603    HB2  ALA  81           2HB      ALA  81  10.390   0.743 -14.191
  604    HB3  ALA  81           3HB      ALA  81  10.917  -0.546 -15.272
  605    H    GLU  82           H        GLU  82   7.122   0.425 -13.614
  606    HA   GLU  82           HA       GLU  82   7.767   0.883 -10.861
  607    HB2  GLU  82           2HB      GLU  82   5.672   2.197 -10.833
  608    HB3  GLU  82           1HB      GLU  82   6.750   2.666 -12.135
  609    HG2  GLU  82           2HG      GLU  82   5.390   1.304 -13.691
  610    HG3  GLU  82           1HG      GLU  82   4.270   0.984 -12.367
  611    H    THR  83           H        THR  83   5.316  -0.952 -12.636
  612    HA   THR  83           HA       THR  83   3.953  -1.977 -10.402
  613    HB   THR  83           HB       THR  83   4.314  -3.691 -12.811
  614    HG1  THR  83           1HG      THR  83   2.405  -1.848 -13.290
  615   HG21  THR  83          3HG2      THR  83   1.891  -3.997 -12.518
  616   HG22  THR  83          1HG2      THR  83   1.913  -2.837 -11.189
  617   HG23  THR  83          2HG2      THR  83   2.779  -4.368 -11.039
  618    H    LYS  84           H        LYS  84   6.702  -3.158 -12.274
  619    HA   LYS  84           HA       LYS  84   6.899  -5.681 -11.110
  620    HB2  LYS  84           2HB      LYS  84   8.016  -5.124 -13.179
  621    HB3  LYS  84           1HB      LYS  84   9.043  -3.957 -12.356
  622    HG2  LYS  84           2HG      LYS  84  10.056  -5.788 -11.070
  623    HG3  LYS  84           1HG      LYS  84   9.040  -6.941 -11.937
  624    HD2  LYS  84           2HD      LYS  84  11.256  -6.878 -12.923
  625    HD3  LYS  84           1HD      LYS  84  10.073  -6.222 -14.056
  626    HE2  LYS  84           2HE      LYS  84  10.730  -3.968 -13.501
  627    HE3  LYS  84           1HE      LYS  84  11.813  -4.559 -12.242
  628    HZ1  LYS  84           3HZ      LYS  84  12.101  -5.058 -15.156
  629    HZ2  LYS  84           1HZ      LYS  84  13.136  -5.644 -13.953
  630    HZ3  LYS  84           2HZ      LYS  84  13.027  -3.981 -14.237
  631    H    VAL  85           H        VAL  85   8.825  -2.757 -10.321
  632    HA   VAL  85           HA       VAL  85  10.231  -3.991  -8.207
  633    HB   VAL  85           HB       VAL  85   9.685  -1.049  -8.638
  634   HG11  VAL  85          1HG1      VAL  85  11.778  -2.410  -6.942
  635   HG12  VAL  85          2HG1      VAL  85  10.390  -1.497  -6.349
  636   HG13  VAL  85          3HG1      VAL  85  11.669  -0.677  -7.244
  637   HG21  VAL  85          3HG2      VAL  85  12.028  -2.760  -9.465
  638   HG22  VAL  85          1HG2      VAL  85  11.907  -1.013  -9.672
  639   HG23  VAL  85          2HG2      VAL  85  10.805  -2.084 -10.540
  640    H    PHE  86           H        PHE  86   7.351  -1.923  -8.209
  641    HA   PHE  86           HA       PHE  86   7.034  -1.830  -5.407
  642    HB2  PHE  86           2HB      PHE  86   5.972  -0.149  -6.665
  643    HB3  PHE  86           1HB      PHE  86   5.207  -1.303  -7.737
  644    HD1  PHE  86           1HD      PHE  86   5.085   0.303  -4.454
  645    HD2  PHE  86           2HD      PHE  86   3.131  -2.372  -7.126
  646    HE1  PHE  86           1HE      PHE  86   3.040   0.448  -3.099
  647    HE2  PHE  86           2HE      PHE  86   1.083  -2.235  -5.770
  648    HZ   PHE  86           HZ       PHE  86   1.034  -0.820  -3.755
  649    H    LEU  87           H        LEU  87   5.880  -4.064  -7.858
  650    HA   LEU  87           HA       LEU  87   4.165  -5.595  -6.179
  651    HB2  LEU  87           2HB      LEU  87   4.156  -5.555  -8.690
  652    HB3  LEU  87           1HB      LEU  87   5.653  -6.461  -8.666
  653    HG   LEU  87           HG       LEU  87   4.233  -8.183  -7.283
  654   HD11  LEU  87          1HD1      LEU  87   1.900  -8.265  -8.024
  655   HD12  LEU  87          2HD1      LEU  87   2.112  -6.722  -8.852
  656   HD13  LEU  87          3HD1      LEU  87   2.230  -6.804  -7.093
  657   HD21  LEU  87          3HD2      LEU  87   3.665  -9.302  -9.393
  658   HD22  LEU  87          1HD2      LEU  87   5.295  -8.632  -9.415
  659   HD23  LEU  87          2HD2      LEU  87   3.990  -7.801 -10.262
  660    H    LYS  88           H        LYS  88   7.539  -5.935  -7.223
  661    HA   LYS  88           HA       LYS  88   8.035  -8.401  -5.956
  662    HB2  LYS  88           2HB      LYS  88   9.901  -6.224  -6.884
  663    HB3  LYS  88           1HB      LYS  88  10.463  -7.752  -6.211
  664    HG2  LYS  88           2HG      LYS  88   8.709  -7.496  -8.638
  665    HG3  LYS  88           1HG      LYS  88  10.459  -7.749  -8.660
  666    HD2  LYS  88           2HD      LYS  88  10.175  -9.818  -7.409
  667    HD3  LYS  88           1HD      LYS  88   8.430  -9.577  -7.388
  668    HE2  LYS  88           2HE      LYS  88   8.397  -9.678  -9.839
  669    HE3  LYS  88           1HE      LYS  88  10.137  -9.973  -9.838
  670    HZ1  LYS  88           3HZ      LYS  88   8.147 -11.719  -8.488
  671    HZ2  LYS  88           1HZ      LYS  88   9.802 -12.020  -8.688
  672    HZ3  LYS  88           2HZ      LYS  88   8.782 -12.009 -10.035
  673    H    ALA  89           H        ALA  89   7.819  -5.231  -4.678
  674    HA   ALA  89           HA       ALA  89   9.325  -5.481  -2.334
  675    HB1  ALA  89           1HB      ALA  89   7.880  -3.791  -1.387
  676    HB2  ALA  89           2HB      ALA  89   6.657  -4.099  -2.619
  677    HB3  ALA  89           3HB      ALA  89   8.211  -3.397  -3.075
  678    H    GLY  90           H        GLY  90   6.327  -6.909  -3.312
  679    HA2  GLY  90           2HA      GLY  90   6.123  -8.249  -0.691
  680    HA3  GLY  90           1HA      GLY  90   4.765  -7.995  -1.781
  681    H    ASP  91           H        ASP  91   5.672  -8.781  -4.180
  682    HA   ASP  91           HA       ASP  91   5.469 -11.584  -4.108
  683    HB2  ASP  91           2HB      ASP  91   4.829 -10.250  -6.066
  684    HB3  ASP  91           1HB      ASP  91   6.508  -9.795  -6.325
  685    H    SER  92           H        SER  92   7.038 -12.500  -2.808
  686    HA   SER  92           HA       SER  92   9.838 -12.087  -3.571
  687    HB2  SER  92           2HB      SER  92   8.751 -13.583  -1.179
  688    HB3  SER  92           1HB      SER  92  10.410 -13.042  -1.438
  689    HG   SER  92           HG       SER  92   8.145 -11.327  -1.218
  690    H    ASP  93           H        ASP  93   7.306 -14.077  -4.250
  691    HA   ASP  93           HA       ASP  93   8.766 -16.590  -4.294
  692    HB2  ASP  93           2HB      ASP  93   6.057 -16.178  -5.531
  693    HB3  ASP  93           1HB      ASP  93   6.737 -17.640  -4.827
  694    H    GLY  94           H        GLY  94   7.974 -14.017  -6.448
  695    HA2  GLY  94           2HA      GLY  94   8.782 -13.627  -8.579
  696    HA3  GLY  94           1HA      GLY  94   9.544 -15.211  -8.549
  697    H    ASP  95           H        ASP  95   6.195 -14.975  -7.756
  698    HA   ASP  95           HA       ASP  95   5.640 -16.486 -10.193
  699    HB2  ASP  95           2HB      ASP  95   3.533 -17.188  -8.952
  700    HB3  ASP  95           1HB      ASP  95   5.060 -17.810  -8.351
  701    H    GLY  96           H        GLY  96   5.140 -13.388  -8.928
  702    HA2  GLY  96           2HA      GLY  96   4.435 -11.688 -10.418
  703    HA3  GLY  96           1HA      GLY  96   3.543 -12.889 -11.335
  704    H    LYS  97           H        LYS  97   3.335 -12.483  -7.849
  705    HA   LYS  97           HA       LYS  97   0.680 -11.264  -8.082
  706    HB2  LYS  97           2HB      LYS  97  -0.380 -13.057  -6.772
  707    HB3  LYS  97           1HB      LYS  97   0.211 -13.655  -8.316
  708    HG2  LYS  97           2HG      LYS  97   2.024 -14.749  -7.311
  709    HG3  LYS  97           1HG      LYS  97   1.785 -13.924  -5.769
  710    HD2  LYS  97           2HD      LYS  97  -0.097 -15.911  -7.041
  711    HD3  LYS  97           1HD      LYS  97   1.025 -16.264  -5.731
  712    HE2  LYS  97           2HE      LYS  97  -0.137 -14.616  -4.322
  713    HE3  LYS  97           1HE      LYS  97  -1.280 -14.323  -5.630
  714    HZ1  LYS  97           3HZ      LYS  97  -1.938 -16.657  -5.503
  715    HZ2  LYS  97           1HZ      LYS  97  -2.195 -15.859  -4.033
  716    HZ3  LYS  97           2HZ      LYS  97  -0.874 -16.897  -4.213
  717    H    ILE  98           H        ILE  98  -0.281 -10.953  -5.917
  718    HA   ILE  98           HA       ILE  98   1.818 -10.407  -3.929
  719    HB   ILE  98           HB       ILE  98  -0.666  -8.815  -4.549
  720   HG12  ILE  98          2HG1      ILE  98   1.238  -8.315  -5.990
  721   HG13  ILE  98          1HG1      ILE  98   0.911  -6.965  -4.902
  722   HG21  ILE  98          1HG2      ILE  98  -0.062  -7.352  -2.696
  723   HG22  ILE  98          2HG2      ILE  98   1.249  -8.449  -2.260
  724   HG23  ILE  98          3HG2      ILE  98  -0.427  -8.986  -2.145
  725   HD11  ILE  98          3HD1      ILE  98   3.282  -7.330  -5.078
  726   HD12  ILE  98          1HD1      ILE  98   3.093  -9.019  -4.613
  727   HD13  ILE  98          2HD1      ILE  98   2.744  -7.741  -3.450
  728    H    GLY  99           H        GLY  99   1.603 -12.106  -2.556
  729    HA2  GLY  99           2HA      GLY  99  -0.872 -12.966  -1.467
  730    HA3  GLY  99           1HA      GLY  99   0.706 -13.101  -0.683
  731    H    VAL 100           H        VAL 100  -2.006 -12.150   0.298
  732    HA   VAL 100           HA       VAL 100  -1.996  -9.363   0.526
  733    HB   VAL 100           HB       VAL 100  -3.217 -11.443   2.307
  734   HG11  VAL 100          1HG1      VAL 100  -2.987  -9.329   3.503
  735   HG12  VAL 100          2HG1      VAL 100  -4.676  -9.677   3.138
  736   HG13  VAL 100          3HG1      VAL 100  -3.793  -8.492   2.174
  737   HG21  VAL 100          3HG2      VAL 100  -4.325  -9.810   0.039
  738   HG22  VAL 100          1HG2      VAL 100  -5.259 -10.909   1.056
  739   HG23  VAL 100          2HG2      VAL 100  -3.979 -11.539   0.020
  740    H    ASP 101           H        ASP 101  -0.680 -11.850   2.660
  741    HA   ASP 101           HA       ASP 101   0.329 -10.117   4.631
  742    HB2  ASP 101           2HB      ASP 101   1.745 -11.975   5.322
  743    HB3  ASP 101           1HB      ASP 101   0.124 -12.554   4.948
  744    H    GLU 102           H        GLU 102   1.565 -11.074   1.491
  745    HA   GLU 102           HA       GLU 102   4.176  -9.985   1.794
  746    HB2  GLU 102           2HB      GLU 102   2.555 -10.386  -0.746
  747    HB3  GLU 102           1HB      GLU 102   4.276 -10.027  -0.680
  748    HG2  GLU 102           2HG      GLU 102   4.627 -12.157   0.538
  749    HG3  GLU 102           1HG      GLU 102   2.918 -12.523   0.309
  750    H    PHE 103           H        PHE 103   1.068  -8.703   0.766
  751    HA   PHE 103           HA       PHE 103   2.083  -6.180  -0.082
  752    HB2  PHE 103           2HB      PHE 103  -0.167  -7.235  -0.719
  753    HB3  PHE 103           1HB      PHE 103  -0.743  -6.667   0.844
  754    HD1  PHE 103           1HD      PHE 103   0.868  -5.480  -2.285
  755    HD2  PHE 103           2HD      PHE 103  -1.566  -4.506   1.061
  756    HE1  PHE 103           1HE      PHE 103   0.411  -3.275  -3.269
  757    HE2  PHE 103           2HE      PHE 103  -2.030  -2.297   0.082
  758    HZ   PHE 103           HZ       PHE 103  -1.041  -1.679  -2.087
  759    H    GLY 104           H        GLY 104   0.447  -7.295   2.879
  760    HA2  GLY 104           2HA      GLY 104   0.480  -4.896   4.303
  761    HA3  GLY 104           1HA      GLY 104   0.564  -6.494   5.035
  762    H    ALA 105           H        ALA 105   2.995  -7.343   3.945
  763    HA   ALA 105           HA       ALA 105   4.865  -6.192   5.714
  764    HB1  ALA 105           1HB      ALA 105   6.505  -7.617   4.613
  765    HB2  ALA 105           2HB      ALA 105   5.369  -7.930   3.301
  766    HB3  ALA 105           3HB      ALA 105   5.015  -8.505   4.931
  767    H    MET 106           H        MET 106   4.133  -5.604   2.312
  768    HA   MET 106           HA       MET 106   6.476  -3.965   1.936
  769    HB2  MET 106           2HB      MET 106   5.937  -3.881  -0.291
  770    HB3  MET 106           1HB      MET 106   5.075  -5.343   0.155
  771    HG2  MET 106           2HG      MET 106   3.002  -4.273   0.133
  772    HG3  MET 106           1HG      MET 106   3.725  -2.671   0.195
  773    HE1  MET 106           3HE      MET 106   3.612  -5.389  -3.527
  774    HE2  MET 106           1HE      MET 106   2.828  -5.760  -1.993
  775    HE3  MET 106           2HE      MET 106   4.588  -5.784  -2.112
  776    H    ILE 107           H        ILE 107   3.296  -3.496   3.119
  777    HA   ILE 107           HA       ILE 107   3.152  -0.672   2.604
  778    HB   ILE 107           HB       ILE 107   1.627  -2.346   4.634
  779   HG12  ILE 107          2HG1      ILE 107   0.783  -1.351   1.902
  780   HG13  ILE 107          1HG1      ILE 107   1.278  -3.003   2.258
  781   HG21  ILE 107          1HG2      ILE 107   1.094   0.439   3.606
  782   HG22  ILE 107          2HG2      ILE 107   1.665   0.018   5.220
  783   HG23  ILE 107          3HG2      ILE 107   0.057  -0.479   4.698
  784   HD11  ILE 107          3HD1      ILE 107  -0.603  -3.230   3.793
  785   HD12  ILE 107          1HD1      ILE 107  -1.133  -2.808   2.166
  786   HD13  ILE 107          2HD1      ILE 107  -1.097  -1.577   3.427
  787    H    LYS 108           H        LYS 108   4.334  -2.789   5.051
  788    HA   LYS 108           HA       LYS 108   4.994  -0.637   6.878
  789    HB2  LYS 108           2HB      LYS 108   4.263  -2.501   8.021
  790    HB3  LYS 108           1HB      LYS 108   5.074  -3.621   6.942
  791    HG2  LYS 108           2HG      LYS 108   6.763  -1.868   8.643
  792    HG3  LYS 108           1HG      LYS 108   5.902  -3.201   9.414
  793    HD2  LYS 108           2HD      LYS 108   6.898  -4.731   7.707
  794    HD3  LYS 108           1HD      LYS 108   7.862  -3.374   7.128
  795    HE2  LYS 108           2HE      LYS 108   7.913  -4.452   9.941
  796    HE3  LYS 108           1HE      LYS 108   9.082  -4.859   8.688
  797    HZ1  LYS 108           3HZ      LYS 108   9.878  -3.113  10.178
  798    HZ2  LYS 108           1HZ      LYS 108   8.588  -2.119   9.726
  799    HZ3  LYS 108           2HZ      LYS 108   9.756  -2.559   8.586
  800    H    ALA 109           H        ALA 109   6.575  -2.665   4.509
  801    HA   ALA 109           HA       ALA 109   9.116  -1.309   5.118
  802    HB1  ALA 109           1HB      ALA 109   9.223  -3.745   5.367
  803    HB2  ALA 109           2HB      ALA 109  10.256  -3.176   4.057
  804    HB3  ALA 109           3HB      ALA 109   8.706  -3.934   3.691
  Start of MODEL   18
    1    H1   MET   1           1HT      MET   1 -18.332   7.361  -4.281
    2    H2   MET   1           2HT      MET   1 -16.879   6.701  -4.836
    3    H3   MET   1           3HT      MET   1 -18.020   7.281  -5.939
    4    HA   MET   1           HA       MET   1 -16.189   8.810  -5.709
    5    HB2  MET   1           2HB      MET   1 -17.478  10.830  -5.263
    6    HB3  MET   1           1HB      MET   1 -18.421   9.696  -6.217
    7    HG2  MET   1           2HG      MET   1 -19.690   9.047  -4.274
    8    HG3  MET   1           1HG      MET   1 -18.682  10.059  -3.241
    9    HE1  MET   1           2HE      MET   1 -21.496  11.739  -6.488
   10    HE2  MET   1           3HE      MET   1 -21.247  10.018  -6.199
   11    HE3  MET   1           1HE      MET   1 -19.938  11.002  -6.854
   12    H    ALA   2           H        ALA   2 -17.318   7.518  -2.757
   13    HA   ALA   2           HA       ALA   2 -15.149   8.853  -1.355
   14    HB1  ALA   2           1HB      ALA   2 -16.570   9.530   0.518
   15    HB2  ALA   2           2HB      ALA   2 -17.996   8.975  -0.360
   16    HB3  ALA   2           3HB      ALA   2 -17.054  10.333  -0.975
   17    H    PHE   3           H        PHE   3 -14.183   7.539   0.063
   18    HA   PHE   3           HA       PHE   3 -15.376   4.895   0.471
   19    HB2  PHE   3           2HB      PHE   3 -12.542   5.893   0.811
   20    HB3  PHE   3           1HB      PHE   3 -13.065   4.254   1.190
   21    HD1  PHE   3           2HD      PHE   3 -13.842   2.759  -0.619
   22    HD2  PHE   3           1HD      PHE   3 -12.135   6.572  -1.428
   23    HE1  PHE   3           2HE      PHE   3 -13.467   2.091  -2.956
   24    HE2  PHE   3           1HE      PHE   3 -11.759   5.911  -3.768
   25    HZ   PHE   3           HZ       PHE   3 -12.424   3.667  -4.534
   26    H    ALA   4           H        ALA   4 -14.315   3.985   2.719
   27    HA   ALA   4           HA       ALA   4 -15.836   5.482   4.672
   28    HB1  ALA   4           1HB      ALA   4 -14.414   2.843   4.965
   29    HB2  ALA   4           2HB      ALA   4 -16.091   3.051   4.461
   30    HB3  ALA   4           3HB      ALA   4 -15.593   3.531   6.084
   31    H    GLY   5           H        GLY   5 -13.335   6.678   3.818
   32    HA2  GLY   5           2HA      GLY   5 -11.761   7.988   4.861
   33    HA3  GLY   5           1HA      GLY   5 -12.344   7.383   6.405
   34    H    ILE   6           H        ILE   6 -11.805   4.582   5.206
   35    HA   ILE   6           HA       ILE   6  -9.331   4.001   6.292
   36    HB   ILE   6           HB       ILE   6 -10.825   2.670   4.033
   37   HG12  ILE   6          2HG1      ILE   6 -10.483   1.994   6.962
   38   HG13  ILE   6          1HG1      ILE   6 -11.943   2.614   6.198
   39   HG21  ILE   6          1HG2      ILE   6  -8.372   1.674   5.473
   40   HG22  ILE   6          2HG2      ILE   6  -8.478   2.131   3.774
   41   HG23  ILE   6          3HG2      ILE   6  -9.362   0.724   4.366
   42   HD11  ILE   6          3HD1      ILE   6 -12.121   0.238   6.613
   43   HD12  ILE   6          1HD1      ILE   6 -10.662  -0.055   5.670
   44   HD13  ILE   6          2HD1      ILE   6 -12.113   0.562   4.880
   45    H    LEU   7           H        LEU   7 -10.172   4.887   2.991
   46    HA   LEU   7           HA       LEU   7  -7.543   6.038   2.698
   47    HB2  LEU   7           2HB      LEU   7  -7.056   5.042   0.573
   48    HB3  LEU   7           1HB      LEU   7  -7.311   3.776   1.743
   49    HG   LEU   7           HG       LEU   7  -8.253   2.983  -0.236
   50   HD11  LEU   7          1HD1      LEU   7 -10.650   2.815   0.135
   51   HD12  LEU   7          2HD1      LEU   7 -10.556   4.113   1.326
   52   HD13  LEU   7          3HD1      LEU   7  -9.731   2.584   1.623
   53   HD21  LEU   7          3HD2      LEU   7  -8.239   5.020  -1.522
   54   HD22  LEU   7          1HD2      LEU   7  -9.617   5.638  -0.611
   55   HD23  LEU   7          2HD2      LEU   7  -9.808   4.227  -1.651
   56    H    ASN   8           H        ASN   8  -7.565   7.905   1.569
   57    HA   ASN   8           HA       ASN   8 -10.200   8.842   0.720
   58    HB2  ASN   8           2HB      ASN   8  -7.687  10.268   1.526
   59    HB3  ASN   8           1HB      ASN   8  -8.987  11.104   0.682
   60   HD21  ASN   8          1HD2      ASN   8  -8.197   9.247   3.530
   61   HD22  ASN   8          2HD2      ASN   8  -9.435   9.902   4.545
   62    H    ASP   9           H        ASP   9 -10.672   9.214  -1.370
   63    HA   ASP   9           HA       ASP   9  -9.231   8.257  -3.507
   64    HB2  ASP   9           2HB      ASP   9 -10.970  10.735  -3.629
   65    HB3  ASP   9           1HB      ASP   9 -10.624   9.620  -4.944
   66    H    ALA  10           H        ALA  10  -9.334  11.524  -2.254
   67    HA   ALA  10           HA       ALA  10  -7.608  12.809  -4.011
   68    HB1  ALA  10           1HB      ALA  10  -8.238  13.313  -1.107
   69    HB2  ALA  10           2HB      ALA  10  -9.031  14.023  -2.516
   70    HB3  ALA  10           3HB      ALA  10  -7.360  14.446  -2.139
   71    H    ASP  11           H        ASP  11  -6.874  11.175  -0.935
   72    HA   ASP  11           HA       ASP  11  -4.182  12.004  -0.816
   73    HB2  ASP  11           2HB      ASP  11  -5.736   9.847   0.573
   74    HB3  ASP  11           1HB      ASP  11  -3.998   9.996   0.808
   75    H    ILE  12           H        ILE  12  -5.660   9.006  -1.897
   76    HA   ILE  12           HA       ILE  12  -3.265   7.696  -2.593
   77    HB   ILE  12           HB       ILE  12  -6.143   7.365  -3.294
   78   HG12  ILE  12          2HG1      ILE  12  -5.723   5.098  -2.313
   79   HG13  ILE  12          1HG1      ILE  12  -4.066   5.590  -1.997
   80   HG21  ILE  12          1HG2      ILE  12  -5.045   6.894  -5.404
   81   HG22  ILE  12          2HG2      ILE  12  -5.623   5.394  -4.682
   82   HG23  ILE  12          3HG2      ILE  12  -3.911   5.808  -4.600
   83   HD11  ILE  12          3HD1      ILE  12  -4.947   7.406  -0.558
   84   HD12  ILE  12          1HD1      ILE  12  -5.332   5.783   0.013
   85   HD13  ILE  12          2HD1      ILE  12  -6.566   6.750  -0.797
   86    H    THR  13           H        THR  13  -5.538   9.636  -4.486
   87    HA   THR  13           HA       THR  13  -4.252   9.487  -6.964
   88    HB   THR  13           HB       THR  13  -5.892  11.767  -5.831
   89    HG1  THR  13           1HG      THR  13  -7.152   9.949  -5.778
   90   HG21  THR  13          3HG2      THR  13  -6.388  12.341  -8.125
   91   HG22  THR  13          1HG2      THR  13  -5.411  10.993  -8.710
   92   HG23  THR  13          2HG2      THR  13  -4.641  12.347  -7.887
   93    H    ALA  14           H        ALA  14  -3.707  11.581  -4.188
   94    HA   ALA  14           HA       ALA  14  -1.978  13.445  -5.408
   95    HB1  ALA  14           1HB      ALA  14  -3.054  13.837  -3.244
   96    HB2  ALA  14           2HB      ALA  14  -1.306  14.037  -3.143
   97    HB3  ALA  14           3HB      ALA  14  -2.063  12.571  -2.523
   98    H    ALA  15           H        ALA  15  -1.369  10.371  -3.770
   99    HA   ALA  15           HA       ALA  15   1.468  10.557  -3.927
  100    HB1  ALA  15           1HB      ALA  15   1.446   8.168  -3.370
  101    HB2  ALA  15           2HB      ALA  15  -0.300   8.133  -3.612
  102    HB3  ALA  15           3HB      ALA  15   0.391   9.098  -2.308
  103    H    LEU  16           H        LEU  16  -1.028   9.084  -5.929
  104    HA   LEU  16           HA       LEU  16   0.675   7.876  -7.824
  105    HB2  LEU  16           2HB      LEU  16  -2.167   8.865  -8.043
  106    HB3  LEU  16           1HB      LEU  16  -1.361   7.930  -9.286
  107    HG   LEU  16           HG       LEU  16  -1.657   6.896  -6.479
  108   HD11  LEU  16          1HD1      LEU  16  -3.881   7.390  -7.229
  109   HD12  LEU  16          2HD1      LEU  16  -3.621   5.649  -7.326
  110   HD13  LEU  16          3HD1      LEU  16  -3.566   6.633  -8.788
  111   HD21  LEU  16          3HD2      LEU  16  -0.017   5.795  -7.935
  112   HD22  LEU  16          1HD2      LEU  16  -1.276   5.529  -9.141
  113   HD23  LEU  16          2HD2      LEU  16  -1.379   4.737  -7.569
  114    H    ALA  17           H        ALA  17  -0.348  11.151  -7.370
  115    HA   ALA  17           HA       ALA  17   0.443  11.999 -10.024
  116    HB1  ALA  17           1HB      ALA  17  -0.277  13.676  -7.623
  117    HB2  ALA  17           2HB      ALA  17  -1.419  13.094  -8.832
  118    HB3  ALA  17           3HB      ALA  17  -0.149  14.226  -9.294
  119    H    ALA  18           H        ALA  18   1.839  11.717  -6.871
  120    HA   ALA  18           HA       ALA  18   3.913  13.644  -7.183
  121    HB1  ALA  18           1HB      ALA  18   4.852  12.694  -5.175
  122    HB2  ALA  18           2HB      ALA  18   3.839  11.259  -5.337
  123    HB3  ALA  18           3HB      ALA  18   3.102  12.824  -4.985
  124    H    CYS  19           H        CYS  19   3.664  10.166  -7.579
  125    HA   CYS  19           HA       CYS  19   6.228  10.228  -9.017
  126    HB2  CYS  19           2HB      CYS  19   6.578   7.891  -8.235
  127    HB3  CYS  19           1HB      CYS  19   6.570   9.073  -6.936
  128    HG   CYS  19           HG       CYS  19   3.860   7.143  -7.722
  129    H    LYS  20           H        LYS  20   4.289  10.800 -10.558
  130    HA   LYS  20           HA       LYS  20   2.912   8.527 -11.660
  131    HB2  LYS  20           2HB      LYS  20   1.927  10.801 -11.601
  132    HB3  LYS  20           1HB      LYS  20   3.194  11.362 -12.680
  133    HG2  LYS  20           2HG      LYS  20   2.379   9.837 -14.411
  134    HG3  LYS  20           1HG      LYS  20   1.091   9.311 -13.328
  135    HD2  LYS  20           2HD      LYS  20   0.287  10.986 -14.923
  136    HD3  LYS  20           1HD      LYS  20   0.203  11.587 -13.265
  137    HE2  LYS  20           2HE      LYS  20   2.264  12.834 -13.598
  138    HE3  LYS  20           1HE      LYS  20   2.408  12.194 -15.231
  139    HZ1  LYS  20           3HZ      LYS  20   0.213  13.933 -14.247
  140    HZ2  LYS  20           1HZ      LYS  20   0.365  13.328 -15.818
  141    HZ3  LYS  20           2HZ      LYS  20   1.500  14.427 -15.224
  142    H    ALA  21           H        ALA  21   5.977   9.827 -11.912
  143    HA   ALA  21           HA       ALA  21   6.516   9.338 -14.670
  144    HB1  ALA  21           1HB      ALA  21   7.814  10.965 -13.447
  145    HB2  ALA  21           2HB      ALA  21   8.871   9.676 -14.016
  146    HB3  ALA  21           3HB      ALA  21   8.369   9.726 -12.328
  147    H    GLU  22           H        GLU  22   6.651   7.395 -15.561
  148    HA   GLU  22           HA       GLU  22   6.866   4.970 -14.152
  149    HB2  GLU  22           2HB      GLU  22   5.910   5.123 -16.415
  150    HB3  GLU  22           1HB      GLU  22   7.487   5.559 -17.057
  151    HG2  GLU  22           2HG      GLU  22   8.355   3.369 -16.363
  152    HG3  GLU  22           1HG      GLU  22   6.750   2.934 -15.780
  153    H    GLY  23           H        GLY  23   8.563   4.086 -13.200
  154    HA2  GLY  23           2HA      GLY  23  10.825   3.351 -13.129
  155    HA3  GLY  23           1HA      GLY  23  11.258   4.646 -14.237
  156    H    SER  24           H        SER  24   9.153   5.836 -11.992
  157    HA   SER  24           HA       SER  24  11.197   6.426  -9.989
  158    HB2  SER  24           2HB      SER  24   9.537   8.549 -11.368
  159    HB3  SER  24           1HB      SER  24  10.678   8.822 -10.051
  160    HG   SER  24           HG       SER  24  11.939   7.473 -11.959
  161    H    PHE  25           H        PHE  25   8.656   4.827 -10.230
  162    HA   PHE  25           HA       PHE  25   6.679   6.094  -8.624
  163    HB2  PHE  25           2HB      PHE  25   6.279   4.088 -10.126
  164    HB3  PHE  25           1HB      PHE  25   7.120   3.121  -8.914
  165    HD1  PHE  25           2HD      PHE  25   4.240   5.444  -9.292
  166    HD2  PHE  25           1HD      PHE  25   5.943   2.173  -7.170
  167    HE1  PHE  25           2HE      PHE  25   2.140   5.169  -8.041
  168    HE2  PHE  25           1HE      PHE  25   3.846   1.891  -5.915
  169    HZ   PHE  25           HZ       PHE  25   1.942   3.389  -6.348
  170    H    ASP  26           H        ASP  26   6.682   6.408  -6.467
  171    HA   ASP  26           HA       ASP  26   8.667   4.880  -4.921
  172    HB2  ASP  26           2HB      ASP  26   8.634   7.511  -5.032
  173    HB3  ASP  26           1HB      ASP  26   7.346   7.337  -3.842
  174    H    HIS  27           H        HIS  27   7.332   3.084  -4.712
  175    HA   HIS  27           HA       HIS  27   4.679   3.053  -3.959
  176    HB2  HIS  27           2HB      HIS  27   4.927   0.743  -3.460
  177    HB3  HIS  27           1HB      HIS  27   6.035   1.092  -4.774
  178    HD1  HIS  27           1HD      HIS  27   5.857  -0.584  -1.621
  179    HD2  HIS  27           2HD      HIS  27   8.815   1.480  -3.672
  180    HE1  HIS  27           1HE      HIS  27   8.024  -1.309  -0.584
  181    HE2  HIS  27           2HE      HIS  27   9.774   0.118  -1.703
  182    H    LYS  28           H        LYS  28   7.458   3.481  -1.947
  183    HA   LYS  28           HA       LYS  28   6.059   2.883   0.480
  184    HB2  LYS  28           2HB      LYS  28   8.477   2.514   0.149
  185    HB3  LYS  28           1HB      LYS  28   8.683   4.258   0.049
  186    HG2  LYS  28           2HG      LYS  28   8.224   4.580   2.306
  187    HG3  LYS  28           1HG      LYS  28   7.423   3.015   2.459
  188    HD2  LYS  28           2HD      LYS  28   9.587   1.895   2.144
  189    HD3  LYS  28           1HD      LYS  28  10.376   3.469   2.029
  190    HE2  LYS  28           2HE      LYS  28   9.880   3.985   4.283
  191    HE3  LYS  28           1HE      LYS  28   8.747   2.642   4.415
  192    HZ1  LYS  28           3HZ      LYS  28  11.611   2.194   3.865
  193    HZ2  LYS  28           1HZ      LYS  28  10.470   1.096   4.463
  194    HZ3  LYS  28           2HZ      LYS  28  11.034   2.357   5.444
  195    H    ALA  29           H        ALA  29   7.205   5.824  -1.169
  196    HA   ALA  29           HA       ALA  29   6.246   7.713   0.641
  197    HB1  ALA  29           1HB      ALA  29   6.234   7.983  -2.360
  198    HB2  ALA  29           2HB      ALA  29   7.644   8.242  -1.335
  199    HB3  ALA  29           3HB      ALA  29   6.236   9.291  -1.179
  200    H    PHE  30           H        PHE  30   4.619   5.930  -1.907
  201    HA   PHE  30           HA       PHE  30   2.107   7.108  -1.839
  202    HB2  PHE  30           2HB      PHE  30   2.766   5.397  -3.476
  203    HB3  PHE  30           1HB      PHE  30   2.823   4.183  -2.206
  204    HD1  PHE  30           1HD      PHE  30   0.784   3.249  -1.283
  205    HD2  PHE  30           2HD      PHE  30   0.657   6.183  -4.362
  206    HE1  PHE  30           1HE      PHE  30  -1.574   2.695  -1.707
  207    HE2  PHE  30           2HE      PHE  30  -1.704   5.637  -4.788
  208    HZ   PHE  30           HZ       PHE  30  -2.822   3.892  -3.461
  209    H    PHE  31           H        PHE  31   3.265   4.329   0.078
  210    HA   PHE  31           HA       PHE  31   0.897   3.993   1.556
  211    HB2  PHE  31           2HB      PHE  31   3.717   3.208   2.302
  212    HB3  PHE  31           1HB      PHE  31   2.254   2.613   3.079
  213    HD1  PHE  31           1HD      PHE  31   0.502   2.092   0.790
  214    HD2  PHE  31           2HD      PHE  31   4.670   1.375   1.272
  215    HE1  PHE  31           1HE      PHE  31   0.373   0.269  -0.853
  216    HE2  PHE  31           2HE      PHE  31   4.546  -0.450  -0.373
  217    HZ   PHE  31           HZ       PHE  31   2.398  -1.005  -1.439
  218    H    THR  32           H        THR  32   3.881   5.747   2.378
  219    HA   THR  32           HA       THR  32   2.957   6.436   4.983
  220    HB   THR  32           HB       THR  32   5.335   6.318   4.580
  221    HG1  THR  32           1HG      THR  32   4.474   7.910   6.111
  222   HG21  THR  32          3HG2      THR  32   6.476   8.072   3.226
  223   HG22  THR  32          1HG2      THR  32   4.895   8.582   2.634
  224   HG23  THR  32          2HG2      THR  32   5.494   6.958   2.274
  225    H    LYS  33           H        LYS  33   2.427   7.786   1.871
  226    HA   LYS  33           HA       LYS  33   1.799  10.435   2.847
  227    HB2  LYS  33           2HB      LYS  33   2.810   9.942   0.597
  228    HB3  LYS  33           1HB      LYS  33   1.259   9.272   0.118
  229    HG2  LYS  33           2HG      LYS  33   0.195  11.412   0.421
  230    HG3  LYS  33           1HG      LYS  33   1.702  12.105   1.025
  231    HD2  LYS  33           2HD      LYS  33   2.750  11.508  -1.170
  232    HD3  LYS  33           1HD      LYS  33   1.144  11.065  -1.749
  233    HE2  LYS  33           2HE      LYS  33   0.354  13.320  -1.370
  234    HE3  LYS  33           1HE      LYS  33   1.909  13.769  -0.670
  235    HZ1  LYS  33           3HZ      LYS  33   2.938  13.297  -2.832
  236    HZ2  LYS  33           1HZ      LYS  33   1.784  14.531  -2.930
  237    HZ3  LYS  33           2HZ      LYS  33   1.411  12.982  -3.491
  238    H    VAL  34           H        VAL  34   0.003   7.641   1.569
  239    HA   VAL  34           HA       VAL  34  -2.519   8.935   1.800
  240    HB   VAL  34           HB       VAL  34  -3.446   6.818   1.169
  241   HG11  VAL  34          1HG1      VAL  34  -0.908   7.370  -0.331
  242   HG12  VAL  34          2HG1      VAL  34  -2.470   8.147  -0.597
  243   HG13  VAL  34          3HG1      VAL  34  -2.270   6.428  -0.938
  244   HG21  VAL  34          3HG2      VAL  34  -2.119   5.344   2.576
  245   HG22  VAL  34          1HG2      VAL  34  -0.707   5.650   1.564
  246   HG23  VAL  34          2HG2      VAL  34  -2.102   4.800   0.898
  247    H    GLY  35           H        GLY  35  -0.460   7.329   3.987
  248    HA2  GLY  35           2HA      GLY  35  -0.828   7.453   6.323
  249    HA3  GLY  35           1HA      GLY  35  -2.555   7.501   6.025
  250    H    LEU  36           H        LEU  36  -0.721   5.164   4.283
  251    HA   LEU  36           HA       LEU  36  -2.202   3.090   5.702
  252    HB2  LEU  36           2HB      LEU  36  -2.116   3.358   3.151
  253    HB3  LEU  36           1HB      LEU  36  -0.496   2.696   3.260
  254    HG   LEU  36           HG       LEU  36  -1.475   0.664   4.352
  255   HD11  LEU  36          1HD1      LEU  36  -3.542   1.670   5.169
  256   HD12  LEU  36          2HD1      LEU  36  -3.873   0.280   4.137
  257   HD13  LEU  36          3HD1      LEU  36  -4.087   1.915   3.509
  258   HD21  LEU  36          3HD2      LEU  36  -0.905   0.703   1.981
  259   HD22  LEU  36          1HD2      LEU  36  -2.509   1.330   1.600
  260   HD23  LEU  36          2HD2      LEU  36  -2.333  -0.287   2.283
  261    H    ALA  37           H        ALA  37   0.635   4.502   6.263
  262    HA   ALA  37           HA       ALA  37   1.995   2.012   7.001
  263    HB1  ALA  37           1HB      ALA  37   3.296   3.881   6.007
  264    HB2  ALA  37           2HB      ALA  37   3.876   3.396   7.601
  265    HB3  ALA  37           3HB      ALA  37   2.912   4.861   7.422
  266    H    ALA  38           H        ALA  38   0.053   4.555   8.312
  267    HA   ALA  38           HA       ALA  38   0.420   3.483  11.032
  268    HB1  ALA  38           1HB      ALA  38  -0.400   5.627  11.853
  269    HB2  ALA  38           2HB      ALA  38  -0.629   6.186  10.196
  270    HB3  ALA  38           3HB      ALA  38   0.994   5.853  10.798
  271    H    LYS  39           H        LYS  39  -1.291   2.420   8.890
  272    HA   LYS  39           HA       LYS  39  -4.013   3.012   9.506
  273    HB2  LYS  39           2HB      LYS  39  -4.291   0.740   8.201
  274    HB3  LYS  39           1HB      LYS  39  -3.840   2.217   7.368
  275    HG2  LYS  39           2HG      LYS  39  -2.540   0.261   6.648
  276    HG3  LYS  39           1HG      LYS  39  -1.541   1.554   7.298
  277    HD2  LYS  39           2HD      LYS  39  -1.701   0.209   9.519
  278    HD3  LYS  39           1HD      LYS  39  -2.174  -1.130   8.468
  279    HE2  LYS  39           2HE      LYS  39  -0.129  -0.916   7.204
  280    HE3  LYS  39           1HE      LYS  39   0.320   0.526   8.110
  281    HZ1  LYS  39           3HZ      LYS  39   0.132  -2.249   9.152
  282    HZ2  LYS  39           1HZ      LYS  39   0.406  -0.890  10.121
  283    HZ3  LYS  39           2HZ      LYS  39   1.537  -1.334   8.948
  284    H    SER  40           H        SER  40  -5.502   1.060   9.934
  285    HA   SER  40           HA       SER  40  -4.437  -0.540  12.159
  286    HB2  SER  40           2HB      SER  40  -7.310   0.265  11.607
  287    HB3  SER  40           1HB      SER  40  -6.724  -0.603  13.025
  288    HG   SER  40           HG       SER  40  -5.313   1.338  13.303
  289    HA   PRO  41           HA       PRO  41  -4.986  -4.448  10.215
  290    HB2  PRO  41           2HB      PRO  41  -7.378  -4.938  11.949
  291    HB3  PRO  41           1HB      PRO  41  -6.017  -6.006  11.585
  292    HG2  PRO  41           2HG      PRO  41  -6.098  -4.708  13.891
  293    HG3  PRO  41           1HG      PRO  41  -4.572  -4.867  13.002
  294    HD2  PRO  41           2HD      PRO  41  -6.337  -2.496  13.324
  295    HD3  PRO  41           1HD      PRO  41  -4.574  -2.575  13.143
  296    H    ALA  42           H        ALA  42  -8.200  -2.980  10.789
  297    HA   ALA  42           HA       ALA  42  -9.513  -4.416   8.744
  298    HB1  ALA  42           1HB      ALA  42 -10.678  -3.346  10.630
  299    HB2  ALA  42           2HB      ALA  42 -11.353  -2.882   9.070
  300    HB3  ALA  42           3HB      ALA  42 -10.305  -1.765   9.943
  301    H    ASP  43           H        ASP  43  -7.769  -1.386   8.747
  302    HA   ASP  43           HA       ASP  43  -8.717  -0.322   6.319
  303    HB2  ASP  43           2HB      ASP  43  -6.047   0.042   7.699
  304    HB3  ASP  43           1HB      ASP  43  -6.602   1.011   6.342
  305    H    ILE  44           H        ILE  44  -5.725  -2.023   7.087
  306    HA   ILE  44           HA       ILE  44  -4.893  -2.232   4.406
  307    HB   ILE  44           HB       ILE  44  -3.842  -2.786   6.980
  308   HG12  ILE  44          2HG1      ILE  44  -2.653  -2.672   4.208
  309   HG13  ILE  44          1HG1      ILE  44  -2.831  -1.343   5.346
  310   HG21  ILE  44          1HG2      ILE  44  -3.373  -5.046   5.041
  311   HG22  ILE  44          2HG2      ILE  44  -4.271  -5.153   6.556
  312   HG23  ILE  44          3HG2      ILE  44  -2.542  -4.804   6.578
  313   HD11  ILE  44          3HD1      ILE  44  -1.012  -3.721   5.614
  314   HD12  ILE  44          1HD1      ILE  44  -1.246  -2.487   6.854
  315   HD13  ILE  44          2HD1      ILE  44  -0.549  -2.048   5.293
  316    H    LYS  45           H        LYS  45  -6.928  -4.235   6.400
  317    HA   LYS  45           HA       LYS  45  -6.715  -6.649   4.975
  318    HB2  LYS  45           2HB      LYS  45  -7.877  -6.278   7.201
  319    HB3  LYS  45           1HB      LYS  45  -9.233  -5.634   6.289
  320    HG2  LYS  45           2HG      LYS  45  -9.718  -7.902   6.772
  321    HG3  LYS  45           1HG      LYS  45  -9.326  -7.806   5.054
  322    HD2  LYS  45           2HD      LYS  45  -7.020  -8.551   5.576
  323    HD3  LYS  45           1HD      LYS  45  -7.492  -8.726   7.270
  324    HE2  LYS  45           2HE      LYS  45  -9.296 -10.301   6.460
  325    HE3  LYS  45           1HE      LYS  45  -8.495 -10.256   4.888
  326    HZ1  LYS  45           3HZ      LYS  45  -6.460 -11.033   6.003
  327    HZ2  LYS  45           1HZ      LYS  45  -7.729 -12.144   6.105
  328    HZ3  LYS  45           2HZ      LYS  45  -7.325 -11.197   7.445
  329    H    LYS  46           H        LYS  46  -8.919  -3.881   4.559
  330    HA   LYS  46           HA       LYS  46 -10.197  -5.085   2.303
  331    HB2  LYS  46           2HB      LYS  46 -11.348  -2.972   2.010
  332    HB3  LYS  46           1HB      LYS  46 -11.368  -3.435   3.699
  333    HG2  LYS  46           2HG      LYS  46 -10.938  -1.189   3.825
  334    HG3  LYS  46           1HG      LYS  46  -9.311  -1.863   3.892
  335    HD2  LYS  46           2HD      LYS  46  -9.164  -0.077   2.367
  336    HD3  LYS  46           1HD      LYS  46  -9.242  -1.523   1.363
  337    HE2  LYS  46           2HE      LYS  46 -11.596   0.251   2.016
  338    HE3  LYS  46           1HE      LYS  46 -10.654   0.341   0.531
  339    HZ1  LYS  46           3HZ      LYS  46 -12.514  -0.939   0.006
  340    HZ2  LYS  46           1HZ      LYS  46 -12.440  -1.836   1.436
  341    HZ3  LYS  46           2HZ      LYS  46 -11.291  -2.079   0.221
  342    H    VAL  47           H        VAL  47  -7.374  -3.146   2.795
  343    HA   VAL  47           HA       VAL  47  -6.960  -2.383   0.104
  344    HB   VAL  47           HB       VAL  47  -4.935  -2.848   2.302
  345   HG11  VAL  47          1HG1      VAL  47  -3.874  -2.996   0.110
  346   HG12  VAL  47          2HG1      VAL  47  -3.406  -1.508   0.933
  347   HG13  VAL  47          3HG1      VAL  47  -4.605  -1.462  -0.357
  348   HG21  VAL  47          3HG2      VAL  47  -4.952  -0.404   2.495
  349   HG22  VAL  47          1HG2      VAL  47  -6.550  -1.086   2.806
  350   HG23  VAL  47          2HG2      VAL  47  -6.204  -0.316   1.257
  351    H    PHE  48           H        PHE  48  -6.187  -5.271   1.955
  352    HA   PHE  48           HA       PHE  48  -4.746  -6.673   0.014
  353    HB2  PHE  48           2HB      PHE  48  -6.650  -7.689   2.127
  354    HB3  PHE  48           1HB      PHE  48  -5.632  -8.733   1.147
  355    HD1  PHE  48           1HD      PHE  48  -3.519  -6.155   1.436
  356    HD2  PHE  48           2HD      PHE  48  -5.435  -9.000   3.958
  357    HE1  PHE  48           1HE      PHE  48  -1.698  -5.928   3.070
  358    HE2  PHE  48           2HE      PHE  48  -3.618  -8.774   5.597
  359    HZ   PHE  48           HZ       PHE  48  -1.747  -7.236   5.155
  360    H    GLU  49           H        GLU  49  -8.202  -6.260   0.508
  361    HA   GLU  49           HA       GLU  49  -9.013  -7.948  -1.628
  362    HB2  GLU  49           2HB      GLU  49 -10.471  -5.593  -0.423
  363    HB3  GLU  49           1HB      GLU  49 -11.188  -6.844  -1.427
  364    HG2  GLU  49           2HG      GLU  49 -10.668  -8.512   0.283
  365    HG3  GLU  49           1HG      GLU  49  -9.960  -7.248   1.291
  366    H    ILE  50           H        ILE  50  -7.682  -4.770  -1.549
  367    HA   ILE  50           HA       ILE  50  -8.787  -3.869  -4.024
  368    HB   ILE  50           HB       ILE  50  -6.291  -2.870  -2.654
  369   HG12  ILE  50          2HG1      ILE  50  -9.129  -1.830  -2.506
  370   HG13  ILE  50          1HG1      ILE  50  -8.339  -2.759  -1.237
  371   HG21  ILE  50          1HG2      ILE  50  -8.078  -1.409  -4.582
  372   HG22  ILE  50          2HG2      ILE  50  -6.655  -2.304  -5.095
  373   HG23  ILE  50          3HG2      ILE  50  -6.482  -0.932  -4.001
  374   HD11  ILE  50          3HD1      ILE  50  -8.222  -0.474  -0.628
  375   HD12  ILE  50          1HD1      ILE  50  -7.618  -0.017  -2.222
  376   HD13  ILE  50          2HD1      ILE  50  -6.604  -0.964  -1.135
  377    H    ILE  51           H        ILE  51  -5.566  -5.298  -3.213
  378    HA   ILE  51           HA       ILE  51  -4.631  -5.086  -5.892
  379    HB   ILE  51           HB       ILE  51  -3.026  -7.031  -5.267
  380   HG12  ILE  51          2HG1      ILE  51  -4.551  -7.447  -3.114
  381   HG13  ILE  51          1HG1      ILE  51  -2.810  -7.711  -3.080
  382   HG21  ILE  51          1HG2      ILE  51  -2.392  -4.705  -5.503
  383   HG22  ILE  51          2HG2      ILE  51  -1.519  -5.482  -4.181
  384   HG23  ILE  51          3HG2      ILE  51  -2.862  -4.388  -3.833
  385   HD11  ILE  51          3HD1      ILE  51  -3.299  -6.552  -1.116
  386   HD12  ILE  51          1HD1      ILE  51  -4.368  -5.412  -1.937
  387   HD13  ILE  51          2HD1      ILE  51  -2.627  -5.337  -2.198
  388    H    ASP  52           H        ASP  52  -6.483  -7.463  -4.166
  389    HA   ASP  52           HA       ASP  52  -6.737  -9.110  -6.535
  390    HB2  ASP  52           2HB      ASP  52  -6.847  -9.982  -4.108
  391    HB3  ASP  52           1HB      ASP  52  -8.449  -9.271  -4.053
  392    H    GLN  53           H        GLN  53  -7.368  -7.128  -7.727
  393    HA   GLN  53           HA       GLN  53  -9.500  -5.478  -7.223
  394    HB2  GLN  53           2HB      GLN  53  -7.891  -5.145  -9.054
  395    HB3  GLN  53           1HB      GLN  53  -8.602  -6.501  -9.922
  396    HG2  GLN  53           2HG      GLN  53 -10.758  -5.255  -9.954
  397    HG3  GLN  53           1HG      GLN  53  -9.905  -3.879  -9.261
  398   HE21  GLN  53          1HE2      GLN  53  -8.484  -6.048 -11.605
  399   HE22  GLN  53          2HE2      GLN  53  -8.427  -4.911 -12.902
  400    H    ASP  54           H        ASP  54  -9.550  -8.436  -9.131
  401    HA   ASP  54           HA       ASP  54 -12.411  -8.438  -9.403
  402    HB2  ASP  54           2HB      ASP  54 -12.172 -10.440 -10.636
  403    HB3  ASP  54           1HB      ASP  54 -10.745  -9.489 -11.025
  404    H    LYS  55           H        LYS  55 -10.210  -9.569  -7.035
  405    HA   LYS  55           HA       LYS  55 -10.446 -10.565  -5.040
  406    HB2  LYS  55           2HB      LYS  55 -12.012  -8.760  -4.686
  407    HB3  LYS  55           1HB      LYS  55 -13.323  -9.725  -5.357
  408    HG2  LYS  55           2HG      LYS  55 -13.300 -11.200  -3.507
  409    HG3  LYS  55           1HG      LYS  55 -11.763 -10.558  -2.926
  410    HD2  LYS  55           2HD      LYS  55 -13.747  -9.774  -1.637
  411    HD3  LYS  55           1HD      LYS  55 -12.780  -8.475  -2.334
  412    HE2  LYS  55           2HE      LYS  55 -15.164  -8.051  -2.616
  413    HE3  LYS  55           1HE      LYS  55 -14.365  -8.263  -4.169
  414    HZ1  LYS  55           3HZ      LYS  55 -15.969 -10.321  -2.751
  415    HZ2  LYS  55           1HZ      LYS  55 -15.201 -10.531  -4.244
  416    HZ3  LYS  55           2HZ      LYS  55 -16.469  -9.429  -4.096
  417    H    SER  56           H        SER  56  -9.958 -12.495  -6.380
  418    HA   SER  56           HA       SER  56 -12.010 -14.536  -5.859
  419    HB2  SER  56           2HB      SER  56 -10.108 -14.602  -8.209
  420    HB3  SER  56           1HB      SER  56 -11.446 -15.701  -7.886
  421    HG   SER  56           HG       SER  56 -11.456 -13.237  -9.074
  422    H    ASP  57           H        ASP  57  -9.760 -13.606  -4.260
  423    HA   ASP  57           HA       ASP  57  -8.301 -14.502  -2.783
  424    HB2  ASP  57           2HB      ASP  57  -9.147 -17.123  -4.018
  425    HB3  ASP  57           1HB      ASP  57  -8.049 -16.999  -2.647
  426    H    PHE  58           H        PHE  58  -7.721 -14.024  -5.786
  427    HA   PHE  58           HA       PHE  58  -4.896 -14.702  -5.560
  428    HB2  PHE  58           2HB      PHE  58  -6.605 -15.432  -7.952
  429    HB3  PHE  58           1HB      PHE  58  -4.845 -15.414  -7.975
  430    HD1  PHE  58           2HD      PHE  58  -3.610 -16.973  -6.419
  431    HD2  PHE  58           1HD      PHE  58  -7.784 -17.299  -7.179
  432    HE1  PHE  58           2HE      PHE  58  -3.577 -19.289  -5.590
  433    HE2  PHE  58           1HE      PHE  58  -7.758 -19.615  -6.352
  434    HZ   PHE  58           HZ       PHE  58  -5.651 -20.613  -5.555
  435    H    VAL  59           H        VAL  59  -3.639 -13.045  -6.261
  436    HA   VAL  59           HA       VAL  59  -4.982 -10.877  -7.709
  437    HB   VAL  59           HB       VAL  59  -4.910  -9.581  -5.930
  438   HG11  VAL  59          1HG1      VAL  59  -3.348 -11.695  -4.494
  439   HG12  VAL  59          2HG1      VAL  59  -5.105 -11.566  -4.574
  440   HG13  VAL  59          3HG1      VAL  59  -4.165 -10.326  -3.742
  441   HG21  VAL  59          3HG2      VAL  59  -1.955  -9.953  -5.982
  442   HG22  VAL  59          1HG2      VAL  59  -2.781  -8.871  -4.862
  443   HG23  VAL  59          2HG2      VAL  59  -2.899  -8.600  -6.604
  444    H    GLU  60           H        GLU  60  -4.075 -11.175  -9.642
  445    HA   GLU  60           HA       GLU  60  -1.218 -11.743  -9.872
  446    HB2  GLU  60           2HB      GLU  60  -3.065 -13.042 -11.046
  447    HB3  GLU  60           1HB      GLU  60  -3.268 -11.640 -12.081
  448    HG2  GLU  60           2HG      GLU  60  -0.999 -11.876 -12.891
  449    HG3  GLU  60           1HG      GLU  60  -0.731 -13.234 -11.798
  450    H    GLU  61           H        GLU  61  -0.231 -10.698 -12.035
  451    HA   GLU  61           HA       GLU  61   0.178  -7.994 -11.568
  452    HB2  GLU  61           2HB      GLU  61   1.870  -8.929 -12.810
  453    HB3  GLU  61           1HB      GLU  61   0.765  -9.799 -13.863
  454    HG2  GLU  61           2HG      GLU  61   0.341  -7.913 -15.177
  455    HG3  GLU  61           1HG      GLU  61   0.989  -6.787 -13.981
  456    H    ASP  62           H        ASP  62  -2.095  -9.491 -13.881
  457    HA   ASP  62           HA       ASP  62  -2.910  -7.108 -15.126
  458    HB2  ASP  62           2HB      ASP  62  -4.215  -9.773 -14.742
  459    HB3  ASP  62           1HB      ASP  62  -5.173  -8.434 -15.366
  460    H    GLU  63           H        GLU  63  -3.730  -8.518 -12.081
  461    HA   GLU  63           HA       GLU  63  -5.904  -6.717 -11.552
  462    HB2  GLU  63           2HB      GLU  63  -4.375  -8.603  -9.760
  463    HB3  GLU  63           1HB      GLU  63  -5.821  -7.713  -9.289
  464    HG2  GLU  63           2HG      GLU  63  -7.145  -8.870 -10.885
  465    HG3  GLU  63           1HG      GLU  63  -5.722  -9.630 -11.598
  466    H    LEU  64           H        LEU  64  -2.520  -7.051 -10.523
  467    HA   LEU  64           HA       LEU  64  -2.425  -4.755  -8.895
  468    HB2  LEU  64           2HB      LEU  64  -0.468  -6.508 -10.223
  469    HB3  LEU  64           1HB      LEU  64   0.092  -4.877  -9.917
  470    HG   LEU  64           HG       LEU  64   0.728  -6.398  -8.121
  471   HD11  LEU  64          1HD1      LEU  64   0.351  -4.052  -7.608
  472   HD12  LEU  64          2HD1      LEU  64  -0.099  -5.084  -6.250
  473   HD13  LEU  64          3HD1      LEU  64  -1.348  -4.390  -7.283
  474   HD21  LEU  64          3HD2      LEU  64  -0.971  -7.356  -6.652
  475   HD22  LEU  64          1HD2      LEU  64  -1.114  -7.978  -8.297
  476   HD23  LEU  64          2HD2      LEU  64  -2.235  -6.745  -7.719
  477    H    LYS  65           H        LYS  65  -2.643  -5.144 -12.242
  478    HA   LYS  65           HA       LYS  65  -1.476  -2.689 -13.052
  479    HB2  LYS  65           2HB      LYS  65  -2.214  -4.931 -14.344
  480    HB3  LYS  65           1HB      LYS  65  -3.643  -3.957 -14.649
  481    HG2  LYS  65           2HG      LYS  65  -2.127  -3.779 -16.496
  482    HG3  LYS  65           1HG      LYS  65  -2.226  -2.229 -15.664
  483    HD2  LYS  65           2HD      LYS  65   0.086  -3.066 -16.381
  484    HD3  LYS  65           1HD      LYS  65  -0.083  -2.458 -14.741
  485    HE2  LYS  65           2HE      LYS  65  -0.028  -4.628 -13.868
  486    HE3  LYS  65           1HE      LYS  65  -0.295  -5.365 -15.450
  487    HZ1  LYS  65           3HZ      LYS  65   1.879  -4.504 -16.146
  488    HZ2  LYS  65           1HZ      LYS  65   2.022  -5.564 -14.834
  489    HZ3  LYS  65           2HZ      LYS  65   2.146  -3.893 -14.589
  490    H    LEU  66           H        LEU  66  -4.827  -3.788 -12.622
  491    HA   LEU  66           HA       LEU  66  -5.679  -0.991 -12.782
  492    HB2  LEU  66           2HB      LEU  66  -7.354  -3.480 -13.013
  493    HB3  LEU  66           1HB      LEU  66  -7.884  -1.831 -13.305
  494    HG   LEU  66           HG       LEU  66  -5.932  -3.443 -14.937
  495   HD11  LEU  66          1HD1      LEU  66  -8.577  -2.173 -15.614
  496   HD12  LEU  66          2HD1      LEU  66  -8.268  -3.895 -15.391
  497   HD13  LEU  66          3HD1      LEU  66  -7.526  -3.035 -16.738
  498   HD21  LEU  66          3HD2      LEU  66  -5.618  -1.473 -16.325
  499   HD22  LEU  66          1HD2      LEU  66  -5.085  -1.158 -14.669
  500   HD23  LEU  66          2HD2      LEU  66  -6.635  -0.525 -15.240
  501    H    PHE  67           H        PHE  67  -4.793  -2.983 -10.402
  502    HA   PHE  67           HA       PHE  67  -6.939  -2.880  -8.575
  503    HB2  PHE  67           2HB      PHE  67  -5.517  -3.779  -7.044
  504    HB3  PHE  67           1HB      PHE  67  -4.512  -4.054  -8.456
  505    HD1  PHE  67           1HD      PHE  67  -2.596  -2.511  -8.898
  506    HD2  PHE  67           2HD      PHE  67  -4.821  -2.381  -5.283
  507    HE1  PHE  67           1HE      PHE  67  -0.755  -1.297  -7.810
  508    HE2  PHE  67           2HE      PHE  67  -2.994  -1.160  -4.189
  509    HZ   PHE  67           HZ       PHE  67  -0.953  -0.617  -5.454
  510    H    LEU  68           H        LEU  68  -4.656  -0.546  -9.689
  511    HA   LEU  68           HA       LEU  68  -4.895   1.443  -7.736
  512    HB2  LEU  68           2HB      LEU  68  -4.579   1.786 -10.721
  513    HB3  LEU  68           1HB      LEU  68  -4.332   3.045  -9.534
  514    HG   LEU  68           HG       LEU  68  -2.194   2.352 -10.190
  515   HD11  LEU  68          1HD1      LEU  68  -2.811   0.936  -7.607
  516   HD12  LEU  68          2HD1      LEU  68  -2.417   2.647  -7.791
  517   HD13  LEU  68          3HD1      LEU  68  -1.211   1.417  -8.171
  518   HD21  LEU  68          3HD2      LEU  68  -1.435   0.102 -10.363
  519   HD22  LEU  68          1HD2      LEU  68  -2.952   0.227 -11.261
  520   HD23  LEU  68          2HD2      LEU  68  -2.926  -0.517  -9.658
  521    H    GLN  69           H        GLN  69  -6.834   0.704 -10.578
  522    HA   GLN  69           HA       GLN  69  -8.620   2.898 -10.249
  523    HB2  GLN  69           2HB      GLN  69  -8.938   0.314 -11.789
  524    HB3  GLN  69           1HB      GLN  69 -10.023   1.694 -11.904
  525    HG2  GLN  69           2HG      GLN  69  -8.179   3.068 -12.743
  526    HG3  GLN  69           1HG      GLN  69  -7.104   1.672 -12.642
  527   HE21  GLN  69          1HE2      GLN  69  -6.682   1.764 -14.848
  528   HE22  GLN  69          2HE2      GLN  69  -7.837   1.250 -16.026
  529    H    ASN  70           H        ASN  70  -8.233  -0.111  -8.725
  530    HA   ASN  70           HA       ASN  70 -10.971  -0.210  -7.725
  531    HB2  ASN  70           2HB      ASN  70  -9.583  -2.283  -8.138
  532    HB3  ASN  70           1HB      ASN  70  -8.591  -1.811  -6.763
  533   HD21  ASN  70          1HD2      ASN  70 -11.665  -3.016  -7.802
  534   HD22  ASN  70          2HD2      ASN  70 -12.237  -3.492  -6.242
  535    H    PHE  71           H        PHE  71  -7.768   0.736  -6.686
  536    HA   PHE  71           HA       PHE  71  -8.381   1.453  -4.021
  537    HB2  PHE  71           2HB      PHE  71  -6.112   1.421  -5.637
  538    HB3  PHE  71           1HB      PHE  71  -6.359   3.128  -5.295
  539    HD1  PHE  71           1HD      PHE  71  -7.161   3.369  -2.624
  540    HD2  PHE  71           2HD      PHE  71  -4.520   0.489  -4.306
  541    HE1  PHE  71           1HE      PHE  71  -6.074   3.090  -0.434
  542    HE2  PHE  71           2HE      PHE  71  -3.433   0.202  -2.119
  543    HZ   PHE  71           HZ       PHE  71  -4.211   1.504  -0.179
  544    H    SER  72           H        SER  72  -8.185   3.310  -7.023
  545    HA   SER  72           HA       SER  72 -10.340   5.041  -6.146
  546    HB2  SER  72           2HB      SER  72  -7.633   6.150  -6.955
  547    HB3  SER  72           1HB      SER  72  -9.086   7.107  -6.665
  548    HG   SER  72           HG       SER  72  -8.705   5.550  -4.551
  549    H    ALA  73           H        ALA  73 -11.575   5.651  -7.819
  550    HA   ALA  73           HA       ALA  73 -11.605   4.042 -10.059
  551    HB1  ALA  73           1HB      ALA  73 -12.954   6.716  -9.774
  552    HB2  ALA  73           2HB      ALA  73 -13.554   5.198  -9.107
  553    HB3  ALA  73           3HB      ALA  73 -13.422   5.404 -10.853
  554    H    GLY  74           H        GLY  74 -10.145   7.218  -9.700
  555    HA2  GLY  74           2HA      GLY  74  -9.309   7.051 -12.531
  556    HA3  GLY  74           1HA      GLY  74  -9.506   8.561 -11.652
  557    H    ALA  75           H        ALA  75  -7.646   5.543 -11.602
  558    HA   ALA  75           HA       ALA  75  -5.350   7.096 -10.601
  559    HB1  ALA  75           1HB      ALA  75  -6.210   5.613  -8.873
  560    HB2  ALA  75           2HB      ALA  75  -4.612   5.095  -9.409
  561    HB3  ALA  75           3HB      ALA  75  -6.052   4.236  -9.962
  562    H    ARG  76           H        ARG  76  -3.319   6.584 -11.433
  563    HA   ARG  76           HA       ARG  76  -3.232   5.571 -14.078
  564    HB2  ARG  76           2HB      ARG  76  -1.017   6.293 -12.154
  565    HB3  ARG  76           1HB      ARG  76  -0.751   5.820 -13.823
  566    HG2  ARG  76           2HG      ARG  76  -0.707   8.088 -14.028
  567    HG3  ARG  76           1HG      ARG  76  -2.411   7.766 -14.334
  568    HD2  ARG  76           2HD      ARG  76  -2.927   8.308 -12.000
  569    HD3  ARG  76           1HD      ARG  76  -1.221   8.660 -11.715
  570    HE   ARG  76           HE       ARG  76  -2.214  10.167 -13.903
  571   HH11  ARG  76          1HH1      ARG  76  -2.250  10.057 -10.402
  572   HH12  ARG  76          2HH1      ARG  76  -2.558  11.754 -10.227
  573   HH21  ARG  76          1HH2      ARG  76  -2.577  12.401 -13.672
  574   HH22  ARG  76          2HH2      ARG  76  -2.734  13.090 -12.088
  575    H    ALA  77           H        ALA  77  -2.882   3.561 -14.775
  576    HA   ALA  77           HA       ALA  77  -2.506   1.404 -12.942
  577    HB1  ALA  77           1HB      ALA  77  -2.307   1.393 -15.954
  578    HB2  ALA  77           2HB      ALA  77  -3.781   1.127 -15.023
  579    HB3  ALA  77           3HB      ALA  77  -2.446  -0.025 -14.912
  580    H    LEU  78           H        LEU  78  -0.651   0.838 -12.065
  581    HA   LEU  78           HA       LEU  78   1.884   1.787 -12.847
  582    HB2  LEU  78           2HB      LEU  78   0.911  -0.391 -11.041
  583    HB3  LEU  78           1HB      LEU  78   2.613  -0.307 -11.436
  584    HG   LEU  78           HG       LEU  78   2.866   1.794 -10.354
  585   HD11  LEU  78          1HD1      LEU  78   0.998   3.028  -9.356
  586   HD12  LEU  78          2HD1      LEU  78  -0.135   1.871 -10.050
  587   HD13  LEU  78          3HD1      LEU  78   0.826   2.903 -11.107
  588   HD21  LEU  78          3HD2      LEU  78   2.821  -0.118  -8.875
  589   HD22  LEU  78          1HD2      LEU  78   1.067   0.005  -8.730
  590   HD23  LEU  78          2HD2      LEU  78   2.099   1.279  -8.076
  591    H    SER  79           H        SER  79   3.031   1.229 -14.581
  592    HA   SER  79           HA       SER  79   2.300  -1.268 -15.938
  593    HB2  SER  79           2HB      SER  79   3.155  -0.022 -17.997
  594    HB3  SER  79           1HB      SER  79   1.654   0.572 -17.285
  595    HG   SER  79           HG       SER  79   4.193   1.741 -17.355
  596    H    ASP  80           H        ASP  80   3.863  -2.458 -17.020
  597    HA   ASP  80           HA       ASP  80   5.848  -3.454 -17.410
  598    HB2  ASP  80           2HB      ASP  80   6.089  -1.270 -18.645
  599    HB3  ASP  80           1HB      ASP  80   7.029  -0.684 -17.280
  600    H    ALA  81           H        ALA  81   7.909  -1.183 -15.931
  601    HA   ALA  81           HA       ALA  81   8.878  -3.338 -14.322
  602    HB1  ALA  81           1HB      ALA  81  10.771  -1.905 -13.847
  603    HB2  ALA  81           2HB      ALA  81   9.928  -0.525 -14.547
  604    HB3  ALA  81           3HB      ALA  81  10.404  -1.877 -15.572
  605    H    GLU  82           H        GLU  82   6.876  -0.598 -13.794
  606    HA   GLU  82           HA       GLU  82   7.408  -0.153 -11.050
  607    HB2  GLU  82           2HB      GLU  82   4.661   0.207 -12.199
  608    HB3  GLU  82           1HB      GLU  82   5.505   1.198 -11.018
  609    HG2  GLU  82           2HG      GLU  82   6.016   1.055 -13.967
  610    HG3  GLU  82           1HG      GLU  82   5.307   2.403 -13.076
  611    H    THR  83           H        THR  83   4.889  -1.998 -12.709
  612    HA   THR  83           HA       THR  83   3.777  -3.196 -10.437
  613    HB   THR  83           HB       THR  83   3.942  -4.902 -12.838
  614    HG1  THR  83           1HG      THR  83   2.484  -2.449 -12.961
  615   HG21  THR  83          3HG2      THR  83   2.402  -5.352 -10.981
  616   HG22  THR  83          1HG2      THR  83   1.527  -5.038 -12.480
  617   HG23  THR  83          2HG2      THR  83   1.634  -3.785 -11.241
  618    H    LYS  84           H        LYS  84   6.523  -4.102 -12.443
  619    HA   LYS  84           HA       LYS  84   6.971  -6.678 -11.488
  620    HB2  LYS  84           2HB      LYS  84   8.066  -5.810 -13.473
  621    HB3  LYS  84           1HB      LYS  84   8.933  -4.624 -12.512
  622    HG2  LYS  84           2HG      LYS  84  10.429  -6.394 -13.063
  623    HG3  LYS  84           1HG      LYS  84  10.074  -6.476 -11.337
  624    HD2  LYS  84           2HD      LYS  84  10.040  -8.707 -12.271
  625    HD3  LYS  84           1HD      LYS  84   8.402  -8.246 -11.806
  626    HE2  LYS  84           2HE      LYS  84   7.906  -7.680 -14.137
  627    HE3  LYS  84           1HE      LYS  84   9.543  -8.135 -14.596
  628    HZ1  LYS  84           3HZ      LYS  84   7.924  -9.886 -15.049
  629    HZ2  LYS  84           1HZ      LYS  84   7.542  -9.973 -13.407
  630    HZ3  LYS  84           2HZ      LYS  84   9.090 -10.391 -13.936
  631    H    VAL  85           H        VAL  85   8.726  -3.722 -10.501
  632    HA   VAL  85           HA       VAL  85  10.035  -5.068  -8.357
  633    HB   VAL  85           HB       VAL  85  11.106  -3.189  -9.447
  634   HG11  VAL  85          1HG1      VAL  85   8.850  -1.520  -8.358
  635   HG12  VAL  85          2HG1      VAL  85   9.165  -1.896 -10.053
  636   HG13  VAL  85          3HG1      VAL  85  10.298  -0.892  -9.145
  637   HG21  VAL  85          3HG2      VAL  85  11.778  -1.878  -7.481
  638   HG22  VAL  85          1HG2      VAL  85  11.737  -3.609  -7.145
  639   HG23  VAL  85          2HG2      VAL  85  10.433  -2.568  -6.576
  640    H    PHE  86           H        PHE  86   7.078  -3.259  -8.659
  641    HA   PHE  86           HA       PHE  86   6.649  -2.813  -5.886
  642    HB2  PHE  86           2HB      PHE  86   5.503  -1.500  -7.602
  643    HB3  PHE  86           1HB      PHE  86   4.685  -2.935  -8.190
  644    HD1  PHE  86           2HD      PHE  86   4.996  -0.657  -5.299
  645    HD2  PHE  86           1HD      PHE  86   2.655  -3.645  -7.218
  646    HE1  PHE  86           2HE      PHE  86   3.142  -0.187  -3.752
  647    HE2  PHE  86           1HE      PHE  86   0.796  -3.177  -5.675
  648    HZ   PHE  86           HZ       PHE  86   1.039  -1.449  -3.942
  649    H    LEU  87           H        LEU  87   5.746  -5.407  -8.126
  650    HA   LEU  87           HA       LEU  87   4.248  -6.937  -6.291
  651    HB2  LEU  87           2HB      LEU  87   5.794  -7.682  -8.767
  652    HB3  LEU  87           1HB      LEU  87   4.934  -8.878  -7.818
  653    HG   LEU  87           HG       LEU  87   3.586  -6.468  -9.041
  654   HD11  LEU  87          1HD1      LEU  87   4.553  -7.864 -10.807
  655   HD12  LEU  87          2HD1      LEU  87   2.791  -7.945 -10.801
  656   HD13  LEU  87          3HD1      LEU  87   3.740  -9.275 -10.132
  657   HD21  LEU  87          3HD2      LEU  87   2.596  -9.003  -7.758
  658   HD22  LEU  87          1HD2      LEU  87   1.573  -7.958  -8.744
  659   HD23  LEU  87          2HD2      LEU  87   2.294  -7.338  -7.260
  660    H    LYS  88           H        LYS  88   7.688  -6.914  -7.124
  661    HA   LYS  88           HA       LYS  88   8.470  -9.039  -5.449
  662    HB2  LYS  88           2HB      LYS  88   9.934  -6.725  -6.673
  663    HB3  LYS  88           1HB      LYS  88  10.749  -7.794  -5.541
  664    HG2  LYS  88           2HG      LYS  88   9.415  -8.696  -8.083
  665    HG3  LYS  88           1HG      LYS  88  11.142  -8.379  -7.902
  666    HD2  LYS  88           2HD      LYS  88  11.058 -10.052  -5.969
  667    HD3  LYS  88           1HD      LYS  88   9.486 -10.527  -6.615
  668    HE2  LYS  88           2HE      LYS  88  12.128 -10.612  -8.065
  669    HE3  LYS  88           1HE      LYS  88  11.215 -11.995  -7.467
  670    HZ1  LYS  88           3HZ      LYS  88   9.402 -11.313  -9.000
  671    HZ2  LYS  88           1HZ      LYS  88  10.824 -11.777  -9.791
  672    HZ3  LYS  88           2HZ      LYS  88  10.433 -10.142  -9.644
  673    H    ALA  89           H        ALA  89   7.831  -5.682  -4.787
  674    HA   ALA  89           HA       ALA  89   9.251  -5.324  -2.419
  675    HB1  ALA  89           1HB      ALA  89   7.708  -3.534  -1.911
  676    HB2  ALA  89           2HB      ALA  89   6.540  -4.172  -3.066
  677    HB3  ALA  89           3HB      ALA  89   8.077  -3.521  -3.636
  678    H    GLY  90           H        GLY  90   6.157  -6.866  -3.008
  679    HA2  GLY  90           2HA      GLY  90   5.940  -7.439  -0.124
  680    HA3  GLY  90           1HA      GLY  90   4.591  -7.441  -1.252
  681    H    ASP  91           H        ASP  91   5.403  -8.971  -3.288
  682    HA   ASP  91           HA       ASP  91   5.264 -11.585  -2.089
  683    HB2  ASP  91           2HB      ASP  91   3.973 -10.920  -4.138
  684    HB3  ASP  91           1HB      ASP  91   5.500 -10.908  -5.021
  685    H    SER  92           H        SER  92   6.997 -12.709  -1.512
  686    HA   SER  92           HA       SER  92   9.598 -11.712  -2.340
  687    HB2  SER  92           2HB      SER  92   9.052 -12.213   0.068
  688    HB3  SER  92           1HB      SER  92   8.992 -13.920  -0.364
  689    HG   SER  92           HG       SER  92  11.150 -13.862  -0.874
  690    H    ASP  93           H        ASP  93   7.414 -14.142  -3.182
  691    HA   ASP  93           HA       ASP  93   9.386 -16.042  -4.125
  692    HB2  ASP  93           2HB      ASP  93   6.672 -16.083  -5.333
  693    HB3  ASP  93           1HB      ASP  93   7.654 -17.413  -4.743
  694    H    GLY  94           H        GLY  94   7.749 -13.252  -5.302
  695    HA2  GLY  94           2HA      GLY  94   7.914 -12.078  -7.269
  696    HA3  GLY  94           1HA      GLY  94   9.293 -13.090  -7.689
  697    H    ASP  95           H        ASP  95   6.107 -14.290  -6.875
  698    HA   ASP  95           HA       ASP  95   6.193 -15.926  -9.249
  699    HB2  ASP  95           2HB      ASP  95   4.249 -17.066  -8.329
  700    HB3  ASP  95           1HB      ASP  95   5.483 -16.877  -7.090
  701    H    GLY  96           H        GLY  96   4.967 -12.880  -8.571
  702    HA2  GLY  96           2HA      GLY  96   4.214 -11.570 -10.436
  703    HA3  GLY  96           1HA      GLY  96   3.456 -13.011 -11.094
  704    H    LYS  97           H        LYS  97   2.615 -13.334  -8.052
  705    HA   LYS  97           HA       LYS  97   0.300 -11.505  -8.248
  706    HB2  LYS  97           2HB      LYS  97  -1.123 -13.153  -7.507
  707    HB3  LYS  97           1HB      LYS  97   0.042 -14.152  -8.361
  708    HG2  LYS  97           2HG      LYS  97   1.173 -14.638  -6.232
  709    HG3  LYS  97           1HG      LYS  97  -0.022 -13.649  -5.391
  710    HD2  LYS  97           2HD      LYS  97  -0.572 -16.026  -5.227
  711    HD3  LYS  97           1HD      LYS  97  -1.806 -15.143  -6.126
  712    HE2  LYS  97           2HE      LYS  97  -1.308 -17.266  -7.202
  713    HE3  LYS  97           1HE      LYS  97  -0.826 -15.920  -8.231
  714    HZ1  LYS  97           3HZ      LYS  97   1.470 -16.227  -7.393
  715    HZ2  LYS  97           1HZ      LYS  97   0.883 -17.565  -8.255
  716    HZ3  LYS  97           2HZ      LYS  97   0.950 -17.616  -6.569
  717    H    ILE  98           H        ILE  98  -0.558 -10.774  -6.184
  718    HA   ILE  98           HA       ILE  98   1.607 -10.519  -4.215
  719    HB   ILE  98           HB       ILE  98  -0.828  -8.846  -4.760
  720   HG12  ILE  98          2HG1      ILE  98   1.229  -8.351  -6.007
  721   HG13  ILE  98          1HG1      ILE  98   0.788  -7.032  -4.927
  722   HG21  ILE  98          1HG2      ILE  98   0.922  -8.646  -2.322
  723   HG22  ILE  98          2HG2      ILE  98  -0.753  -9.198  -2.350
  724   HG23  ILE  98          3HG2      ILE  98  -0.367  -7.531  -2.777
  725   HD11  ILE  98          3HD1      ILE  98   2.978  -9.058  -4.558
  726   HD12  ILE  98          1HD1      ILE  98   2.447  -7.952  -3.290
  727   HD13  ILE  98          2HD1      ILE  98   3.133  -7.318  -4.783
  728    H    GLY  99           H        GLY  99   1.495 -12.175  -2.797
  729    HA2  GLY  99           2HA      GLY  99  -0.871 -13.250  -1.720
  730    HA3  GLY  99           1HA      GLY  99   0.688 -13.202  -0.895
  731    H    VAL 100           H        VAL 100  -2.216 -12.511  -0.048
  732    HA   VAL 100           HA       VAL 100  -2.500  -9.788   0.135
  733    HB   VAL 100           HB       VAL 100  -3.933 -10.356   2.152
  734   HG11  VAL 100          1HG1      VAL 100  -5.708 -11.180   0.715
  735   HG12  VAL 100          2HG1      VAL 100  -4.518 -11.743  -0.458
  736   HG13  VAL 100          3HG1      VAL 100  -4.728 -10.014  -0.179
  737   HG21  VAL 100          3HG2      VAL 100  -4.555 -12.648   2.487
  738   HG22  VAL 100          1HG2      VAL 100  -2.817 -12.470   2.725
  739   HG23  VAL 100          2HG2      VAL 100  -3.435 -13.165   1.225
  740    H    ASP 101           H        ASP 101  -0.952 -12.006   2.420
  741    HA   ASP 101           HA       ASP 101  -0.337  -9.853   4.223
  742    HB2  ASP 101           2HB      ASP 101   0.738 -11.540   5.581
  743    HB3  ASP 101           1HB      ASP 101  -0.819 -12.132   4.999
  744    H    GLU 102           H        GLU 102   1.137 -11.281   1.472
  745    HA   GLU 102           HA       GLU 102   3.803 -10.421   1.833
  746    HB2  GLU 102           2HB      GLU 102   2.184 -10.583  -0.732
  747    HB3  GLU 102           1HB      GLU 102   3.930 -10.405  -0.644
  748    HG2  GLU 102           2HG      GLU 102   2.446 -12.765   0.479
  749    HG3  GLU 102           1HG      GLU 102   3.100 -12.704  -1.156
  750    H    PHE 103           H        PHE 103   0.905  -8.882   0.548
  751    HA   PHE 103           HA       PHE 103   2.064  -6.447  -0.247
  752    HB2  PHE 103           2HB      PHE 103  -0.262  -7.389  -0.806
  753    HB3  PHE 103           1HB      PHE 103  -0.767  -6.728   0.744
  754    HD1  PHE 103           1HD      PHE 103   0.837  -5.769  -2.459
  755    HD2  PHE 103           2HD      PHE 103  -1.455  -4.514   0.897
  756    HE1  PHE 103           1HE      PHE 103   0.482  -3.586  -3.528
  757    HE2  PHE 103           2HE      PHE 103  -1.812  -2.324  -0.172
  758    HZ   PHE 103           HZ       PHE 103  -0.845  -1.860  -2.385
  759    H    GLY 104           H        GLY 104   0.380  -7.373   2.738
  760    HA2  GLY 104           2HA      GLY 104   0.525  -4.942   4.080
  761    HA3  GLY 104           1HA      GLY 104   0.498  -6.515   4.862
  762    H    ALA 105           H        ALA 105   2.965  -7.435   3.685
  763    HA   ALA 105           HA       ALA 105   4.776  -6.353   5.599
  764    HB1  ALA 105           1HB      ALA 105   5.335  -8.213   3.292
  765    HB2  ALA 105           2HB      ALA 105   4.830  -8.705   4.908
  766    HB3  ALA 105           3HB      ALA 105   6.389  -7.915   4.675
  767    H    MET 106           H        MET 106   4.207  -5.751   2.172
  768    HA   MET 106           HA       MET 106   6.706  -4.362   1.808
  769    HB2  MET 106           2HB      MET 106   6.101  -4.009  -0.395
  770    HB3  MET 106           1HB      MET 106   5.201  -5.472  -0.026
  771    HG2  MET 106           2HG      MET 106   3.170  -4.330   0.101
  772    HG3  MET 106           1HG      MET 106   3.957  -2.763   0.257
  773    HE1  MET 106           3HE      MET 106   4.531  -5.741  -2.373
  774    HE2  MET 106           1HE      MET 106   3.452  -5.164  -3.643
  775    HE3  MET 106           2HE      MET 106   2.798  -5.610  -2.067
  776    H    ILE 107           H        ILE 107   3.584  -3.569   2.977
  777    HA   ILE 107           HA       ILE 107   3.757  -0.738   2.457
  778    HB   ILE 107           HB       ILE 107   1.889  -2.246   4.296
  779   HG12  ILE 107          2HG1      ILE 107   1.424  -1.322   1.454
  780   HG13  ILE 107          1HG1      ILE 107   1.777  -2.985   1.919
  781   HG21  ILE 107          1HG2      ILE 107   0.460  -0.279   4.109
  782   HG22  ILE 107          2HG2      ILE 107   1.675   0.513   3.107
  783   HG23  ILE 107          3HG2      ILE 107   2.032   0.137   4.792
  784   HD11  ILE 107          3HD1      ILE 107  -0.612  -1.392   2.808
  785   HD12  ILE 107          1HD1      ILE 107  -0.266  -3.071   3.219
  786   HD13  ILE 107          2HD1      ILE 107  -0.601  -2.624   1.546
  787    H    LYS 108           H        LYS 108   4.282  -2.953   5.085
  788    HA   LYS 108           HA       LYS 108   4.833  -0.849   6.983
  789    HB2  LYS 108           2HB      LYS 108   3.646  -2.704   7.827
  790    HB3  LYS 108           1HB      LYS 108   4.768  -3.858   7.118
  791    HG2  LYS 108           2HG      LYS 108   5.854  -1.991   9.146
  792    HG3  LYS 108           1HG      LYS 108   4.740  -3.235   9.712
  793    HD2  LYS 108           2HD      LYS 108   7.237  -3.742   8.091
  794    HD3  LYS 108           1HD      LYS 108   7.103  -3.944   9.837
  795    HE2  LYS 108           2HE      LYS 108   5.316  -5.620   9.458
  796    HE3  LYS 108           1HE      LYS 108   5.575  -5.464   7.725
  797    HZ1  LYS 108           3HZ      LYS 108   7.869  -6.203   8.059
  798    HZ2  LYS 108           1HZ      LYS 108   6.754  -7.365   8.579
  799    HZ3  LYS 108           2HZ      LYS 108   7.568  -6.407   9.709
  800    H    ALA 109           H        ALA 109   6.535  -2.523   4.631
  801    HA   ALA 109           HA       ALA 109   9.111  -2.676   5.802
  802    HB1  ALA 109           1HB      ALA 109   8.469  -3.965   3.816
  803    HB2  ALA 109           2HB      ALA 109   9.916  -2.999   3.530
  804    HB3  ALA 109           3HB      ALA 109   8.361  -2.470   2.888
  Start of MODEL   19
    1    H1   MET   1           1HT      MET   1 -19.303   6.797   2.892
    2    H2   MET   1           2HT      MET   1 -20.568   7.798   3.389
    3    H3   MET   1           3HT      MET   1 -19.679   8.184   2.001
    4    HA   MET   1           HA       MET   1 -21.403   5.804   2.336
    5    HB2  MET   1           2HB      MET   1 -21.798   8.274   0.633
    6    HB3  MET   1           1HB      MET   1 -22.860   6.873   0.673
    7    HG2  MET   1           2HG      MET   1 -22.344   8.828   2.900
    8    HG3  MET   1           1HG      MET   1 -23.828   8.637   1.971
    9    HE1  MET   1           2HE      MET   1 -25.119   5.149   3.193
   10    HE2  MET   1           3HE      MET   1 -24.103   5.462   1.786
   11    HE3  MET   1           1HE      MET   1 -25.442   6.545   2.165
   12    H    ALA   2           H        ALA   2 -21.284   4.308   0.739
   13    HA   ALA   2           HA       ALA   2 -20.399   3.060  -0.932
   14    HB1  ALA   2           1HB      ALA   2 -19.547   4.124  -2.949
   15    HB2  ALA   2           2HB      ALA   2 -19.488   5.681  -2.122
   16    HB3  ALA   2           3HB      ALA   2 -21.040   4.900  -2.421
   17    H    PHE   3           H        PHE   3 -17.992   5.665  -0.827
   18    HA   PHE   3           HA       PHE   3 -16.045   3.712   0.195
   19    HB2  PHE   3           2HB      PHE   3 -15.624   6.116  -1.590
   20    HB3  PHE   3           1HB      PHE   3 -14.306   5.248  -0.808
   21    HD1  PHE   3           2HD      PHE   3 -13.700   3.009  -1.509
   22    HD2  PHE   3           1HD      PHE   3 -16.828   5.150  -3.447
   23    HE1  PHE   3           2HE      PHE   3 -13.627   1.415  -3.380
   24    HE2  PHE   3           1HE      PHE   3 -16.759   3.558  -5.321
   25    HZ   PHE   3           HZ       PHE   3 -15.157   1.687  -5.289
   26    H    ALA   4           H        ALA   4 -15.744   4.012   2.274
   27    HA   ALA   4           HA       ALA   4 -16.418   6.463   3.594
   28    HB1  ALA   4           1HB      ALA   4 -16.825   4.275   4.627
   29    HB2  ALA   4           2HB      ALA   4 -15.785   5.284   5.633
   30    HB3  ALA   4           3HB      ALA   4 -15.086   3.980   4.674
   31    H    GLY   5           H        GLY   5 -14.671   6.969   5.484
   32    HA2  GLY   5           2HA      GLY   5 -12.473   8.193   4.101
   33    HA3  GLY   5           1HA      GLY   5 -12.802   8.277   5.826
   34    H    ILE   6           H        ILE   6 -12.722   5.132   4.522
   35    HA   ILE   6           HA       ILE   6 -10.477   4.235   5.941
   36    HB   ILE   6           HB       ILE   6 -11.693   3.100   3.408
   37   HG12  ILE   6          2HG1      ILE   6 -13.236   3.341   5.379
   38   HG13  ILE   6          1HG1      ILE   6 -13.021   1.690   4.815
   39   HG21  ILE   6          1HG2      ILE   6  -9.879   1.793   5.441
   40   HG22  ILE   6          2HG2      ILE   6  -9.455   2.222   3.780
   41   HG23  ILE   6          3HG2      ILE   6 -10.666   0.977   4.086
   42   HD11  ILE   6          3HD1      ILE   6 -11.424   1.298   6.630
   43   HD12  ILE   6          1HD1      ILE   6 -13.015   1.769   7.224
   44   HD13  ILE   6          2HD1      ILE   6 -11.699   2.943   7.206
   45    H    LEU   7           H        LEU   7 -10.902   5.530   2.718
   46    HA   LEU   7           HA       LEU   7  -8.061   6.103   2.641
   47    HB2  LEU   7           2HB      LEU   7  -7.712   5.311   0.413
   48    HB3  LEU   7           1HB      LEU   7  -8.324   3.994   1.379
   49    HG   LEU   7           HG       LEU   7  -9.328   3.733  -0.710
   50   HD11  LEU   7          1HD1      LEU   7 -10.953   3.471   1.054
   51   HD12  LEU   7          2HD1      LEU   7 -11.709   4.099  -0.410
   52   HD13  LEU   7          3HD1      LEU   7 -11.377   5.179   0.945
   53   HD21  LEU   7          3HD2      LEU   7  -8.757   5.871  -1.682
   54   HD22  LEU   7          1HD2      LEU   7 -10.013   6.663  -0.731
   55   HD23  LEU   7          2HD2      LEU   7 -10.453   5.489  -1.972
   56    H    ASN   8           H        ASN   8  -7.563   7.996   1.619
   57    HA   ASN   8           HA       ASN   8  -9.861   9.616   0.799
   58    HB2  ASN   8           2HB      ASN   8  -7.126  10.299   1.822
   59    HB3  ASN   8           1HB      ASN   8  -8.050  11.484   0.903
   60   HD21  ASN   8          1HD2      ASN   8  -8.062   9.466   3.752
   61   HD22  ASN   8          2HD2      ASN   8  -9.154  10.436   4.675
   62    H    ASP   9           H        ASP   9 -10.249   9.502  -1.289
   63    HA   ASP   9           HA       ASP   9  -8.625   8.471  -3.264
   64    HB2  ASP   9           2HB      ASP   9 -10.873  10.474  -3.466
   65    HB3  ASP   9           1HB      ASP   9 -10.104   9.751  -4.873
   66    H    ALA  10           H        ALA  10  -8.869  11.768  -2.113
   67    HA   ALA  10           HA       ALA  10  -7.284  12.992  -4.101
   68    HB1  ALA  10           1HB      ALA  10  -7.079  14.837  -2.499
   69    HB2  ALA  10           2HB      ALA  10  -7.748  13.804  -1.234
   70    HB3  ALA  10           3HB      ALA  10  -8.741  14.259  -2.618
   71    H    ASP  11           H        ASP  11  -6.461  11.661  -0.901
   72    HA   ASP  11           HA       ASP  11  -3.728  12.345  -0.981
   73    HB2  ASP  11           2HB      ASP  11  -5.345  10.413   0.626
   74    HB3  ASP  11           1HB      ASP  11  -3.591  10.291   0.671
   75    H    ILE  12           H        ILE  12  -5.451   9.425  -1.870
   76    HA   ILE  12           HA       ILE  12  -3.264   7.899  -2.711
   77    HB   ILE  12           HB       ILE  12  -6.173   7.930  -3.367
   78   HG12  ILE  12          2HG1      ILE  12  -6.011   5.586  -2.503
   79   HG13  ILE  12          1HG1      ILE  12  -4.301   5.858  -2.205
   80   HG21  ILE  12          1HG2      ILE  12  -5.171   7.434  -5.518
   81   HG22  ILE  12          2HG2      ILE  12  -5.902   5.975  -4.849
   82   HG23  ILE  12          3HG2      ILE  12  -4.153   6.194  -4.787
   83   HD11  ILE  12          3HD1      ILE  12  -5.596   6.065  -0.171
   84   HD12  ILE  12          1HD1      ILE  12  -6.576   7.334  -0.907
   85   HD13  ILE  12          2HD1      ILE  12  -4.861   7.609  -0.603
   86    H    THR  13           H        THR  13  -5.452   9.921  -4.668
   87    HA   THR  13           HA       THR  13  -4.152   9.766  -7.095
   88    HB   THR  13           HB       THR  13  -5.634  12.134  -5.944
   89    HG1  THR  13           1HG      THR  13  -6.964  10.323  -5.984
   90   HG21  THR  13          3HG2      THR  13  -6.055  12.758  -8.268
   91   HG22  THR  13          1HG2      THR  13  -5.057  11.409  -8.815
   92   HG23  THR  13          2HG2      THR  13  -4.325  12.741  -7.919
   93    H    ALA  14           H        ALA  14  -3.427  11.850  -4.331
   94    HA   ALA  14           HA       ALA  14  -1.565  13.544  -5.571
   95    HB1  ALA  14           1HB      ALA  14  -2.496  13.992  -3.355
   96    HB2  ALA  14           2HB      ALA  14  -0.733  14.002  -3.319
   97    HB3  ALA  14           3HB      ALA  14  -1.619  12.608  -2.702
   98    H    ALA  15           H        ALA  15  -1.134  10.447  -3.897
   99    HA   ALA  15           HA       ALA  15   1.660  10.262  -4.251
  100    HB1  ALA  15           1HB      ALA  15  -0.338   8.015  -4.005
  101    HB2  ALA  15           2HB      ALA  15   0.385   8.887  -2.652
  102    HB3  ALA  15           3HB      ALA  15   1.398   7.911  -3.717
  103    H    LEU  16           H        LEU  16  -1.076   9.169  -6.208
  104    HA   LEU  16           HA       LEU  16   0.419   7.870  -8.222
  105    HB2  LEU  16           2HB      LEU  16  -2.337   9.013  -8.068
  106    HB3  LEU  16           1HB      LEU  16  -1.704   8.535  -9.627
  107    HG   LEU  16           HG       LEU  16  -3.075   6.772  -8.724
  108   HD11  LEU  16          1HD1      LEU  16  -1.091   6.137 -10.027
  109   HD12  LEU  16          2HD1      LEU  16  -1.540   4.913  -8.841
  110   HD13  LEU  16          3HD1      LEU  16  -0.175   5.983  -8.528
  111   HD21  LEU  16          3HD2      LEU  16  -2.564   5.616  -6.665
  112   HD22  LEU  16          1HD2      LEU  16  -2.873   7.328  -6.362
  113   HD23  LEU  16          2HD2      LEU  16  -1.217   6.718  -6.364
  114    H    ALA  17           H        ALA  17  -0.224  11.210  -7.589
  115    HA   ALA  17           HA       ALA  17   0.404  12.169 -10.207
  116    HB1  ALA  17           1HB      ALA  17  -0.973  13.465  -8.648
  117    HB2  ALA  17           2HB      ALA  17   0.441  14.375  -9.180
  118    HB3  ALA  17           3HB      ALA  17   0.416  13.643  -7.576
  119    H    ALA  18           H        ALA  18   2.212  11.646  -7.232
  120    HA   ALA  18           HA       ALA  18   4.642  12.776  -8.294
  121    HB1  ALA  18           1HB      ALA  18   5.668  11.947  -6.220
  122    HB2  ALA  18           2HB      ALA  18   4.163  11.120  -5.819
  123    HB3  ALA  18           3HB      ALA  18   4.205  12.880  -5.907
  124    H    CYS  19           H        CYS  19   3.128   9.671  -8.131
  125    HA   CYS  19           HA       CYS  19   5.504   8.421  -9.339
  126    HB2  CYS  19           2HB      CYS  19   3.314   7.110  -7.713
  127    HB3  CYS  19           1HB      CYS  19   4.724   6.302  -8.390
  128    HG   CYS  19           HG       CYS  19   6.007   8.664  -6.672
  129    H    LYS  20           H        LYS  20   4.289   9.589 -11.228
  130    HA   LYS  20           HA       LYS  20   2.277   7.775 -12.351
  131    HB2  LYS  20           2HB      LYS  20   1.681  10.194 -12.045
  132    HB3  LYS  20           1HB      LYS  20   2.941  10.596 -13.202
  133    HG2  LYS  20           2HG      LYS  20   1.787   9.283 -14.904
  134    HG3  LYS  20           1HG      LYS  20   0.510   8.920 -13.745
  135    HD2  LYS  20           2HD      LYS  20   0.018  11.314 -13.548
  136    HD3  LYS  20           1HD      LYS  20   1.285  11.666 -14.722
  137    HE2  LYS  20           2HE      LYS  20  -1.200  10.032 -15.227
  138    HE3  LYS  20           1HE      LYS  20  -0.921  11.685 -15.770
  139    HZ1  LYS  20           3HZ      LYS  20   0.937  10.887 -17.101
  140    HZ2  LYS  20           1HZ      LYS  20  -0.499  10.109 -17.536
  141    HZ3  LYS  20           2HZ      LYS  20   0.646   9.300 -16.595
  142    H    ALA  21           H        ALA  21   5.478   8.129 -12.395
  143    HA   ALA  21           HA       ALA  21   5.712   7.350 -15.217
  144    HB1  ALA  21           1HB      ALA  21   7.715   8.690 -15.481
  145    HB2  ALA  21           2HB      ALA  21   7.592   9.246 -13.812
  146    HB3  ALA  21           3HB      ALA  21   6.366   9.716 -14.990
  147    H    GLU  22           H        GLU  22   7.132   5.723 -15.635
  148    HA   GLU  22           HA       GLU  22   7.929   4.034 -13.520
  149    HB2  GLU  22           2HB      GLU  22   7.454   3.264 -15.838
  150    HB3  GLU  22           1HB      GLU  22   8.933   4.050 -16.373
  151    HG2  GLU  22           2HG      GLU  22  10.214   2.586 -14.853
  152    HG3  GLU  22           1HG      GLU  22   8.716   1.755 -14.438
  153    H    GLY  23           H        GLY  23   9.537   4.344 -12.161
  154    HA2  GLY  23           2HA      GLY  23  11.917   4.579 -11.779
  155    HA3  GLY  23           1HA      GLY  23  11.954   5.749 -13.093
  156    H    SER  24           H        SER  24   9.364   6.877 -12.075
  157    HA   SER  24           HA       SER  24  10.586   8.662 -10.109
  158    HB2  SER  24           2HB      SER  24   9.546   9.661 -12.121
  159    HB3  SER  24           1HB      SER  24   7.997   8.952 -11.663
  160    HG   SER  24           HG       SER  24   8.418  10.181  -9.587
  161    H    PHE  25           H        PHE  25   8.743   5.928 -10.105
  162    HA   PHE  25           HA       PHE  25   6.894   6.653  -8.023
  163    HB2  PHE  25           2HB      PHE  25   6.310   4.259  -7.975
  164    HB3  PHE  25           1HB      PHE  25   6.244   4.914  -9.611
  165    HD1  PHE  25           1HD      PHE  25   7.962   4.298 -11.250
  166    HD2  PHE  25           2HD      PHE  25   7.865   2.569  -7.365
  167    HE1  PHE  25           1HE      PHE  25   9.460   2.503 -12.014
  168    HE2  PHE  25           2HE      PHE  25   9.365   0.775  -8.121
  169    HZ   PHE  25           HZ       PHE  25  10.164   0.743 -10.451
  170    H    ASP  26           H        ASP  26   6.989   6.147  -5.892
  171    HA   ASP  26           HA       ASP  26   9.175   4.436  -4.978
  172    HB2  ASP  26           2HB      ASP  26   9.810   6.822  -4.541
  173    HB3  ASP  26           1HB      ASP  26   8.378   6.969  -3.526
  174    H    HIS  27           H        HIS  27   8.032   2.737  -4.451
  175    HA   HIS  27           HA       HIS  27   5.376   2.619  -3.755
  176    HB2  HIS  27           2HB      HIS  27   5.689   0.332  -3.478
  177    HB3  HIS  27           1HB      HIS  27   7.104   0.770  -4.411
  178    HD1  HIS  27           1HD      HIS  27   9.398   0.573  -3.307
  179    HD2  HIS  27           2HD      HIS  27   6.240  -0.447  -0.806
  180    HE1  HIS  27           1HE      HIS  27  10.441  -0.587  -1.340
  181    HE2  HIS  27           2HE      HIS  27   8.539  -0.943   0.267
  182    H    LYS  28           H        LYS  28   8.124   3.046  -1.692
  183    HA   LYS  28           HA       LYS  28   6.803   2.612   0.771
  184    HB2  LYS  28           2HB      LYS  28   9.288   2.620   0.185
  185    HB3  LYS  28           1HB      LYS  28   9.180   4.369   0.279
  186    HG2  LYS  28           2HG      LYS  28   8.431   2.551   2.559
  187    HG3  LYS  28           1HG      LYS  28  10.053   3.202   2.338
  188    HD2  LYS  28           2HD      LYS  28   7.598   4.929   2.548
  189    HD3  LYS  28           1HD      LYS  28   8.561   4.451   3.945
  190    HE2  LYS  28           2HE      LYS  28   9.587   5.970   1.548
  191    HE3  LYS  28           1HE      LYS  28   9.164   6.684   3.102
  192    HZ1  LYS  28           3HZ      LYS  28  10.896   5.364   4.145
  193    HZ2  LYS  28           1HZ      LYS  28  11.541   6.317   2.906
  194    HZ3  LYS  28           2HZ      LYS  28  11.296   4.664   2.658
  195    H    ALA  29           H        ALA  29   7.743   5.573  -0.976
  196    HA   ALA  29           HA       ALA  29   6.586   7.454   0.700
  197    HB1  ALA  29           1HB      ALA  29   8.077   7.991  -1.186
  198    HB2  ALA  29           2HB      ALA  29   6.611   8.970  -1.177
  199    HB3  ALA  29           3HB      ALA  29   6.763   7.623  -2.303
  200    H    PHE  30           H        PHE  30   5.117   5.469  -1.794
  201    HA   PHE  30           HA       PHE  30   2.636   6.709  -2.006
  202    HB2  PHE  30           2HB      PHE  30   3.328   4.909  -3.501
  203    HB3  PHE  30           1HB      PHE  30   3.318   3.762  -2.168
  204    HD1  PHE  30           2HD      PHE  30   1.193   5.842  -4.345
  205    HD2  PHE  30           1HD      PHE  30   1.310   2.719  -1.460
  206    HE1  PHE  30           2HE      PHE  30  -1.155   5.301  -4.840
  207    HE2  PHE  30           1HE      PHE  30  -1.036   2.171  -1.950
  208    HZ   PHE  30           HZ       PHE  30  -2.274   3.464  -3.641
  209    H    PHE  31           H        PHE  31   3.504   3.961   0.136
  210    HA   PHE  31           HA       PHE  31   0.936   3.931   1.356
  211    HB2  PHE  31           2HB      PHE  31   3.504   2.675   2.338
  212    HB3  PHE  31           1HB      PHE  31   1.892   2.327   2.950
  213    HD1  PHE  31           2HD      PHE  31   0.151   1.581   1.162
  214    HD2  PHE  31           1HD      PHE  31   4.367   1.346   0.665
  215    HE1  PHE  31           2HE      PHE  31  -0.155  -0.122  -0.582
  216    HE2  PHE  31           1HE      PHE  31   4.069  -0.353  -1.086
  217    HZ   PHE  31           HZ       PHE  31   1.806  -1.090  -1.712
  218    H    THR  32           H        THR  32   3.973   5.468   2.276
  219    HA   THR  32           HA       THR  32   3.027   6.165   4.887
  220    HB   THR  32           HB       THR  32   5.421   5.925   4.500
  221    HG1  THR  32           1HG      THR  32   5.359   8.645   5.003
  222   HG21  THR  32          3HG2      THR  32   5.145   8.345   2.720
  223   HG22  THR  32          1HG2      THR  32   5.569   6.711   2.210
  224   HG23  THR  32          2HG2      THR  32   6.671   7.627   3.236
  225    H    LYS  33           H        LYS  33   2.706   7.538   1.749
  226    HA   LYS  33           HA       LYS  33   2.126  10.207   2.695
  227    HB2  LYS  33           2HB      LYS  33   3.233   9.712   0.516
  228    HB3  LYS  33           1HB      LYS  33   1.718   9.031  -0.053
  229    HG2  LYS  33           2HG      LYS  33   0.631  11.162   0.100
  230    HG3  LYS  33           1HG      LYS  33   2.053  11.878   0.863
  231    HD2  LYS  33           2HD      LYS  33   1.970  10.717  -1.922
  232    HD3  LYS  33           1HD      LYS  33   1.885  12.438  -1.536
  233    HE2  LYS  33           2HE      LYS  33   4.098  12.293  -0.478
  234    HE3  LYS  33           1HE      LYS  33   4.183  10.585  -0.899
  235    HZ1  LYS  33           3HZ      LYS  33   5.403  11.936  -2.470
  236    HZ2  LYS  33           1HZ      LYS  33   4.016  12.835  -2.825
  237    HZ3  LYS  33           2HZ      LYS  33   4.089  11.197  -3.231
  238    H    VAL  34           H        VAL  34   0.284   7.525   1.233
  239    HA   VAL  34           HA       VAL  34  -2.215   8.827   1.493
  240    HB   VAL  34           HB       VAL  34  -3.166   6.701   0.883
  241   HG11  VAL  34          1HG1      VAL  34  -2.046   6.331  -1.247
  242   HG12  VAL  34          2HG1      VAL  34  -0.649   7.232  -0.660
  243   HG13  VAL  34          3HG1      VAL  34  -2.194   8.051  -0.887
  244   HG21  VAL  34          3HG2      VAL  34  -0.417   5.541   1.225
  245   HG22  VAL  34          1HG2      VAL  34  -1.826   4.686   0.597
  246   HG23  VAL  34          2HG2      VAL  34  -1.802   5.238   2.272
  247    H    GLY  35           H        GLY  35  -0.161   7.384   3.724
  248    HA2  GLY  35           2HA      GLY  35  -0.420   7.267   6.017
  249    HA3  GLY  35           1HA      GLY  35  -2.104   7.724   5.817
  250    H    LEU  36           H        LEU  36  -0.803   5.036   4.029
  251    HA   LEU  36           HA       LEU  36  -2.736   3.316   5.308
  252    HB2  LEU  36           2HB      LEU  36  -2.092   3.326   2.815
  253    HB3  LEU  36           1HB      LEU  36  -0.681   2.411   3.315
  254    HG   LEU  36           HG       LEU  36  -2.340   0.786   4.404
  255   HD11  LEU  36          1HD1      LEU  36  -4.263   2.331   4.259
  256   HD12  LEU  36          2HD1      LEU  36  -4.571   0.756   3.534
  257   HD13  LEU  36          3HD1      LEU  36  -4.237   2.148   2.506
  258   HD21  LEU  36          3HD2      LEU  36  -2.282   1.048   1.403
  259   HD22  LEU  36          1HD2      LEU  36  -2.690  -0.407   2.313
  260   HD23  LEU  36          2HD2      LEU  36  -1.061   0.258   2.402
  261    H    ALA  37           H        ALA  37   0.551   4.083   5.700
  262    HA   ALA  37           HA       ALA  37   1.533   1.616   6.690
  263    HB1  ALA  37           1HB      ALA  37   2.535   4.404   7.248
  264    HB2  ALA  37           2HB      ALA  37   2.993   3.408   5.867
  265    HB3  ALA  37           3HB      ALA  37   3.426   2.904   7.500
  266    H    ALA  38           H        ALA  38  -0.585   3.889   8.042
  267    HA   ALA  38           HA       ALA  38  -0.036   2.894  10.758
  268    HB1  ALA  38           1HB      ALA  38  -1.279   5.525   9.966
  269    HB2  ALA  38           2HB      ALA  38   0.381   5.297  10.514
  270    HB3  ALA  38           3HB      ALA  38  -0.962   4.977  11.612
  271    H    LYS  39           H        LYS  39  -1.628   1.440   8.948
  272    HA   LYS  39           HA       LYS  39  -4.385   2.019   9.747
  273    HB2  LYS  39           2HB      LYS  39  -3.262   0.199   7.626
  274    HB3  LYS  39           1HB      LYS  39  -4.972   0.291   8.025
  275    HG2  LYS  39           2HG      LYS  39  -3.236   2.464   6.896
  276    HG3  LYS  39           1HG      LYS  39  -4.579   1.638   6.105
  277    HD2  LYS  39           2HD      LYS  39  -6.018   2.553   8.015
  278    HD3  LYS  39           1HD      LYS  39  -4.659   3.623   8.358
  279    HE2  LYS  39           2HE      LYS  39  -6.228   4.778   6.949
  280    HE3  LYS  39           1HE      LYS  39  -4.769   4.434   6.020
  281    HZ1  LYS  39           3HZ      LYS  39  -7.183   2.712   5.953
  282    HZ2  LYS  39           1HZ      LYS  39  -5.851   2.657   4.916
  283    HZ3  LYS  39           2HZ      LYS  39  -6.918   3.971   4.852
  284    H    SER  40           H        SER  40  -5.792   0.173  10.194
  285    HA   SER  40           HA       SER  40  -4.500  -1.701  12.036
  286    HB2  SER  40           2HB      SER  40  -7.442  -1.047  11.715
  287    HB3  SER  40           1HB      SER  40  -6.693  -1.933  13.042
  288    HG   SER  40           HG       SER  40  -5.384   0.214  13.116
  289    HA   PRO  41           HA       PRO  41  -4.941  -5.442   9.754
  290    HB2  PRO  41           2HB      PRO  41  -7.042  -6.241  11.734
  291    HB3  PRO  41           1HB      PRO  41  -5.677  -7.175  11.107
  292    HG2  PRO  41           2HG      PRO  41  -5.541  -6.052  13.509
  293    HG3  PRO  41           1HG      PRO  41  -4.133  -6.058  12.431
  294    HD2  PRO  41           2HD      PRO  41  -5.936  -3.821  13.177
  295    HD3  PRO  41           1HD      PRO  41  -4.223  -3.788  12.718
  296    H    ALA  42           H        ALA  42  -8.178  -4.394  10.894
  297    HA   ALA  42           HA       ALA  42  -9.619  -5.675   8.841
  298    HB1  ALA  42           1HB      ALA  42 -10.430  -3.256  10.450
  299    HB2  ALA  42           2HB      ALA  42 -10.635  -4.937  10.942
  300    HB3  ALA  42           3HB      ALA  42 -11.508  -4.315   9.541
  301    H    ASP  43           H        ASP  43  -8.157  -2.500   9.021
  302    HA   ASP  43           HA       ASP  43  -9.444  -1.413   6.719
  303    HB2  ASP  43           2HB      ASP  43  -8.430  -0.055   8.554
  304    HB3  ASP  43           1HB      ASP  43  -6.839  -0.574   8.019
  305    H    ILE  44           H        ILE  44  -6.275  -2.854   7.361
  306    HA   ILE  44           HA       ILE  44  -5.472  -2.741   4.637
  307    HB   ILE  44           HB       ILE  44  -4.337  -3.869   7.129
  308   HG12  ILE  44          2HG1      ILE  44  -3.251  -2.238   4.822
  309   HG13  ILE  44          1HG1      ILE  44  -3.836  -1.605   6.355
  310   HG21  ILE  44          1HG2      ILE  44  -3.391  -4.787   4.411
  311   HG22  ILE  44          2HG2      ILE  44  -4.117  -5.801   5.658
  312   HG23  ILE  44          3HG2      ILE  44  -2.545  -5.052   5.936
  313   HD11  ILE  44          3HD1      ILE  44  -1.990  -2.612   7.517
  314   HD12  ILE  44          1HD1      ILE  44  -1.389  -1.650   6.163
  315   HD13  ILE  44          2HD1      ILE  44  -1.453  -3.410   6.037
  316    H    LYS  45           H        LYS  45  -7.419  -4.924   6.458
  317    HA   LYS  45           HA       LYS  45  -7.277  -7.189   4.793
  318    HB2  LYS  45           2HB      LYS  45  -8.419  -7.042   7.043
  319    HB3  LYS  45           1HB      LYS  45  -9.746  -6.217   6.234
  320    HG2  LYS  45           2HG      LYS  45 -10.311  -8.528   6.476
  321    HG3  LYS  45           1HG      LYS  45 -10.019  -8.195   4.767
  322    HD2  LYS  45           2HD      LYS  45  -7.710  -9.072   5.044
  323    HD3  LYS  45           1HD      LYS  45  -8.115  -9.510   6.705
  324    HE2  LYS  45           2HE      LYS  45  -9.917 -10.957   5.848
  325    HE3  LYS  45           1HE      LYS  45  -9.429 -10.547   4.204
  326    HZ1  LYS  45           3HZ      LYS  45  -7.278 -11.544   4.616
  327    HZ2  LYS  45           1HZ      LYS  45  -8.503 -12.665   4.923
  328    HZ3  LYS  45           2HZ      LYS  45  -7.712 -11.907   6.209
  329    H    LYS  46           H        LYS  46  -9.435  -4.326   4.648
  330    HA   LYS  46           HA       LYS  46 -10.610  -5.208   2.202
  331    HB2  LYS  46           2HB      LYS  46 -11.564  -2.964   2.005
  332    HB3  LYS  46           1HB      LYS  46 -11.817  -3.629   3.605
  333    HG2  LYS  46           2HG      LYS  46 -11.289  -1.402   3.980
  334    HG3  LYS  46           1HG      LYS  46  -9.783  -2.256   4.309
  335    HD2  LYS  46           2HD      LYS  46  -9.351  -0.241   3.011
  336    HD3  LYS  46           1HD      LYS  46  -8.977  -1.678   2.065
  337    HE2  LYS  46           2HE      LYS  46 -10.194   0.098   0.801
  338    HE3  LYS  46           1HE      LYS  46 -10.983  -1.475   0.797
  339    HZ1  LYS  46           3HZ      LYS  46 -12.559   0.319   1.160
  340    HZ2  LYS  46           1HZ      LYS  46 -11.722   0.815   2.540
  341    HZ3  LYS  46           2HZ      LYS  46 -12.488  -0.688   2.515
  342    H    VAL  47           H        VAL  47  -7.706  -3.573   3.051
  343    HA   VAL  47           HA       VAL  47  -7.009  -2.628   0.481
  344    HB   VAL  47           HB       VAL  47  -5.258  -3.441   2.800
  345   HG11  VAL  47          1HG1      VAL  47  -4.021  -3.582   0.680
  346   HG12  VAL  47          2HG1      VAL  47  -3.451  -2.253   1.689
  347   HG13  VAL  47          3HG1      VAL  47  -4.494  -1.926   0.304
  348   HG21  VAL  47          3HG2      VAL  47  -5.980  -0.697   1.787
  349   HG22  VAL  47          1HG2      VAL  47  -5.126  -1.103   3.274
  350   HG23  VAL  47          2HG2      VAL  47  -6.837  -1.509   3.099
  351    H    PHE  48           H        PHE  48  -6.742  -5.783   2.047
  352    HA   PHE  48           HA       PHE  48  -5.366  -7.179   0.065
  353    HB2  PHE  48           2HB      PHE  48  -5.817  -8.750   1.620
  354    HB3  PHE  48           1HB      PHE  48  -7.184  -7.843   2.243
  355    HD1  PHE  48           2HD      PHE  48  -6.309 -10.012  -0.693
  356    HD2  PHE  48           1HD      PHE  48  -9.259  -8.808   2.130
  357    HE1  PHE  48           2HE      PHE  48  -7.854 -11.698  -1.593
  358    HE2  PHE  48           1HE      PHE  48 -10.807 -10.495   1.234
  359    HZ   PHE  48           HZ       PHE  48 -10.106 -11.940  -0.631
  360    H    GLU  49           H        GLU  49  -8.805  -6.418   0.334
  361    HA   GLU  49           HA       GLU  49  -9.579  -7.492  -2.163
  362    HB2  GLU  49           2HB      GLU  49 -10.832  -5.198  -0.645
  363    HB3  GLU  49           1HB      GLU  49 -11.603  -6.150  -1.905
  364    HG2  GLU  49           2HG      GLU  49 -11.532  -8.120  -0.510
  365    HG3  GLU  49           1HG      GLU  49 -10.660  -7.232   0.740
  366    H    ILE  50           H        ILE  50  -7.787  -4.713  -1.366
  367    HA   ILE  50           HA       ILE  50  -8.448  -3.151  -3.659
  368    HB   ILE  50           HB       ILE  50  -6.203  -2.929  -1.683
  369   HG12  ILE  50          2HG1      ILE  50  -8.372  -2.473  -0.742
  370   HG13  ILE  50          1HG1      ILE  50  -7.523  -0.953  -0.960
  371   HG21  ILE  50          1HG2      ILE  50  -5.975  -0.594  -2.643
  372   HG22  ILE  50          2HG2      ILE  50  -6.867  -1.197  -4.042
  373   HG23  ILE  50          3HG2      ILE  50  -5.319  -1.918  -3.601
  374   HD11  ILE  50          3HD1      ILE  50  -9.748  -2.052  -2.632
  375   HD12  ILE  50          1HD1      ILE  50  -8.807  -0.622  -3.057
  376   HD13  ILE  50          2HD1      ILE  50  -9.780  -0.635  -1.585
  377    H    ILE  51           H        ILE  51  -5.465  -5.061  -2.866
  378    HA   ILE  51           HA       ILE  51  -4.428  -4.702  -5.515
  379    HB   ILE  51           HB       ILE  51  -2.933  -6.751  -4.955
  380   HG12  ILE  51          2HG1      ILE  51  -4.565  -7.210  -2.891
  381   HG13  ILE  51          1HG1      ILE  51  -2.851  -7.599  -2.801
  382   HG21  ILE  51          1HG2      ILE  51  -2.170  -4.447  -5.019
  383   HG22  ILE  51          2HG2      ILE  51  -1.372  -5.361  -3.738
  384   HG23  ILE  51          3HG2      ILE  51  -2.662  -4.220  -3.340
  385   HD11  ILE  51          3HD1      ILE  51  -2.456  -5.482  -1.627
  386   HD12  ILE  51          1HD1      ILE  51  -3.595  -6.523  -0.775
  387   HD13  ILE  51          2HD1      ILE  51  -4.185  -5.135  -1.689
  388    H    ASP  52           H        ASP  52  -6.436  -7.043  -3.919
  389    HA   ASP  52           HA       ASP  52  -6.552  -8.759  -6.241
  390    HB2  ASP  52           2HB      ASP  52  -6.972  -9.307  -3.645
  391    HB3  ASP  52           1HB      ASP  52  -8.630  -8.911  -4.105
  392    H    GLN  53           H        GLN  53  -7.121  -7.043  -7.701
  393    HA   GLN  53           HA       GLN  53  -9.368  -5.390  -7.501
  394    HB2  GLN  53           2HB      GLN  53  -7.495  -5.142  -9.128
  395    HB3  GLN  53           1HB      GLN  53  -8.099  -6.538 -10.002
  396    HG2  GLN  53           2HG      GLN  53  -9.809  -4.121  -9.572
  397    HG3  GLN  53           1HG      GLN  53  -8.635  -4.199 -10.883
  398   HE21  GLN  53          1HE2      GLN  53 -11.551  -4.024 -10.964
  399   HE22  GLN  53          2HE2      GLN  53 -12.083  -5.390 -11.880
  400    H    ASP  54           H        ASP  54  -8.963  -8.663  -8.538
  401    HA   ASP  54           HA       ASP  54 -11.810  -8.901  -9.243
  402    HB2  ASP  54           2HB      ASP  54 -11.229 -10.584 -10.648
  403    HB3  ASP  54           1HB      ASP  54  -9.625  -9.876 -10.511
  404    H    LYS  55           H        LYS  55  -9.923  -9.209  -6.578
  405    HA   LYS  55           HA       LYS  55  -9.983 -10.357  -4.628
  406    HB2  LYS  55           2HB      LYS  55 -12.267 -10.206  -3.533
  407    HB3  LYS  55           1HB      LYS  55 -11.498  -8.719  -4.055
  408    HG2  LYS  55           2HG      LYS  55 -12.929  -8.779  -6.094
  409    HG3  LYS  55           1HG      LYS  55 -13.774 -10.161  -5.387
  410    HD2  LYS  55           2HD      LYS  55 -14.405  -8.831  -3.464
  411    HD3  LYS  55           1HD      LYS  55 -13.482  -7.462  -4.088
  412    HE2  LYS  55           2HE      LYS  55 -15.819  -8.723  -5.520
  413    HE3  LYS  55           1HE      LYS  55 -15.958  -7.323  -4.462
  414    HZ1  LYS  55           3HZ      LYS  55 -14.491  -6.099  -5.922
  415    HZ2  LYS  55           1HZ      LYS  55 -15.805  -6.698  -6.799
  416    HZ3  LYS  55           2HZ      LYS  55 -14.297  -7.449  -6.919
  417    H    SER  56           H        SER  56  -9.396 -12.342  -5.815
  418    HA   SER  56           HA       SER  56 -11.371 -14.450  -5.229
  419    HB2  SER  56           2HB      SER  56  -9.278 -14.404  -7.413
  420    HB3  SER  56           1HB      SER  56 -10.300 -15.788  -7.026
  421    HG   SER  56           HG       SER  56 -10.865 -13.568  -8.496
  422    H    ASP  57           H        ASP  57  -9.186 -13.182  -3.626
  423    HA   ASP  57           HA       ASP  57  -7.960 -13.895  -1.849
  424    HB2  ASP  57           2HB      ASP  57  -8.370 -16.668  -2.963
  425    HB3  ASP  57           1HB      ASP  57  -7.494 -16.321  -1.480
  426    H    PHE  58           H        PHE  58  -7.139 -14.040  -4.999
  427    HA   PHE  58           HA       PHE  58  -4.300 -14.036  -4.296
  428    HB2  PHE  58           2HB      PHE  58  -5.354 -15.350  -6.815
  429    HB3  PHE  58           1HB      PHE  58  -3.668 -15.241  -6.307
  430    HD1  PHE  58           1HD      PHE  58  -2.858 -16.601  -4.425
  431    HD2  PHE  58           2HD      PHE  58  -6.809 -17.020  -5.949
  432    HE1  PHE  58           1HE      PHE  58  -3.062 -18.775  -3.291
  433    HE2  PHE  58           2HE      PHE  58  -7.021 -19.193  -4.815
  434    HZ   PHE  58           HZ       PHE  58  -5.146 -20.073  -3.484
  435    H    VAL  59           H        VAL  59  -3.190 -12.402  -5.286
  436    HA   VAL  59           HA       VAL  59  -4.784 -10.749  -7.110
  437    HB   VAL  59           HB       VAL  59  -4.415  -8.927  -5.894
  438   HG11  VAL  59          1HG1      VAL  59  -5.118 -10.460  -4.166
  439   HG12  VAL  59          2HG1      VAL  59  -4.040  -9.226  -3.516
  440   HG13  VAL  59          3HG1      VAL  59  -3.434 -10.854  -3.822
  441   HG21  VAL  59          3HG2      VAL  59  -2.226  -8.468  -6.498
  442   HG22  VAL  59          1HG2      VAL  59  -1.605  -9.819  -5.551
  443   HG23  VAL  59          2HG2      VAL  59  -2.252  -8.406  -4.735
  444    H    GLU  60           H        GLU  60  -4.022 -10.808  -9.095
  445    HA   GLU  60           HA       GLU  60  -1.260 -11.630  -9.540
  446    HB2  GLU  60           2HB      GLU  60  -3.664 -11.453 -11.333
  447    HB3  GLU  60           1HB      GLU  60  -2.050 -11.690 -11.981
  448    HG2  GLU  60           2HG      GLU  60  -3.040 -13.819 -11.820
  449    HG3  GLU  60           1HG      GLU  60  -1.858 -13.711 -10.521
  450    H    GLU  61           H        GLU  61  -0.440 -10.628 -11.815
  451    HA   GLU  61           HA       GLU  61   0.228  -7.935 -11.192
  452    HB2  GLU  61           2HB      GLU  61   1.836  -9.309 -12.347
  453    HB3  GLU  61           1HB      GLU  61   0.711  -9.584 -13.671
  454    HG2  GLU  61           2HG      GLU  61   0.835  -7.266 -14.318
  455    HG3  GLU  61           1HG      GLU  61   1.855  -6.894 -12.931
  456    H    ASP  62           H        ASP  62  -1.782  -9.403 -13.752
  457    HA   ASP  62           HA       ASP  62  -2.593  -7.020 -14.980
  458    HB2  ASP  62           2HB      ASP  62  -3.991  -9.681 -14.712
  459    HB3  ASP  62           1HB      ASP  62  -4.686  -8.340 -15.617
  460    H    GLU  63           H        GLU  63  -3.568  -8.526 -12.028
  461    HA   GLU  63           HA       GLU  63  -5.852  -6.897 -11.571
  462    HB2  GLU  63           2HB      GLU  63  -4.125  -8.567  -9.760
  463    HB3  GLU  63           1HB      GLU  63  -5.471  -7.602  -9.153
  464    HG2  GLU  63           2HG      GLU  63  -6.884  -8.811 -10.892
  465    HG3  GLU  63           1HG      GLU  63  -5.538  -9.947 -11.009
  466    H    LEU  64           H        LEU  64  -2.491  -6.781 -10.363
  467    HA   LEU  64           HA       LEU  64  -2.841  -4.398  -8.924
  468    HB2  LEU  64           2HB      LEU  64  -0.637  -6.113  -9.573
  469    HB3  LEU  64           1HB      LEU  64  -0.174  -4.421  -9.685
  470    HG   LEU  64           HG       LEU  64  -1.574  -4.431  -7.357
  471   HD11  LEU  64          1HD1      LEU  64  -1.858  -6.827  -7.394
  472   HD12  LEU  64          2HD1      LEU  64  -0.833  -6.333  -6.047
  473   HD13  LEU  64          3HD1      LEU  64  -0.113  -7.051  -7.488
  474   HD21  LEU  64          3HD2      LEU  64   1.360  -4.854  -7.826
  475   HD22  LEU  64          1HD2      LEU  64   0.655  -4.427  -6.267
  476   HD23  LEU  64          2HD2      LEU  64   0.500  -3.327  -7.636
  477    H    LYS  65           H        LYS  65  -2.439  -4.976 -12.275
  478    HA   LYS  65           HA       LYS  65  -1.533  -2.474 -13.086
  479    HB2  LYS  65           2HB      LYS  65  -3.313  -4.521 -14.361
  480    HB3  LYS  65           1HB      LYS  65  -3.042  -2.978 -15.159
  481    HG2  LYS  65           2HG      LYS  65  -1.030  -5.113 -14.493
  482    HG3  LYS  65           1HG      LYS  65  -1.499  -4.509 -16.084
  483    HD2  LYS  65           2HD      LYS  65  -0.629  -2.234 -15.221
  484    HD3  LYS  65           1HD      LYS  65   0.185  -3.197 -13.984
  485    HE2  LYS  65           2HE      LYS  65   1.632  -2.720 -15.904
  486    HE3  LYS  65           1HE      LYS  65   1.364  -4.448 -15.677
  487    HZ1  LYS  65           3HZ      LYS  65  -0.257  -4.406 -17.450
  488    HZ2  LYS  65           1HZ      LYS  65   1.210  -3.779 -18.008
  489    HZ3  LYS  65           2HZ      LYS  65  -0.067  -2.737 -17.638
  490    H    LEU  66           H        LEU  66  -4.848  -3.621 -12.659
  491    HA   LEU  66           HA       LEU  66  -5.743  -0.840 -12.821
  492    HB2  LEU  66           2HB      LEU  66  -7.375  -3.349 -13.131
  493    HB3  LEU  66           1HB      LEU  66  -7.892  -1.702 -13.471
  494    HG   LEU  66           HG       LEU  66  -5.746  -3.239 -14.934
  495   HD11  LEU  66          1HD1      LEU  66  -8.011  -3.923 -15.501
  496   HD12  LEU  66          2HD1      LEU  66  -7.218  -3.091 -16.838
  497   HD13  LEU  66          3HD1      LEU  66  -8.426  -2.247 -15.866
  498   HD21  LEU  66          3HD2      LEU  66  -6.726  -0.429 -15.408
  499   HD22  LEU  66          1HD2      LEU  66  -5.532  -1.298 -16.370
  500   HD23  LEU  66          2HD2      LEU  66  -5.168  -0.861 -14.695
  501    H    PHE  67           H        PHE  67  -4.863  -2.833 -10.469
  502    HA   PHE  67           HA       PHE  67  -7.030  -2.821  -8.662
  503    HB2  PHE  67           2HB      PHE  67  -5.606  -3.785  -7.198
  504    HB3  PHE  67           1HB      PHE  67  -4.549  -3.907  -8.588
  505    HD1  PHE  67           2HD      PHE  67  -2.592  -2.435  -8.782
  506    HD2  PHE  67           1HD      PHE  67  -5.149  -2.290  -5.400
  507    HE1  PHE  67           2HE      PHE  67  -0.864  -1.208  -7.540
  508    HE2  PHE  67           1HE      PHE  67  -3.425  -1.062  -4.140
  509    HZ   PHE  67           HZ       PHE  67  -1.277  -0.519  -5.213
  510    H    LEU  68           H        LEU  68  -4.785  -0.404  -9.692
  511    HA   LEU  68           HA       LEU  68  -5.086   1.515  -7.678
  512    HB2  LEU  68           2HB      LEU  68  -4.744   1.970 -10.646
  513    HB3  LEU  68           1HB      LEU  68  -4.515   3.182  -9.410
  514    HG   LEU  68           HG       LEU  68  -2.365   2.542 -10.040
  515   HD11  LEU  68          1HD1      LEU  68  -2.615   2.659  -7.634
  516   HD12  LEU  68          2HD1      LEU  68  -1.408   1.454  -8.085
  517   HD13  LEU  68          3HD1      LEU  68  -3.017   0.942  -7.578
  518   HD21  LEU  68          3HD2      LEU  68  -3.080  -0.360  -9.723
  519   HD22  LEU  68          1HD2      LEU  68  -1.589   0.319 -10.369
  520   HD23  LEU  68          2HD2      LEU  68  -3.102   0.492 -11.269
  521    H    GLN  69           H        GLN  69  -6.943   0.936 -10.629
  522    HA   GLN  69           HA       GLN  69  -8.816   3.036 -10.146
  523    HB2  GLN  69           2HB      GLN  69  -9.094   0.599 -11.919
  524    HB3  GLN  69           1HB      GLN  69 -10.109   2.034 -11.971
  525    HG2  GLN  69           2HG      GLN  69  -8.033   3.345 -12.515
  526    HG3  GLN  69           1HG      GLN  69  -7.210   1.796 -12.714
  527   HE21  GLN  69          1HE2      GLN  69  -7.823   0.440 -14.417
  528   HE22  GLN  69          2HE2      GLN  69  -8.685   1.034 -15.790
  529    H    ASN  70           H        ASN  70  -8.329  -0.025  -8.862
  530    HA   ASN  70           HA       ASN  70 -11.071  -0.485  -8.035
  531    HB2  ASN  70           2HB      ASN  70  -9.503  -2.361  -8.465
  532    HB3  ASN  70           1HB      ASN  70  -8.494  -1.803  -7.139
  533   HD21  ASN  70          1HD2      ASN  70  -8.661  -3.620  -5.944
  534   HD22  ASN  70          2HD2      ASN  70 -10.126  -4.132  -5.177
  535    H    PHE  71           H        PHE  71  -8.133   0.912  -6.812
  536    HA   PHE  71           HA       PHE  71  -9.085   1.191  -4.111
  537    HB2  PHE  71           2HB      PHE  71  -6.654   0.833  -4.887
  538    HB3  PHE  71           1HB      PHE  71  -6.665   2.534  -5.324
  539    HD1  PHE  71           1HD      PHE  71  -8.483   1.455  -2.318
  540    HD2  PHE  71           2HD      PHE  71  -4.790   2.925  -3.851
  541    HE1  PHE  71           1HE      PHE  71  -7.764   2.013  -0.042
  542    HE2  PHE  71           2HE      PHE  71  -4.071   3.490  -1.570
  543    HZ   PHE  71           HZ       PHE  71  -5.557   3.033   0.338
  544    H    SER  72           H        SER  72  -8.455   3.327  -6.877
  545    HA   SER  72           HA       SER  72 -10.401   5.220  -5.856
  546    HB2  SER  72           2HB      SER  72  -8.276   5.936  -4.809
  547    HB3  SER  72           1HB      SER  72  -7.547   6.066  -6.409
  548    HG   SER  72           HG       SER  72  -9.786   7.540  -5.448
  549    H    ALA  73           H        ALA  73 -11.226   6.596  -7.426
  550    HA   ALA  73           HA       ALA  73 -11.013   5.611 -10.118
  551    HB1  ALA  73           1HB      ALA  73 -12.615   7.921  -9.026
  552    HB2  ALA  73           2HB      ALA  73 -13.176   6.256  -9.170
  553    HB3  ALA  73           3HB      ALA  73 -12.801   7.188 -10.618
  554    H    GLY  74           H        GLY  74  -9.298   7.863  -8.333
  555    HA2  GLY  74           2HA      GLY  74  -8.607   9.430 -10.733
  556    HA3  GLY  74           1HA      GLY  74  -8.351   9.957  -9.076
  557    H    ALA  75           H        ALA  75  -7.608   6.690  -9.686
  558    HA   ALA  75           HA       ALA  75  -4.783   7.314  -9.323
  559    HB1  ALA  75           1HB      ALA  75  -4.520   5.011  -8.646
  560    HB2  ALA  75           2HB      ALA  75  -6.182   4.653  -9.116
  561    HB3  ALA  75           3HB      ALA  75  -5.861   5.743  -7.766
  562    H    ARG  76           H        ARG  76  -3.164   6.164 -10.547
  563    HA   ARG  76           HA       ARG  76  -3.994   5.809 -13.327
  564    HB2  ARG  76           2HB      ARG  76  -1.248   6.447 -12.243
  565    HB3  ARG  76           1HB      ARG  76  -1.719   6.410 -13.937
  566    HG2  ARG  76           2HG      ARG  76  -2.645   8.375 -11.852
  567    HG3  ARG  76           1HG      ARG  76  -1.567   8.691 -13.213
  568    HD2  ARG  76           2HD      ARG  76  -4.484   7.935 -13.349
  569    HD3  ARG  76           1HD      ARG  76  -3.783   9.507 -13.725
  570    HE   ARG  76           HE       ARG  76  -2.497   7.894 -15.445
  571   HH11  ARG  76          1HH1      ARG  76  -5.890   8.252 -14.668
  572   HH12  ARG  76          2HH1      ARG  76  -6.435   7.791 -16.246
  573   HH21  ARG  76          1HH2      ARG  76  -3.212   7.287 -17.534
  574   HH22  ARG  76          2HH2      ARG  76  -4.913   7.229 -17.873
  575    H    ALA  77           H        ALA  77  -3.210   4.058 -14.533
  576    HA   ALA  77           HA       ALA  77  -2.607   1.679 -13.065
  577    HB1  ALA  77           1HB      ALA  77  -2.540   2.192 -16.039
  578    HB2  ALA  77           2HB      ALA  77  -3.911   1.569 -15.121
  579    HB3  ALA  77           3HB      ALA  77  -2.437   0.608 -15.268
  580    H    LEU  78           H        LEU  78  -0.697   1.020 -12.412
  581    HA   LEU  78           HA       LEU  78   1.697   2.417 -12.976
  582    HB2  LEU  78           2HB      LEU  78   0.955  -0.034 -11.459
  583    HB3  LEU  78           1HB      LEU  78   2.642   0.190 -11.875
  584    HG   LEU  78           HG       LEU  78   2.741   2.262 -10.637
  585   HD11  LEU  78          1HD1      LEU  78   0.517   3.138 -11.096
  586   HD12  LEU  78          2HD1      LEU  78   0.828   3.105  -9.360
  587   HD13  LEU  78          3HD1      LEU  78  -0.199   1.875 -10.093
  588   HD21  LEU  78          3HD2      LEU  78   1.348   0.119  -9.042
  589   HD22  LEU  78          1HD2      LEU  78   2.327   1.429  -8.382
  590   HD23  LEU  78          2HD2      LEU  78   3.074   0.192  -9.394
  591    H    SER  79           H        SER  79   3.637   1.509 -13.949
  592    HA   SER  79           HA       SER  79   2.811   0.319 -16.475
  593    HB2  SER  79           2HB      SER  79   5.008   1.270 -17.292
  594    HB3  SER  79           1HB      SER  79   3.817   2.448 -16.746
  595    HG   SER  79           HG       SER  79   4.932   2.546 -14.743
  596    H    ASP  80           H        ASP  80   5.141  -0.490 -17.562
  597    HA   ASP  80           HA       ASP  80   5.109  -3.173 -17.018
  598    HB2  ASP  80           2HB      ASP  80   5.961  -2.305 -19.095
  599    HB3  ASP  80           1HB      ASP  80   7.298  -1.525 -18.262
  600    H    ALA  81           H        ALA  81   8.026  -1.260 -16.279
  601    HA   ALA  81           HA       ALA  81   8.854  -3.451 -14.628
  602    HB1  ALA  81           1HB      ALA  81  10.911  -2.163 -14.257
  603    HB2  ALA  81           2HB      ALA  81  10.183  -0.775 -15.069
  604    HB3  ALA  81           3HB      ALA  81  10.507  -2.255 -15.971
  605    H    GLU  82           H        GLU  82   7.233  -0.503 -14.220
  606    HA   GLU  82           HA       GLU  82   7.771   0.064 -11.520
  607    HB2  GLU  82           2HB      GLU  82   6.884   1.718 -13.023
  608    HB3  GLU  82           1HB      GLU  82   5.486   0.719 -13.376
  609    HG2  GLU  82           2HG      GLU  82   4.662   1.025 -11.146
  610    HG3  GLU  82           1HG      GLU  82   6.096   1.959 -10.710
  611    H    THR  83           H        THR  83   4.855  -1.464 -12.999
  612    HA   THR  83           HA       THR  83   3.779  -2.355 -10.569
  613    HB   THR  83           HB       THR  83   3.571  -3.957 -13.118
  614    HG1  THR  83           1HG      THR  83   3.076  -1.862 -13.728
  615   HG21  THR  83          3HG2      THR  83   2.558  -4.922 -11.103
  616   HG22  THR  83          1HG2      THR  83   1.331  -4.459 -12.281
  617   HG23  THR  83          2HG2      THR  83   1.624  -3.445 -10.868
  618    H    LYS  84           H        LYS  84   6.174  -3.822 -12.700
  619    HA   LYS  84           HA       LYS  84   6.322  -6.366 -11.602
  620    HB2  LYS  84           2HB      LYS  84   7.415  -5.919 -13.669
  621    HB3  LYS  84           1HB      LYS  84   8.409  -4.661 -12.948
  622    HG2  LYS  84           2HG      LYS  84   9.608  -6.316 -11.648
  623    HG3  LYS  84           1HG      LYS  84   8.585  -7.596 -12.307
  624    HD2  LYS  84           2HD      LYS  84   9.414  -7.118 -14.550
  625    HD3  LYS  84           1HD      LYS  84  10.408  -5.807 -13.912
  626    HE2  LYS  84           2HE      LYS  84  11.768  -7.775 -14.258
  627    HE3  LYS  84           1HE      LYS  84  11.634  -7.437 -12.534
  628    HZ1  LYS  84           3HZ      LYS  84  10.101  -9.489 -14.035
  629    HZ2  LYS  84           1HZ      LYS  84   9.915  -9.148 -12.390
  630    HZ3  LYS  84           2HZ      LYS  84  11.372  -9.782 -12.963
  631    H    VAL  85           H        VAL  85   8.510  -3.627 -10.851
  632    HA   VAL  85           HA       VAL  85   9.718  -5.103  -8.712
  633    HB   VAL  85           HB       VAL  85  11.016  -3.485 -10.001
  634   HG11  VAL  85          1HG1      VAL  85  10.698  -1.074  -9.644
  635   HG12  VAL  85          2HG1      VAL  85   9.219  -1.424  -8.748
  636   HG13  VAL  85          3HG1      VAL  85   9.333  -1.836 -10.460
  637   HG21  VAL  85          3HG2      VAL  85  12.099  -2.313  -8.135
  638   HG22  VAL  85          1HG2      VAL  85  11.776  -4.007  -7.766
  639   HG23  VAL  85          2HG2      VAL  85  10.742  -2.744  -7.098
  640    H    PHE  86           H        PHE  86   7.127  -2.776  -8.965
  641    HA   PHE  86           HA       PHE  86   6.850  -2.169  -6.236
  642    HB2  PHE  86           2HB      PHE  86   5.740  -0.885  -7.992
  643    HB3  PHE  86           1HB      PHE  86   4.779  -2.278  -8.448
  644    HD1  PHE  86           2HD      PHE  86   5.270   0.368  -5.974
  645    HD2  PHE  86           1HD      PHE  86   2.869  -2.955  -7.107
  646    HE1  PHE  86           2HE      PHE  86   3.534   1.089  -4.388
  647    HE2  PHE  86           1HE      PHE  86   1.126  -2.239  -5.523
  648    HZ   PHE  86           HZ       PHE  86   1.460  -0.215  -4.160
  649    H    LEU  87           H        LEU  87   5.639  -4.846  -8.222
  650    HA   LEU  87           HA       LEU  87   4.189  -6.192  -6.212
  651    HB2  LEU  87           2HB      LEU  87   5.723  -7.284  -8.576
  652    HB3  LEU  87           1HB      LEU  87   4.669  -8.249  -7.564
  653    HG   LEU  87           HG       LEU  87   3.698  -5.864  -9.138
  654   HD11  LEU  87          1HD1      LEU  87   2.849  -7.485 -10.768
  655   HD12  LEU  87          2HD1      LEU  87   3.666  -8.784  -9.899
  656   HD13  LEU  87          3HD1      LEU  87   4.610  -7.515 -10.679
  657   HD21  LEU  87          3HD2      LEU  87   2.257  -8.192  -7.868
  658   HD22  LEU  87          1HD2      LEU  87   1.513  -6.902  -8.811
  659   HD23  LEU  87          2HD2      LEU  87   2.280  -6.534  -7.267
  660    H    LYS  88           H        LYS  88   7.575  -6.234  -7.148
  661    HA   LYS  88           HA       LYS  88   8.387  -8.389  -5.513
  662    HB2  LYS  88           2HB      LYS  88   9.608  -7.493  -7.496
  663    HB3  LYS  88           1HB      LYS  88  10.075  -6.100  -6.534
  664    HG2  LYS  88           2HG      LYS  88  11.901  -7.633  -6.606
  665    HG3  LYS  88           1HG      LYS  88  11.230  -7.654  -4.973
  666    HD2  LYS  88           2HD      LYS  88  10.082  -9.709  -5.400
  667    HD3  LYS  88           1HD      LYS  88  10.498  -9.641  -7.114
  668    HE2  LYS  88           2HE      LYS  88  12.486  -9.897  -4.857
  669    HE3  LYS  88           1HE      LYS  88  11.888 -11.241  -5.829
  670    HZ1  LYS  88           3HZ      LYS  88  12.823 -10.170  -7.795
  671    HZ2  LYS  88           1HZ      LYS  88  14.019 -10.477  -6.637
  672    HZ3  LYS  88           2HZ      LYS  88  13.422  -8.909  -6.843
  673    H    ALA  89           H        ALA  89   7.695  -5.099  -4.808
  674    HA   ALA  89           HA       ALA  89   9.219  -4.740  -2.467
  675    HB1  ALA  89           1HB      ALA  89   6.483  -3.628  -3.096
  676    HB2  ALA  89           2HB      ALA  89   8.017  -2.907  -3.579
  677    HB3  ALA  89           3HB      ALA  89   7.595  -3.022  -1.870
  678    H    GLY  90           H        GLY  90   6.474  -6.671  -3.177
  679    HA2  GLY  90           2HA      GLY  90   6.151  -7.281  -0.298
  680    HA3  GLY  90           1HA      GLY  90   4.803  -7.274  -1.429
  681    H    ASP  91           H        ASP  91   5.398  -8.678  -3.487
  682    HA   ASP  91           HA       ASP  91   5.684 -11.361  -2.540
  683    HB2  ASP  91           2HB      ASP  91   4.248 -10.773  -4.467
  684    HB3  ASP  91           1HB      ASP  91   5.698 -10.379  -5.391
  685    H    SER  92           H        SER  92   7.629 -12.040  -1.900
  686    HA   SER  92           HA       SER  92  10.026 -10.876  -3.060
  687    HB2  SER  92           2HB      SER  92   9.740 -11.114  -0.574
  688    HB3  SER  92           1HB      SER  92   9.768 -12.863  -0.786
  689    HG   SER  92           HG       SER  92  11.822 -11.118  -0.664
  690    H    ASP  93           H        ASP  93   8.036 -13.529  -3.443
  691    HA   ASP  93           HA       ASP  93  10.043 -15.485  -4.099
  692    HB2  ASP  93           2HB      ASP  93   7.162 -15.700  -4.919
  693    HB3  ASP  93           1HB      ASP  93   8.284 -16.983  -4.482
  694    H    GLY  94           H        GLY  94   8.252 -13.066  -5.797
  695    HA2  GLY  94           2HA      GLY  94   8.585 -12.268  -7.950
  696    HA3  GLY  94           1HA      GLY  94   9.744 -13.562  -8.220
  697    H    ASP  95           H        ASP  95   6.425 -13.897  -7.114
  698    HA   ASP  95           HA       ASP  95   5.899 -15.860  -9.178
  699    HB2  ASP  95           2HB      ASP  95   4.198 -14.759  -6.938
  700    HB3  ASP  95           1HB      ASP  95   3.642 -15.992  -8.059
  701    H    GLY  96           H        GLY  96   5.417 -12.516  -8.671
  702    HA2  GLY  96           2HA      GLY  96   4.710 -10.982 -10.314
  703    HA3  GLY  96           1HA      GLY  96   3.940 -12.303 -11.186
  704    H    LYS  97           H        LYS  97   3.493 -11.907  -7.789
  705    HA   LYS  97           HA       LYS  97   0.749 -10.880  -8.164
  706    HB2  LYS  97           2HB      LYS  97  -0.057 -12.572  -6.558
  707    HB3  LYS  97           1HB      LYS  97   0.607 -13.335  -7.998
  708    HG2  LYS  97           2HG      LYS  97   2.580 -13.949  -6.868
  709    HG3  LYS  97           1HG      LYS  97   2.197 -12.968  -5.449
  710    HD2  LYS  97           2HD      LYS  97   0.691 -15.407  -6.426
  711    HD3  LYS  97           1HD      LYS  97   1.811 -15.364  -5.068
  712    HE2  LYS  97           2HE      LYS  97   0.306 -13.634  -4.027
  713    HE3  LYS  97           1HE      LYS  97  -0.856 -13.989  -5.305
  714    HZ1  LYS  97           3HZ      LYS  97  -1.377 -15.267  -3.358
  715    HZ2  LYS  97           1HZ      LYS  97   0.189 -15.902  -3.291
  716    HZ3  LYS  97           2HZ      LYS  97  -0.841 -16.319  -4.567
  717    H    ILE  98           H        ILE  98  -0.201 -10.452  -5.902
  718    HA   ILE  98           HA       ILE  98   1.953  -9.830  -3.994
  719    HB   ILE  98           HB       ILE  98  -0.421  -8.168  -4.740
  720   HG12  ILE  98          2HG1      ILE  98   1.760  -7.663  -5.742
  721   HG13  ILE  98          1HG1      ILE  98   1.202  -6.352  -4.706
  722   HG21  ILE  98          1HG2      ILE  98  -0.166  -6.853  -2.703
  723   HG22  ILE  98          2HG2      ILE  98   1.028  -8.008  -2.111
  724   HG23  ILE  98          3HG2      ILE  98  -0.644  -8.514  -2.347
  725   HD11  ILE  98          3HD1      ILE  98   3.302  -8.406  -4.059
  726   HD12  ILE  98          1HD1      ILE  98   2.676  -7.221  -2.915
  727   HD13  ILE  98          2HD1      ILE  98   3.541  -6.686  -4.354
  728    H    GLY  99           H        GLY  99   1.799 -11.471  -2.568
  729    HA2  GLY  99           2HA      GLY  99  -0.666 -12.443  -1.537
  730    HA3  GLY  99           1HA      GLY  99   0.911 -12.576  -0.754
  731    H    VAL 100           H        VAL 100  -1.886 -11.682   0.142
  732    HA   VAL 100           HA       VAL 100  -1.834  -8.930   0.625
  733    HB   VAL 100           HB       VAL 100  -3.190 -11.137   2.149
  734   HG11  VAL 100          1HG1      VAL 100  -2.965  -9.111   3.526
  735   HG12  VAL 100          2HG1      VAL 100  -4.642  -9.440   3.093
  736   HG13  VAL 100          3HG1      VAL 100  -3.746  -8.175   2.249
  737   HG21  VAL 100          3HG2      VAL 100  -3.770 -10.946  -0.226
  738   HG22  VAL 100          1HG2      VAL 100  -4.208  -9.257   0.028
  739   HG23  VAL 100          2HG2      VAL 100  -5.127 -10.537   0.823
  740    H    ASP 101           H        ASP 101  -0.719 -11.629   2.628
  741    HA   ASP 101           HA       ASP 101   0.273 -10.138   4.786
  742    HB2  ASP 101           2HB      ASP 101   0.032 -12.626   4.718
  743    HB3  ASP 101           1HB      ASP 101   1.431 -12.696   3.653
  744    H    GLU 102           H        GLU 102   1.671 -10.963   1.669
  745    HA   GLU 102           HA       GLU 102   4.269  -9.931   2.136
  746    HB2  GLU 102           2HB      GLU 102   2.780 -10.297  -0.486
  747    HB3  GLU 102           1HB      GLU 102   4.511 -10.023  -0.321
  748    HG2  GLU 102           2HG      GLU 102   4.745 -12.138   0.877
  749    HG3  GLU 102           1HG      GLU 102   3.011 -12.411   0.739
  750    H    PHE 103           H        PHE 103   1.295  -8.560   0.832
  751    HA   PHE 103           HA       PHE 103   2.352  -6.041   0.074
  752    HB2  PHE 103           2HB      PHE 103   0.096  -7.125  -0.565
  753    HB3  PHE 103           1HB      PHE 103  -0.488  -6.503   0.971
  754    HD1  PHE 103           1HD      PHE 103   1.248  -5.362  -2.119
  755    HD2  PHE 103           2HD      PHE 103  -1.445  -4.410   1.028
  756    HE1  PHE 103           1HE      PHE 103   0.764  -3.207  -3.198
  757    HE2  PHE 103           2HE      PHE 103  -1.935  -2.248  -0.044
  758    HZ   PHE 103           HZ       PHE 103  -0.831  -1.646  -2.159
  759    H    GLY 104           H        GLY 104   0.662  -7.167   2.987
  760    HA2  GLY 104           2HA      GLY 104   0.601  -4.775   4.410
  761    HA3  GLY 104           1HA      GLY 104   0.656  -6.371   5.138
  762    H    ALA 105           H        ALA 105   3.230  -7.050   3.970
  763    HA   ALA 105           HA       ALA 105   4.948  -5.952   5.936
  764    HB1  ALA 105           1HB      ALA 105   6.721  -7.187   4.816
  765    HB2  ALA 105           2HB      ALA 105   5.667  -7.470   3.431
  766    HB3  ALA 105           3HB      ALA 105   5.279  -8.183   4.995
  767    H    MET 106           H        MET 106   4.448  -5.255   2.496
  768    HA   MET 106           HA       MET 106   6.662  -3.433   2.373
  769    HB2  MET 106           2HB      MET 106   6.264  -3.275   0.132
  770    HB3  MET 106           1HB      MET 106   5.394  -4.767   0.438
  771    HG2  MET 106           2HG      MET 106   3.310  -3.685   0.377
  772    HG3  MET 106           1HG      MET 106   4.048  -2.092   0.498
  773    HE1  MET 106           3HE      MET 106   4.792  -5.230  -1.919
  774    HE2  MET 106           1HE      MET 106   3.792  -4.706  -3.272
  775    HE3  MET 106           2HE      MET 106   3.051  -5.048  -1.709
  776    H    ILE 107           H        ILE 107   3.388  -3.209   3.372
  777    HA   ILE 107           HA       ILE 107   3.128  -0.363   3.000
  778    HB   ILE 107           HB       ILE 107   1.511  -2.232   4.757
  779   HG12  ILE 107          2HG1      ILE 107   0.846  -1.163   2.009
  780   HG13  ILE 107          1HG1      ILE 107   1.459  -2.785   2.323
  781   HG21  ILE 107          1HG2      ILE 107   1.300   0.071   5.464
  782   HG22  ILE 107          2HG2      ILE 107  -0.190  -0.461   4.686
  783   HG23  ILE 107          3HG2      ILE 107   0.940   0.572   3.813
  784   HD11  ILE 107          3HD1      ILE 107  -0.504  -3.321   3.606
  785   HD12  ILE 107          1HD1      ILE 107  -0.979  -2.709   2.024
  786   HD13  ILE 107          2HD1      ILE 107  -1.099  -1.670   3.444
  787    H    LYS 108           H        LYS 108   4.018  -2.591   5.508
  788    HA   LYS 108           HA       LYS 108   4.140  -0.587   7.579
  789    HB2  LYS 108           2HB      LYS 108   3.335  -2.781   8.126
  790    HB3  LYS 108           1HB      LYS 108   4.774  -3.536   7.469
  791    HG2  LYS 108           2HG      LYS 108   5.152  -1.640   9.709
  792    HG3  LYS 108           1HG      LYS 108   4.374  -3.179  10.075
  793    HD2  LYS 108           2HD      LYS 108   7.022  -2.879   8.661
  794    HD3  LYS 108           1HD      LYS 108   6.837  -3.220  10.382
  795    HE2  LYS 108           2HE      LYS 108   5.932  -4.958   8.085
  796    HE3  LYS 108           1HE      LYS 108   7.281  -5.270   9.171
  797    HZ1  LYS 108           3HZ      LYS 108   4.398  -5.239   9.874
  798    HZ2  LYS 108           1HZ      LYS 108   5.647  -5.357  11.011
  799    HZ3  LYS 108           2HZ      LYS 108   5.430  -6.575   9.861
  800    H    ALA 109           H        ALA 109   6.213  -1.826   5.191
  801    HA   ALA 109           HA       ALA 109   8.696  -1.471   6.555
  802    HB1  ALA 109           1HB      ALA 109   9.718  -1.800   4.375
  803    HB2  ALA 109           2HB      ALA 109   8.150  -1.618   3.592
  804    HB3  ALA 109           3HB      ALA 109   8.453  -2.997   4.647
  Start of MODEL   20
    1    H1   MET   1           1HT      MET   1 -14.631  11.159   7.697
    2    H2   MET   1           2HT      MET   1 -15.895  12.201   7.278
    3    H3   MET   1           3HT      MET   1 -14.532  12.803   8.078
    4    HA   MET   1           HA       MET   1 -14.492  13.374   5.738
    5    HB2  MET   1           2HB      MET   1 -12.438  12.311   7.256
    6    HB3  MET   1           1HB      MET   1 -12.351  11.369   5.777
    7    HG2  MET   1           2HG      MET   1 -12.362  14.375   5.857
    8    HG3  MET   1           1HG      MET   1 -10.900  13.394   5.832
    9    HE1  MET   1           2HE      MET   1 -10.048  12.034   3.786
   10    HE2  MET   1           3HE      MET   1 -10.983  11.760   2.315
   11    HE3  MET   1           1HE      MET   1 -11.513  11.055   3.842
   12    H    ALA   2           H        ALA   2 -13.990  12.475   3.539
   13    HA   ALA   2           HA       ALA   2 -16.019  10.762   2.713
   14    HB1  ALA   2           1HB      ALA   2 -13.458  11.398   1.255
   15    HB2  ALA   2           2HB      ALA   2 -14.915  12.391   1.249
   16    HB3  ALA   2           3HB      ALA   2 -14.944  10.779   0.535
   17    H    PHE   3           H        PHE   3 -16.139   8.651   2.143
   18    HA   PHE   3           HA       PHE   3 -15.799   6.418   2.319
   19    HB2  PHE   3           2HB      PHE   3 -13.806   7.353   0.749
   20    HB3  PHE   3           1HB      PHE   3 -12.853   6.627   2.041
   21    HD1  PHE   3           2HD      PHE   3 -13.402   4.183   2.657
   22    HD2  PHE   3           1HD      PHE   3 -14.645   6.043  -0.962
   23    HE1  PHE   3           2HE      PHE   3 -13.731   1.970   1.637
   24    HE2  PHE   3           1HE      PHE   3 -14.981   3.833  -1.987
   25    HZ   PHE   3           HZ       PHE   3 -14.522   1.792  -0.688
   26    H    ALA   4           H        ALA   4 -16.005   7.672   4.695
   27    HA   ALA   4           HA       ALA   4 -15.771   7.362   6.923
   28    HB1  ALA   4           1HB      ALA   4 -14.326   4.851   6.092
   29    HB2  ALA   4           2HB      ALA   4 -16.053   5.011   6.406
   30    HB3  ALA   4           3HB      ALA   4 -14.897   5.213   7.721
   31    H    GLY   5           H        GLY   5 -13.405   8.391   5.077
   32    HA2  GLY   5           2HA      GLY   5 -11.427   9.480   5.503
   33    HA3  GLY   5           1HA      GLY   5 -11.756   9.269   7.219
   34    H    ILE   6           H        ILE   6 -11.836   6.370   5.479
   35    HA   ILE   6           HA       ILE   6  -9.626   5.226   6.794
   36    HB   ILE   6           HB       ILE   6 -11.108   4.379   4.298
   37   HG12  ILE   6          2HG1      ILE   6 -12.428   4.389   6.371
   38   HG13  ILE   6          1HG1      ILE   6 -12.185   2.754   5.769
   39   HG21  ILE   6          1HG2      ILE   6  -9.101   2.775   5.879
   40   HG22  ILE   6          2HG2      ILE   6  -8.859   3.428   4.257
   41   HG23  ILE   6          3HG2      ILE   6 -10.079   2.184   4.534
   42   HD11  ILE   6          3HD1      ILE   6 -11.955   2.810   8.167
   43   HD12  ILE   6          1HD1      ILE   6 -10.716   4.061   8.048
   44   HD13  ILE   6          2HD1      ILE   6 -10.396   2.442   7.425
   45    H    LEU   7           H        LEU   7 -10.041   6.481   3.526
   46    HA   LEU   7           HA       LEU   7  -7.150   6.900   3.393
   47    HB2  LEU   7           2HB      LEU   7  -7.138   6.323   1.018
   48    HB3  LEU   7           1HB      LEU   7  -7.610   4.956   2.007
   49    HG   LEU   7           HG       LEU   7  -9.680   6.671   0.652
   50   HD11  LEU   7          1HD1      LEU   7  -8.257   4.282  -0.517
   51   HD12  LEU   7          2HD1      LEU   7  -8.133   5.947  -1.086
   52   HD13  LEU   7          3HD1      LEU   7  -9.666   5.085  -1.209
   53   HD21  LEU   7          3HD2      LEU   7 -10.446   5.118   2.378
   54   HD22  LEU   7          1HD2      LEU   7  -9.650   3.787   1.539
   55   HD23  LEU   7          2HD2      LEU   7 -11.005   4.622   0.782
   56    H    ASN   8           H        ASN   8  -6.669   8.950   2.995
   57    HA   ASN   8           HA       ASN   8  -8.691  10.836   2.247
   58    HB2  ASN   8           2HB      ASN   8  -5.738  11.015   2.753
   59    HB3  ASN   8           1HB      ASN   8  -6.609  12.373   2.045
   60   HD21  ASN   8          1HD2      ASN   8  -6.438  10.247   4.813
   61   HD22  ASN   8          2HD2      ASN   8  -7.149  11.344   5.943
   62    H    ASP   9           H        ASP   9  -9.453  10.775   0.249
   63    HA   ASP   9           HA       ASP   9  -8.296   9.456  -1.897
   64    HB2  ASP   9           2HB      ASP   9  -9.990  10.556  -3.284
   65    HB3  ASP   9           1HB      ASP   9 -10.683   9.946  -1.788
   66    H    ALA  10           H        ALA  10  -8.118  12.828  -0.998
   67    HA   ALA  10           HA       ALA  10  -6.841  13.844  -3.271
   68    HB1  ALA  10           1HB      ALA  10  -6.083  15.650  -1.773
   69    HB2  ALA  10           2HB      ALA  10  -6.613  14.697  -0.385
   70    HB3  ALA  10           3HB      ALA  10  -7.792  15.273  -1.564
   71    H    ASP  11           H        ASP  11  -5.485  12.345  -0.350
   72    HA   ASP  11           HA       ASP  11  -2.773  12.795  -1.088
   73    HB2  ASP  11           2HB      ASP  11  -4.051  10.975   0.945
   74    HB3  ASP  11           1HB      ASP  11  -2.308  11.045   0.700
   75    H    ILE  12           H        ILE  12  -4.957  10.067  -1.327
   76    HA   ILE  12           HA       ILE  12  -3.225   8.215  -2.493
   77    HB   ILE  12           HB       ILE  12  -6.178   8.645  -2.571
   78   HG12  ILE  12          2HG1      ILE  12  -6.163   6.342  -1.586
   79   HG13  ILE  12          1HG1      ILE  12  -4.407   6.386  -1.623
   80   HG21  ILE  12          1HG2      ILE  12  -4.737   6.566  -4.213
   81   HG22  ILE  12          2HG2      ILE  12  -5.708   7.904  -4.826
   82   HG23  ILE  12          3HG2      ILE  12  -6.475   6.602  -3.918
   83   HD11  ILE  12          3HD1      ILE  12  -4.454   8.318  -0.108
   84   HD12  ILE  12          1HD1      ILE  12  -5.205   6.881   0.587
   85   HD13  ILE  12          2HD1      ILE  12  -6.212   8.190  -0.035
   86    H    THR  13           H        THR  13  -5.368  10.589  -4.018
   87    HA   THR  13           HA       THR  13  -4.654  10.129  -6.683
   88    HB   THR  13           HB       THR  13  -5.564  12.702  -5.371
   89    HG1  THR  13           1HG      THR  13  -7.216  11.362  -5.047
   90   HG21  THR  13          3HG2      THR  13  -5.723  11.860  -8.268
   91   HG22  THR  13          1HG2      THR  13  -4.637  13.085  -7.612
   92   HG23  THR  13          2HG2      THR  13  -6.381  13.343  -7.573
   93    H    ALA  14           H        ALA  14  -3.188  12.191  -4.212
   94    HA   ALA  14           HA       ALA  14  -1.387  13.560  -5.892
   95    HB1  ALA  14           1HB      ALA  14  -1.116  12.898  -2.963
   96    HB2  ALA  14           2HB      ALA  14  -1.915  14.318  -3.637
   97    HB3  ALA  14           3HB      ALA  14  -0.177  14.105  -3.841
   98    H    ALA  15           H        ALA  15  -1.049  10.568  -4.012
   99    HA   ALA  15           HA       ALA  15   1.655  10.093  -4.714
  100    HB1  ALA  15           1HB      ALA  15   1.317   7.857  -3.862
  101    HB2  ALA  15           2HB      ALA  15  -0.434   8.068  -3.919
  102    HB3  ALA  15           3HB      ALA  15   0.533   9.021  -2.793
  103    H    LEU  16           H        LEU  16  -1.424   9.126  -6.125
  104    HA   LEU  16           HA       LEU  16  -0.346   7.435  -8.122
  105    HB2  LEU  16           2HB      LEU  16  -2.969   8.924  -7.990
  106    HB3  LEU  16           1HB      LEU  16  -2.580   7.718  -9.197
  107    HG   LEU  16           HG       LEU  16  -2.606   7.152  -6.239
  108   HD11  LEU  16          1HD1      LEU  16  -4.765   6.076  -6.635
  109   HD12  LEU  16          2HD1      LEU  16  -4.750   6.672  -8.292
  110   HD13  LEU  16          3HD1      LEU  16  -4.829   7.810  -6.950
  111   HD21  LEU  16          3HD2      LEU  16  -1.240   5.627  -7.561
  112   HD22  LEU  16          1HD2      LEU  16  -2.596   5.345  -8.653
  113   HD23  LEU  16          2HD2      LEU  16  -2.692   4.821  -6.972
  114    H    ALA  17           H        ALA  17  -0.926  10.877  -7.944
  115    HA   ALA  17           HA       ALA  17  -0.418  11.451 -10.680
  116    HB1  ALA  17           1HB      ALA  17  -1.554  13.041  -9.223
  117    HB2  ALA  17           2HB      ALA  17  -0.099  13.762  -9.914
  118    HB3  ALA  17           3HB      ALA  17  -0.098  13.203  -8.241
  119    H    ALA  18           H        ALA  18   1.582  10.871  -7.894
  120    HA   ALA  18           HA       ALA  18   3.985  11.911  -9.077
  121    HB1  ALA  18           1HB      ALA  18   3.630  10.143  -6.658
  122    HB2  ALA  18           2HB      ALA  18   3.682  11.905  -6.649
  123    HB3  ALA  18           3HB      ALA  18   5.109  10.984  -7.121
  124    H    CYS  19           H        CYS  19   2.560   8.707  -8.540
  125    HA   CYS  19           HA       CYS  19   4.800   7.373  -9.775
  126    HB2  CYS  19           2HB      CYS  19   3.480   5.315  -9.467
  127    HB3  CYS  19           1HB      CYS  19   3.604   6.247  -7.981
  128    HG   CYS  19           HG       CYS  19   0.901   5.429  -9.779
  129    H    LYS  20           H        LYS  20   2.432   9.193 -11.056
  130    HA   LYS  20           HA       LYS  20   1.946   7.657 -13.435
  131    HB2  LYS  20           2HB      LYS  20   0.296   9.294 -12.728
  132    HB3  LYS  20           1HB      LYS  20   1.496  10.576 -12.769
  133    HG2  LYS  20           2HG      LYS  20   0.038  10.711 -14.688
  134    HG3  LYS  20           1HG      LYS  20   1.683  10.321 -15.188
  135    HD2  LYS  20           2HD      LYS  20   1.016   7.925 -15.303
  136    HD3  LYS  20           1HD      LYS  20  -0.643   8.413 -14.954
  137    HE2  LYS  20           2HE      LYS  20  -0.672   9.778 -16.980
  138    HE3  LYS  20           1HE      LYS  20   0.993   9.315 -17.322
  139    HZ1  LYS  20           3HZ      LYS  20  -1.380   7.530 -17.280
  140    HZ2  LYS  20           1HZ      LYS  20   0.214   6.981 -17.434
  141    HZ3  LYS  20           2HZ      LYS  20  -0.457   7.970 -18.628
  142    H    ALA  21           H        ALA  21   4.424   9.592 -12.171
  143    HA   ALA  21           HA       ALA  21   5.533  10.385 -14.726
  144    HB1  ALA  21           1HB      ALA  21   5.714  11.914 -12.854
  145    HB2  ALA  21           2HB      ALA  21   7.317  11.399 -13.381
  146    HB3  ALA  21           3HB      ALA  21   6.599  10.704 -11.929
  147    H    GLU  22           H        GLU  22   6.471   8.874 -15.897
  148    HA   GLU  22           HA       GLU  22   7.629   6.508 -14.850
  149    HB2  GLU  22           2HB      GLU  22   6.644   6.908 -17.184
  150    HB3  GLU  22           1HB      GLU  22   8.161   7.697 -17.574
  151    HG2  GLU  22           2HG      GLU  22   8.101   4.898 -16.515
  152    HG3  GLU  22           1HG      GLU  22   7.839   5.237 -18.223
  153    H    GLY  23           H        GLY  23   9.450   6.439 -13.747
  154    HA2  GLY  23           2HA      GLY  23  11.848   6.707 -13.691
  155    HA3  GLY  23           1HA      GLY  23  11.644   8.254 -14.505
  156    H    SER  24           H        SER  24   9.219   8.013 -12.298
  157    HA   SER  24           HA       SER  24  10.798   8.952 -10.025
  158    HB2  SER  24           2HB      SER  24   8.493  10.485 -11.251
  159    HB3  SER  24           1HB      SER  24   9.267  10.882  -9.715
  160    HG   SER  24           HG       SER  24  11.147  10.599 -11.601
  161    H    PHE  25           H        PHE  25   9.887   6.542  -9.912
  162    HA   PHE  25           HA       PHE  25   7.205   6.521  -8.738
  163    HB2  PHE  25           2HB      PHE  25   9.081   4.211  -9.284
  164    HB3  PHE  25           1HB      PHE  25   7.394   4.091  -8.789
  165    HD1  PHE  25           1HD      PHE  25   5.697   5.296 -10.414
  166    HD2  PHE  25           2HD      PHE  25   9.605   4.012 -11.503
  167    HE1  PHE  25           1HE      PHE  25   5.018   5.242 -12.777
  168    HE2  PHE  25           2HE      PHE  25   8.932   3.961 -13.869
  169    HZ   PHE  25           HZ       PHE  25   6.637   4.576 -14.507
  170    H    ASP  26           H        ASP  26   6.906   6.482  -6.584
  171    HA   ASP  26           HA       ASP  26   9.016   5.308  -4.931
  172    HB2  ASP  26           2HB      ASP  26   9.062   7.892  -4.919
  173    HB3  ASP  26           1HB      ASP  26   7.580   7.769  -3.973
  174    H    HIS  27           H        HIS  27   7.844   3.505  -4.658
  175    HA   HIS  27           HA       HIS  27   5.086   3.445  -4.059
  176    HB2  HIS  27           2HB      HIS  27   6.657   1.658  -5.085
  177    HB3  HIS  27           1HB      HIS  27   6.997   1.227  -3.419
  178    HD1  HIS  27           1HD      HIS  27   4.575   0.754  -6.137
  179    HD2  HIS  27           2HD      HIS  27   4.730   0.161  -2.018
  180    HE1  HIS  27           1HE      HIS  27   2.673  -0.804  -5.596
  181    HE2  HIS  27           2HE      HIS  27   2.988  -1.365  -3.161
  182    H    LYS  28           H        LYS  28   7.917   3.694  -2.075
  183    HA   LYS  28           HA       LYS  28   6.718   2.972   0.399
  184    HB2  LYS  28           2HB      LYS  28   9.189   3.140  -0.048
  185    HB3  LYS  28           1HB      LYS  28   8.987   4.888  -0.064
  186    HG2  LYS  28           2HG      LYS  28   8.267   4.865   2.244
  187    HG3  LYS  28           1HG      LYS  28   8.358   3.105   2.279
  188    HD2  LYS  28           2HD      LYS  28  10.321   3.980   3.334
  189    HD3  LYS  28           1HD      LYS  28  10.795   3.289   1.782
  190    HE2  LYS  28           2HE      LYS  28  10.831   5.512   0.790
  191    HE3  LYS  28           1HE      LYS  28  10.301   6.217   2.315
  192    HZ1  LYS  28           3HZ      LYS  28  12.845   4.743   1.913
  193    HZ2  LYS  28           1HZ      LYS  28  12.342   5.491   3.342
  194    HZ3  LYS  28           2HZ      LYS  28  12.694   6.426   1.977
  195    H    ALA  29           H        ALA  29   7.350   6.075  -1.213
  196    HA   ALA  29           HA       ALA  29   6.135   7.767   0.653
  197    HB1  ALA  29           1HB      ALA  29   5.986   9.396  -1.135
  198    HB2  ALA  29           2HB      ALA  29   6.244   8.132  -2.337
  199    HB3  ALA  29           3HB      ALA  29   7.534   8.554  -1.213
  200    H    PHE  30           H        PHE  30   4.803   5.755  -1.853
  201    HA   PHE  30           HA       PHE  30   2.217   6.761  -2.005
  202    HB2  PHE  30           2HB      PHE  30   3.117   5.020  -3.509
  203    HB3  PHE  30           1HB      PHE  30   3.110   3.869  -2.179
  204    HD1  PHE  30           1HD      PHE  30   0.992   5.827  -4.463
  205    HD2  PHE  30           2HD      PHE  30   1.112   2.759  -1.516
  206    HE1  PHE  30           1HE      PHE  30  -1.305   5.174  -5.054
  207    HE2  PHE  30           2HE      PHE  30  -1.186   2.103  -2.100
  208    HZ   PHE  30           HZ       PHE  30  -2.397   3.311  -3.871
  209    H    PHE  31           H        PHE  31   3.428   4.115   0.099
  210    HA   PHE  31           HA       PHE  31   0.963   3.789   1.448
  211    HB2  PHE  31           2HB      PHE  31   3.746   2.976   2.259
  212    HB3  PHE  31           1HB      PHE  31   2.290   2.518   3.139
  213    HD1  PHE  31           2HD      PHE  31   0.382   1.819   1.150
  214    HD2  PHE  31           1HD      PHE  31   4.581   1.145   1.163
  215    HE1  PHE  31           2HE      PHE  31   0.071  -0.101  -0.351
  216    HE2  PHE  31           1HE      PHE  31   4.278  -0.777  -0.336
  217    HZ   PHE  31           HZ       PHE  31   2.023  -1.405  -1.094
  218    H    THR  32           H        THR  32   3.778   5.771   2.255
  219    HA   THR  32           HA       THR  32   2.724   6.457   4.825
  220    HB   THR  32           HB       THR  32   5.098   6.504   4.600
  221    HG1  THR  32           1HG      THR  32   4.209   8.115   5.972
  222   HG21  THR  32          3HG2      THR  32   4.692   8.550   2.425
  223   HG22  THR  32          1HG2      THR  32   5.357   6.924   2.246
  224   HG23  THR  32          2HG2      THR  32   6.251   8.149   3.147
  225    H    LYS  33           H        LYS  33   2.267   7.656   1.637
  226    HA   LYS  33           HA       LYS  33   1.243  10.210   2.544
  227    HB2  LYS  33           2HB      LYS  33   2.485  10.031   0.438
  228    HB3  LYS  33           1HB      LYS  33   1.248   8.965  -0.207
  229    HG2  LYS  33           2HG      LYS  33  -0.359  10.706  -0.252
  230    HG3  LYS  33           1HG      LYS  33   0.679  11.776   0.690
  231    HD2  LYS  33           2HD      LYS  33   1.381  10.729  -2.049
  232    HD3  LYS  33           1HD      LYS  33   0.608  12.289  -1.758
  233    HE2  LYS  33           2HE      LYS  33   2.522  12.958  -0.370
  234    HE3  LYS  33           1HE      LYS  33   3.295  11.410  -0.705
  235    HZ1  LYS  33           3HZ      LYS  33   4.124  13.208  -2.113
  236    HZ2  LYS  33           1HZ      LYS  33   2.577  13.425  -2.762
  237    HZ3  LYS  33           2HZ      LYS  33   3.410  11.977  -3.022
  238    H    VAL  34           H        VAL  34  -0.072   7.214   1.113
  239    HA   VAL  34           HA       VAL  34  -2.746   8.093   1.106
  240    HB   VAL  34           HB       VAL  34  -3.317   5.796   0.687
  241   HG11  VAL  34          1HG1      VAL  34  -0.787   6.518  -0.750
  242   HG12  VAL  34          2HG1      VAL  34  -2.404   7.089  -1.159
  243   HG13  VAL  34          3HG1      VAL  34  -2.009   5.378  -1.313
  244   HG21  VAL  34          3HG2      VAL  34  -0.474   5.126   1.364
  245   HG22  VAL  34          1HG2      VAL  34  -1.661   3.998   0.707
  246   HG23  VAL  34          2HG2      VAL  34  -1.897   4.694   2.310
  247    H    GLY  35           H        GLY  35  -0.677   6.980   3.590
  248    HA2  GLY  35           2HA      GLY  35  -1.136   7.154   5.873
  249    HA3  GLY  35           1HA      GLY  35  -2.847   7.267   5.500
  250    H    LEU  36           H        LEU  36  -0.959   4.717   4.091
  251    HA   LEU  36           HA       LEU  36  -2.598   2.821   5.606
  252    HB2  LEU  36           2HB      LEU  36  -2.454   2.851   3.049
  253    HB3  LEU  36           1HB      LEU  36  -0.850   2.170   3.249
  254    HG   LEU  36           HG       LEU  36  -1.903   0.277   4.520
  255   HD11  LEU  36          1HD1      LEU  36  -4.295  -0.081   4.275
  256   HD12  LEU  36          2HD1      LEU  36  -4.456   1.464   3.442
  257   HD13  LEU  36          3HD1      LEU  36  -3.976   1.422   5.137
  258   HD21  LEU  36          3HD2      LEU  36  -1.254   0.108   2.152
  259   HD22  LEU  36          1HD2      LEU  36  -2.872   0.636   1.689
  260   HD23  LEU  36          2HD2      LEU  36  -2.652  -0.890   2.551
  261    H    ALA  37           H        ALA  37   0.186   4.191   6.249
  262    HA   ALA  37           HA       ALA  37   1.485   1.712   7.126
  263    HB1  ALA  37           1HB      ALA  37   3.327   3.126   7.825
  264    HB2  ALA  37           2HB      ALA  37   2.378   4.578   7.518
  265    HB3  ALA  37           3HB      ALA  37   2.863   3.544   6.173
  266    H    ALA  38           H        ALA  38  -0.574   4.247   8.224
  267    HA   ALA  38           HA       ALA  38  -0.353   3.307  11.008
  268    HB1  ALA  38           1HB      ALA  38  -1.356   5.428  11.663
  269    HB2  ALA  38           2HB      ALA  38  -1.505   5.895   9.969
  270    HB3  ALA  38           3HB      ALA  38   0.092   5.695  10.692
  271    H    LYS  39           H        LYS  39  -1.844   2.045   8.806
  272    HA   LYS  39           HA       LYS  39  -4.624   2.464   9.196
  273    HB2  LYS  39           2HB      LYS  39  -4.624   0.065   8.072
  274    HB3  LYS  39           1HB      LYS  39  -4.276   1.523   7.158
  275    HG2  LYS  39           2HG      LYS  39  -2.750  -0.322   6.645
  276    HG3  LYS  39           1HG      LYS  39  -1.923   1.102   7.264
  277    HD2  LYS  39           2HD      LYS  39  -2.036  -0.071   9.547
  278    HD3  LYS  39           1HD      LYS  39  -2.420  -1.528   8.622
  279    HE2  LYS  39           2HE      LYS  39  -0.367  -1.394   7.417
  280    HE3  LYS  39           1HE      LYS  39  -0.027   0.210   8.069
  281    HZ1  LYS  39           3HZ      LYS  39  -0.011  -2.382   9.529
  282    HZ2  LYS  39           1HZ      LYS  39   0.077  -0.883  10.305
  283    HZ3  LYS  39           2HZ      LYS  39   1.301  -1.356   9.244
  284    H    SER  40           H        SER  40  -6.045   0.547   9.698
  285    HA   SER  40           HA       SER  40  -5.132  -0.793  12.152
  286    HB2  SER  40           2HB      SER  40  -7.985  -0.360  11.230
  287    HB3  SER  40           1HB      SER  40  -7.437  -0.840  12.838
  288    HG   SER  40           HG       SER  40  -6.988   1.658  11.553
  289    HA   PRO  41           HA       PRO  41  -5.273  -4.908  10.536
  290    HB2  PRO  41           2HB      PRO  41  -7.743  -5.365  12.166
  291    HB3  PRO  41           1HB      PRO  41  -6.307  -6.383  11.997
  292    HG2  PRO  41           2HG      PRO  41  -6.622  -4.868  14.151
  293    HG3  PRO  41           1HG      PRO  41  -5.028  -5.033  13.392
  294    HD2  PRO  41           2HD      PRO  41  -6.912  -2.734  13.356
  295    HD3  PRO  41           1HD      PRO  41  -5.140  -2.744  13.287
  296    H    ALA  42           H        ALA  42  -8.643  -3.734  10.873
  297    HA   ALA  42           HA       ALA  42  -9.614  -5.312   8.715
  298    HB1  ALA  42           1HB      ALA  42 -10.867  -2.907  10.028
  299    HB2  ALA  42           2HB      ALA  42 -11.058  -4.582  10.541
  300    HB3  ALA  42           3HB      ALA  42 -11.689  -4.061   8.979
  301    H    ASP  43           H        ASP  43  -8.066  -2.257   8.854
  302    HA   ASP  43           HA       ASP  43  -9.151  -1.069   6.515
  303    HB2  ASP  43           2HB      ASP  43  -7.882   0.088   8.382
  304    HB3  ASP  43           1HB      ASP  43  -6.413  -0.605   7.713
  305    H    ILE  44           H        ILE  44  -6.148  -2.828   7.182
  306    HA   ILE  44           HA       ILE  44  -5.355  -2.965   4.482
  307    HB   ILE  44           HB       ILE  44  -4.390  -4.094   7.022
  308   HG12  ILE  44          2HG1      ILE  44  -3.090  -2.878   4.571
  309   HG13  ILE  44          1HG1      ILE  44  -3.522  -2.034   6.050
  310   HG21  ILE  44          1HG2      ILE  44  -4.518  -6.169   5.745
  311   HG22  ILE  44          2HG2      ILE  44  -2.838  -5.672   5.951
  312   HG23  ILE  44          3HG2      ILE  44  -3.651  -5.413   4.407
  313   HD11  ILE  44          3HD1      ILE  44  -1.852  -3.312   7.269
  314   HD12  ILE  44          1HD1      ILE  44  -1.139  -2.458   5.896
  315   HD13  ILE  44          2HD1      ILE  44  -1.448  -4.196   5.797
  316    H    LYS  45           H        LYS  45  -7.687  -4.753   6.260
  317    HA   LYS  45           HA       LYS  45  -7.715  -7.057   4.581
  318    HB2  LYS  45           2HB      LYS  45  -9.888  -5.914   6.341
  319    HB3  LYS  45           1HB      LYS  45  -9.943  -7.494   5.568
  320    HG2  LYS  45           2HG      LYS  45  -7.855  -6.623   7.555
  321    HG3  LYS  45           1HG      LYS  45  -9.274  -7.599   7.936
  322    HD2  LYS  45           2HD      LYS  45  -8.484  -9.434   6.730
  323    HD3  LYS  45           1HD      LYS  45  -7.340  -8.458   5.810
  324    HE2  LYS  45           2HE      LYS  45  -6.239  -9.869   7.505
  325    HE3  LYS  45           1HE      LYS  45  -5.960  -8.149   7.761
  326    HZ1  LYS  45           3HZ      LYS  45  -6.455  -9.273   9.830
  327    HZ2  LYS  45           1HZ      LYS  45  -7.933  -9.822   9.221
  328    HZ3  LYS  45           2HZ      LYS  45  -7.680  -8.170   9.463
  329    H    LYS  46           H        LYS  46  -9.471  -3.940   4.455
  330    HA   LYS  46           HA       LYS  46 -10.822  -4.745   2.060
  331    HB2  LYS  46           2HB      LYS  46 -11.416  -2.373   1.755
  332    HB3  LYS  46           1HB      LYS  46 -11.820  -2.966   3.350
  333    HG2  LYS  46           2HG      LYS  46 -10.997  -0.840   3.740
  334    HG3  LYS  46           1HG      LYS  46  -9.625  -1.882   4.106
  335    HD2  LYS  46           2HD      LYS  46  -8.946   0.085   2.814
  336    HD3  LYS  46           1HD      LYS  46  -8.660  -1.404   1.916
  337    HE2  LYS  46           2HE      LYS  46  -9.593   0.352   0.489
  338    HE3  LYS  46           1HE      LYS  46 -10.677  -1.029   0.609
  339    HZ1  LYS  46           3HZ      LYS  46 -11.865   1.061   0.773
  340    HZ2  LYS  46           1HZ      LYS  46 -10.944   1.511   2.118
  341    HZ3  LYS  46           2HZ      LYS  46 -11.995   0.193   2.221
  342    H    VAL  47           H        VAL  47  -7.702  -3.557   2.847
  343    HA   VAL  47           HA       VAL  47  -6.851  -2.882   0.228
  344    HB   VAL  47           HB       VAL  47  -5.218  -3.863   2.575
  345   HG11  VAL  47          1HG1      VAL  47  -4.334  -2.508   0.030
  346   HG12  VAL  47          2HG1      VAL  47  -4.027  -4.187   0.474
  347   HG13  VAL  47          3HG1      VAL  47  -3.301  -2.880   1.410
  348   HG21  VAL  47          3HG2      VAL  47  -6.421  -1.787   3.035
  349   HG22  VAL  47          1HG2      VAL  47  -5.756  -1.069   1.568
  350   HG23  VAL  47          2HG2      VAL  47  -4.686  -1.498   2.901
  351    H    PHE  48           H        PHE  48  -6.893  -5.892   2.077
  352    HA   PHE  48           HA       PHE  48  -5.802  -7.742   0.392
  353    HB2  PHE  48           2HB      PHE  48  -6.794  -8.476   2.451
  354    HB3  PHE  48           1HB      PHE  48  -8.360  -7.828   2.008
  355    HD1  PHE  48           1HD      PHE  48  -9.642  -8.980   0.124
  356    HD2  PHE  48           2HD      PHE  48  -6.260 -10.716   2.036
  357    HE1  PHE  48           1HE      PHE  48 -10.350 -11.203  -0.651
  358    HE2  PHE  48           2HE      PHE  48  -6.956 -12.937   1.254
  359    HZ   PHE  48           HZ       PHE  48  -9.003 -13.186  -0.092
  360    H    GLU  49           H        GLU  49  -9.037  -6.343   0.221
  361    HA   GLU  49           HA       GLU  49  -9.732  -7.605  -2.229
  362    HB2  GLU  49           2HB      GLU  49 -10.870  -5.105  -0.962
  363    HB3  GLU  49           1HB      GLU  49 -11.611  -6.011  -2.273
  364    HG2  GLU  49           2HG      GLU  49 -11.842  -7.948  -0.802
  365    HG3  GLU  49           1HG      GLU  49 -11.098  -7.035   0.509
  366    H    ILE  50           H        ILE  50  -7.946  -4.679  -1.521
  367    HA   ILE  50           HA       ILE  50  -8.497  -3.371  -3.974
  368    HB   ILE  50           HB       ILE  50  -6.066  -2.904  -2.249
  369   HG12  ILE  50          2HG1      ILE  50  -8.748  -1.508  -2.186
  370   HG13  ILE  50          1HG1      ILE  50  -8.219  -2.690  -0.995
  371   HG21  ILE  50          1HG2      ILE  50  -5.912  -0.800  -3.325
  372   HG22  ILE  50          2HG2      ILE  50  -7.497  -0.986  -4.074
  373   HG23  ILE  50          3HG2      ILE  50  -6.149  -1.979  -4.614
  374   HD11  ILE  50          3HD1      ILE  50  -6.273  -1.183  -0.517
  375   HD12  ILE  50          1HD1      ILE  50  -7.854  -0.536  -0.074
  376   HD13  ILE  50          2HD1      ILE  50  -7.052   0.023  -1.541
  377    H    ILE  51           H        ILE  51  -5.516  -5.232  -3.002
  378    HA   ILE  51           HA       ILE  51  -4.334  -4.814  -5.556
  379    HB   ILE  51           HB       ILE  51  -2.882  -6.900  -5.063
  380   HG12  ILE  51          2HG1      ILE  51  -4.644  -7.515  -3.148
  381   HG13  ILE  51          1HG1      ILE  51  -2.939  -7.921  -3.005
  382   HG21  ILE  51          1HG2      ILE  51  -1.404  -5.616  -3.638
  383   HG22  ILE  51          2HG2      ILE  51  -2.716  -4.510  -3.225
  384   HG23  ILE  51          3HG2      ILE  51  -2.123  -4.597  -4.885
  385   HD11  ILE  51          3HD1      ILE  51  -3.850  -7.014  -0.931
  386   HD12  ILE  51          1HD1      ILE  51  -4.274  -5.520  -1.766
  387   HD13  ILE  51          2HD1      ILE  51  -2.581  -5.982  -1.589
  388    H    ASP  52           H        ASP  52  -6.440  -7.297  -4.226
  389    HA   ASP  52           HA       ASP  52  -6.375  -8.690  -6.765
  390    HB2  ASP  52           2HB      ASP  52  -6.711  -9.829  -4.447
  391    HB3  ASP  52           1HB      ASP  52  -8.375  -9.275  -4.597
  392    H    GLN  53           H        GLN  53  -7.134  -6.825  -7.997
  393    HA   GLN  53           HA       GLN  53  -9.399  -5.346  -7.334
  394    HB2  GLN  53           2HB      GLN  53  -9.251  -4.353  -9.501
  395    HB3  GLN  53           1HB      GLN  53  -7.625  -4.626  -8.911
  396    HG2  GLN  53           2HG      GLN  53  -7.346  -5.356 -11.025
  397    HG3  GLN  53           1HG      GLN  53  -7.896  -6.864 -10.300
  398   HE21  GLN  53          1HE2      GLN  53  -9.975  -4.115 -10.948
  399   HE22  GLN  53          2HE2      GLN  53 -10.905  -4.880 -12.185
  400    H    ASP  54           H        ASP  54  -9.182  -8.432  -8.851
  401    HA   ASP  54           HA       ASP  54 -12.053  -8.347  -9.506
  402    HB2  ASP  54           2HB      ASP  54 -11.729 -10.132 -10.975
  403    HB3  ASP  54           1HB      ASP  54 -10.246  -9.201 -11.156
  404    H    LYS  55           H        LYS  55 -10.026  -9.240  -7.049
  405    HA   LYS  55           HA       LYS  55 -10.210 -10.480  -5.168
  406    HB2  LYS  55           2HB      LYS  55 -11.841  -8.668  -4.862
  407    HB3  LYS  55           1HB      LYS  55 -13.110  -9.718  -5.479
  408    HG2  LYS  55           2HG      LYS  55 -12.955 -11.156  -3.607
  409    HG3  LYS  55           1HG      LYS  55 -11.448 -10.413  -3.072
  410    HD2  LYS  55           2HD      LYS  55 -13.335  -9.690  -1.699
  411    HD3  LYS  55           1HD      LYS  55 -12.629  -8.339  -2.584
  412    HE2  LYS  55           2HE      LYS  55 -14.414  -8.433  -4.215
  413    HE3  LYS  55           1HE      LYS  55 -15.094  -9.856  -3.425
  414    HZ1  LYS  55           3HZ      LYS  55 -15.674  -8.596  -1.540
  415    HZ2  LYS  55           1HZ      LYS  55 -16.179  -7.682  -2.869
  416    HZ3  LYS  55           2HZ      LYS  55 -14.764  -7.257  -2.034
  417    H    SER  56           H        SER  56  -9.750 -12.386  -6.651
  418    HA   SER  56           HA       SER  56 -11.738 -14.430  -5.963
  419    HB2  SER  56           2HB      SER  56 -11.021 -15.661  -8.061
  420    HB3  SER  56           1HB      SER  56 -11.971 -14.201  -8.328
  421    HG   SER  56           HG       SER  56 -10.367 -13.422  -9.418
  422    H    ASP  57           H        ASP  57  -9.142 -13.309  -4.869
  423    HA   ASP  57           HA       ASP  57  -7.722 -14.168  -3.331
  424    HB2  ASP  57           2HB      ASP  57  -8.962 -16.719  -4.227
  425    HB3  ASP  57           1HB      ASP  57  -7.453 -16.797  -3.326
  426    H    PHE  58           H        PHE  58  -7.171 -13.802  -6.342
  427    HA   PHE  58           HA       PHE  58  -4.375 -14.589  -6.033
  428    HB2  PHE  58           2HB      PHE  58  -5.964 -15.161  -8.546
  429    HB3  PHE  58           1HB      PHE  58  -4.211 -15.288  -8.410
  430    HD1  PHE  58           1HD      PHE  58  -3.280 -16.927  -6.691
  431    HD2  PHE  58           2HD      PHE  58  -7.326 -16.969  -8.007
  432    HE1  PHE  58           1HE      PHE  58  -3.502 -19.251  -5.919
  433    HE2  PHE  58           2HE      PHE  58  -7.554 -19.295  -7.237
  434    HZ   PHE  58           HZ       PHE  58  -5.643 -20.439  -6.191
  435    H    VAL  59           H        VAL  59  -2.999 -13.023  -6.633
  436    HA   VAL  59           HA       VAL  59  -4.177 -10.642  -7.915
  437    HB   VAL  59           HB       VAL  59  -2.229 -10.661  -5.624
  438   HG11  VAL  59          1HG1      VAL  59  -2.233  -8.748  -7.304
  439   HG12  VAL  59          2HG1      VAL  59  -2.290  -8.395  -5.585
  440   HG13  VAL  59          3HG1      VAL  59  -3.764  -8.300  -6.546
  441   HG21  VAL  59          3HG2      VAL  59  -4.050  -9.824  -4.237
  442   HG22  VAL  59          1HG2      VAL  59  -4.385 -11.441  -4.860
  443   HG23  VAL  59          2HG2      VAL  59  -5.156 -10.038  -5.596
  444    H    GLU  60           H        GLU  60  -3.139 -11.406  -9.928
  445    HA   GLU  60           HA       GLU  60  -0.261 -11.616  -9.983
  446    HB2  GLU  60           2HB      GLU  60  -2.303 -11.589 -12.207
  447    HB3  GLU  60           1HB      GLU  60  -0.577 -11.775 -12.470
  448    HG2  GLU  60           2HG      GLU  60  -0.635 -13.807 -11.049
  449    HG3  GLU  60           1HG      GLU  60  -2.390 -13.644 -10.968
  450    H    GLU  61           H        GLU  61   0.645 -10.326 -12.149
  451    HA   GLU  61           HA       GLU  61   0.919  -7.663 -11.282
  452    HB2  GLU  61           2HB      GLU  61   2.598  -8.848 -12.663
  453    HB3  GLU  61           1HB      GLU  61   1.496  -8.766 -14.032
  454    HG2  GLU  61           2HG      GLU  61   1.510  -6.273 -13.744
  455    HG3  GLU  61           1HG      GLU  61   2.843  -6.496 -12.610
  456    H    ASP  62           H        ASP  62  -1.099  -9.111 -13.805
  457    HA   ASP  62           HA       ASP  62  -2.176  -6.757 -14.875
  458    HB2  ASP  62           2HB      ASP  62  -3.169  -9.571 -14.671
  459    HB3  ASP  62           1HB      ASP  62  -4.252  -8.313 -15.262
  460    H    GLU  63           H        GLU  63  -2.837  -8.455 -11.935
  461    HA   GLU  63           HA       GLU  63  -5.274  -7.165 -11.281
  462    HB2  GLU  63           2HB      GLU  63  -3.810  -9.228 -10.223
  463    HB3  GLU  63           1HB      GLU  63  -3.538  -7.951  -9.047
  464    HG2  GLU  63           2HG      GLU  63  -5.390  -9.154  -8.286
  465    HG3  GLU  63           1HG      GLU  63  -6.032  -7.662  -8.966
  466    H    LEU  64           H        LEU  64  -1.884  -6.612 -10.380
  467    HA   LEU  64           HA       LEU  64  -2.300  -4.330  -8.797
  468    HB2  LEU  64           2HB      LEU  64   0.031  -5.571 -10.142
  469    HB3  LEU  64           1HB      LEU  64   0.189  -3.893  -9.661
  470    HG   LEU  64           HG       LEU  64   1.096  -5.453  -7.986
  471   HD11  LEU  64          1HD1      LEU  64   0.260  -3.264  -7.295
  472   HD12  LEU  64          2HD1      LEU  64   0.018  -4.479  -6.041
  473   HD13  LEU  64          3HD1      LEU  64  -1.340  -3.958  -7.036
  474   HD21  LEU  64          3HD2      LEU  64  -0.446  -6.820  -6.653
  475   HD22  LEU  64          1HD2      LEU  64  -0.394  -7.330  -8.340
  476   HD23  LEU  64          2HD2      LEU  64  -1.759  -6.384  -7.746
  477    H    LYS  65           H        LYS  65  -2.340  -4.770 -12.179
  478    HA   LYS  65           HA       LYS  65  -1.677  -2.150 -12.981
  479    HB2  LYS  65           2HB      LYS  65  -2.622  -4.566 -14.215
  480    HB3  LYS  65           1HB      LYS  65  -3.563  -3.206 -14.807
  481    HG2  LYS  65           2HG      LYS  65  -1.653  -3.677 -16.241
  482    HG3  LYS  65           1HG      LYS  65  -1.528  -2.078 -15.507
  483    HD2  LYS  65           2HD      LYS  65   0.095  -2.841 -13.939
  484    HD3  LYS  65           1HD      LYS  65  -0.160  -4.527 -14.403
  485    HE2  LYS  65           2HE      LYS  65   0.725  -4.068 -16.616
  486    HE3  LYS  65           1HE      LYS  65   0.932  -2.366 -16.205
  487    HZ1  LYS  65           3HZ      LYS  65   2.461  -3.166 -14.397
  488    HZ2  LYS  65           1HZ      LYS  65   3.023  -3.388 -15.977
  489    HZ3  LYS  65           2HZ      LYS  65   2.399  -4.701 -15.117
  490    H    LEU  66           H        LEU  66  -4.810  -3.725 -12.411
  491    HA   LEU  66           HA       LEU  66  -6.062  -1.081 -12.562
  492    HB2  LEU  66           2HB      LEU  66  -7.348  -3.800 -12.712
  493    HB3  LEU  66           1HB      LEU  66  -8.149  -2.255 -12.961
  494    HG   LEU  66           HG       LEU  66  -5.992  -3.467 -14.686
  495   HD11  LEU  66          1HD1      LEU  66  -8.874  -2.815 -15.249
  496   HD12  LEU  66          2HD1      LEU  66  -8.183  -4.427 -15.048
  497   HD13  LEU  66          3HD1      LEU  66  -7.706  -3.426 -16.420
  498   HD21  LEU  66          3HD2      LEU  66  -6.214  -1.477 -16.093
  499   HD22  LEU  66          1HD2      LEU  66  -5.633  -1.062 -14.474
  500   HD23  LEU  66          2HD2      LEU  66  -7.320  -0.767 -14.916
  501    H    PHE  67           H        PHE  67  -4.790  -2.921 -10.267
  502    HA   PHE  67           HA       PHE  67  -6.719  -2.989  -8.237
  503    HB2  PHE  67           2HB      PHE  67  -5.044  -3.924  -7.090
  504    HB3  PHE  67           1HB      PHE  67  -4.032  -3.673  -8.495
  505    HD1  PHE  67           2HD      PHE  67  -2.561  -1.634  -8.579
  506    HD2  PHE  67           1HD      PHE  67  -4.641  -2.819  -5.073
  507    HE1  PHE  67           2HE      PHE  67  -1.050  -0.250  -7.218
  508    HE2  PHE  67           1HE      PHE  67  -3.139  -1.442  -3.703
  509    HZ   PHE  67           HZ       PHE  67  -1.337  -0.153  -4.775
  510    H    LEU  68           H        LEU  68  -4.909  -0.422  -9.634
  511    HA   LEU  68           HA       LEU  68  -5.262   1.573  -7.676
  512    HB2  LEU  68           2HB      LEU  68  -5.117   1.865 -10.680
  513    HB3  LEU  68           1HB      LEU  68  -4.974   3.180  -9.534
  514    HG   LEU  68           HG       LEU  68  -2.788   2.742 -10.209
  515   HD11  LEU  68          1HD1      LEU  68  -2.993   2.978  -7.802
  516   HD12  LEU  68          2HD1      LEU  68  -1.665   1.896  -8.219
  517   HD13  LEU  68          3HD1      LEU  68  -3.191   1.234  -7.634
  518   HD21  LEU  68          3HD2      LEU  68  -3.306   0.574 -11.302
  519   HD22  LEU  68          1HD2      LEU  68  -3.219  -0.192  -9.718
  520   HD23  LEU  68          2HD2      LEU  68  -1.786   0.573 -10.397
  521    H    GLN  69           H        GLN  69  -7.252   0.459 -10.334
  522    HA   GLN  69           HA       GLN  69  -9.214   2.499 -10.143
  523    HB2  GLN  69           2HB      GLN  69  -9.462  -0.295 -11.263
  524    HB3  GLN  69           1HB      GLN  69 -10.565   1.041 -11.564
  525    HG2  GLN  69           2HG      GLN  69  -7.673   0.908 -12.376
  526    HG3  GLN  69           1HG      GLN  69  -9.062   0.713 -13.430
  527   HE21  GLN  69          1HE2      GLN  69  -7.084   2.935 -11.699
  528   HE22  GLN  69          2HE2      GLN  69  -7.742   4.380 -12.377
  529    H    ASN  70           H        ASN  70  -8.488  -0.335  -8.390
  530    HA   ASN  70           HA       ASN  70 -11.087  -0.500  -7.100
  531    HB2  ASN  70           2HB      ASN  70  -9.572  -2.489  -7.439
  532    HB3  ASN  70           1HB      ASN  70  -8.479  -1.784  -6.254
  533   HD21  ASN  70          1HD2      ASN  70  -9.885  -4.292  -6.199
  534   HD22  ASN  70          2HD2      ASN  70 -10.846  -4.291  -4.769
  535    H    PHE  71           H        PHE  71  -7.853   0.688  -6.399
  536    HA   PHE  71           HA       PHE  71  -8.232   1.366  -3.707
  537    HB2  PHE  71           2HB      PHE  71  -6.088   1.315  -5.312
  538    HB3  PHE  71           1HB      PHE  71  -6.419   3.041  -5.375
  539    HD1  PHE  71           1HD      PHE  71  -6.965   4.035  -2.895
  540    HD2  PHE  71           2HD      PHE  71  -4.537   0.654  -3.779
  541    HE1  PHE  71           1HE      PHE  71  -5.783   4.326  -0.756
  542    HE2  PHE  71           2HE      PHE  71  -3.357   0.936  -1.641
  543    HZ   PHE  71           HZ       PHE  71  -3.979   2.773  -0.125
  544    H    SER  72           H        SER  72  -8.624   3.297  -6.670
  545    HA   SER  72           HA       SER  72 -10.392   5.098  -5.237
  546    HB2  SER  72           2HB      SER  72  -9.087   7.093  -6.168
  547    HB3  SER  72           1HB      SER  72  -8.372   6.246  -4.796
  548    HG   SER  72           HG       SER  72  -7.258   4.990  -6.555
  549    H    ALA  73           H        ALA  73 -11.370   6.739  -6.757
  550    HA   ALA  73           HA       ALA  73 -12.343   5.324  -9.047
  551    HB1  ALA  73           1HB      ALA  73 -13.823   7.226  -9.350
  552    HB2  ALA  73           2HB      ALA  73 -12.899   8.154  -8.169
  553    HB3  ALA  73           3HB      ALA  73 -13.801   6.727  -7.658
  554    H    GLY  74           H        GLY  74 -10.373   8.228  -8.550
  555    HA2  GLY  74           2HA      GLY  74  -9.780   8.233 -11.439
  556    HA3  GLY  74           1HA      GLY  74  -9.623   9.626 -10.377
  557    H    ALA  75           H        ALA  75  -8.249   6.499 -11.212
  558    HA   ALA  75           HA       ALA  75  -5.783   7.313  -9.827
  559    HB1  ALA  75           1HB      ALA  75  -6.795   4.495 -10.125
  560    HB2  ALA  75           2HB      ALA  75  -6.980   5.487  -8.678
  561    HB3  ALA  75           3HB      ALA  75  -5.370   5.031  -9.233
  562    H    ARG  76           H        ARG  76  -3.826   6.186 -10.639
  563    HA   ARG  76           HA       ARG  76  -3.902   6.005 -13.557
  564    HB2  ARG  76           2HB      ARG  76  -1.504   6.607 -11.831
  565    HB3  ARG  76           1HB      ARG  76  -1.619   6.761 -13.573
  566    HG2  ARG  76           2HG      ARG  76  -3.236   8.407 -11.651
  567    HG3  ARG  76           1HG      ARG  76  -1.670   8.904 -12.286
  568    HD2  ARG  76           2HD      ARG  76  -3.295   9.949 -13.628
  569    HD3  ARG  76           1HD      ARG  76  -2.648   8.629 -14.591
  570    HE   ARG  76           HE       ARG  76  -4.831   7.537 -13.420
  571   HH11  ARG  76          1HH1      ARG  76  -4.334  10.466 -15.266
  572   HH12  ARG  76          2HH1      ARG  76  -5.925  10.452 -15.955
  573   HH21  ARG  76          1HH2      ARG  76  -6.923   7.511 -14.315
  574   HH22  ARG  76          2HH2      ARG  76  -7.402   8.768 -15.412
  575    H    ALA  77           H        ALA  77  -3.440   4.065 -14.439
  576    HA   ALA  77           HA       ALA  77  -2.930   1.798 -12.834
  577    HB1  ALA  77           1HB      ALA  77  -2.710   2.118 -15.824
  578    HB2  ALA  77           2HB      ALA  77  -4.140   1.604 -14.926
  579    HB3  ALA  77           3HB      ALA  77  -2.701   0.580 -14.959
  580    H    LEU  78           H        LEU  78  -1.103   1.160 -11.976
  581    HA   LEU  78           HA       LEU  78   1.396   2.369 -12.484
  582    HB2  LEU  78           2HB      LEU  78   0.397   0.116 -10.838
  583    HB3  LEU  78           1HB      LEU  78   2.111   0.130 -11.192
  584    HG   LEU  78           HG       LEU  78   2.424   2.200 -10.054
  585   HD11  LEU  78          1HD1      LEU  78   0.571   3.446  -9.029
  586   HD12  LEU  78          2HD1      LEU  78  -0.572   2.368  -9.832
  587   HD13  LEU  78          3HD1      LEU  78   0.475   3.415 -10.789
  588   HD21  LEU  78          3HD2      LEU  78   2.285   0.239  -8.628
  589   HD22  LEU  78          1HD2      LEU  78   0.544   0.463  -8.469
  590   HD23  LEU  78          2HD2      LEU  78   1.651   1.661  -7.799
  591    H    SER  79           H        SER  79   3.052   1.816 -13.771
  592    HA   SER  79           HA       SER  79   3.095  -0.773 -15.088
  593    HB2  SER  79           2HB      SER  79   3.012   1.825 -16.648
  594    HB3  SER  79           1HB      SER  79   3.268   0.224 -17.339
  595    HG   SER  79           HG       SER  79   1.035   0.379 -15.762
  596    H    ASP  80           H        ASP  80   5.084  -0.630 -16.760
  597    HA   ASP  80           HA       ASP  80   7.340  -0.565 -16.979
  598    HB2  ASP  80           2HB      ASP  80   6.837   2.016 -15.544
  599    HB3  ASP  80           1HB      ASP  80   8.492   1.466 -15.756
  600    H    ALA  81           H        ALA  81   9.289   0.278 -15.047
  601    HA   ALA  81           HA       ALA  81   9.683  -2.114 -13.735
  602    HB1  ALA  81           1HB      ALA  81  11.464  -0.512 -14.189
  603    HB2  ALA  81           2HB      ALA  81  11.443  -0.973 -12.487
  604    HB3  ALA  81           3HB      ALA  81  10.790   0.588 -12.986
  605    H    GLU  82           H        GLU  82   7.747   0.584 -12.739
  606    HA   GLU  82           HA       GLU  82   7.812   0.409  -9.970
  607    HB2  GLU  82           2HB      GLU  82   6.714   2.265 -10.856
  608    HB3  GLU  82           1HB      GLU  82   5.778   1.303 -11.985
  609    HG2  GLU  82           2HG      GLU  82   4.302   2.174 -10.358
  610    HG3  GLU  82           1HG      GLU  82   4.462   0.446 -10.075
  611    H    THR  83           H        THR  83   5.585  -1.266 -12.221
  612    HA   THR  83           HA       THR  83   4.295  -2.682 -10.129
  613    HB   THR  83           HB       THR  83   4.404  -3.810 -12.899
  614    HG1  THR  83           1HG      THR  83   3.306  -1.332 -12.094
  615   HG21  THR  83          3HG2      THR  83   3.093  -4.894 -11.090
  616   HG22  THR  83          1HG2      THR  83   2.078  -4.327 -12.421
  617   HG23  THR  83          2HG2      THR  83   2.158  -3.407 -10.919
  618    H    LYS  84           H        LYS  84   7.209  -3.260 -11.963
  619    HA   LYS  84           HA       LYS  84   7.300  -6.076 -11.520
  620    HB2  LYS  84           2HB      LYS  84   9.645  -4.291 -12.145
  621    HB3  LYS  84           1HB      LYS  84   9.441  -5.995 -12.521
  622    HG2  LYS  84           2HG      LYS  84   7.818  -3.771 -13.714
  623    HG3  LYS  84           1HG      LYS  84   9.216  -4.525 -14.478
  624    HD2  LYS  84           2HD      LYS  84   8.072  -6.679 -14.480
  625    HD3  LYS  84           1HD      LYS  84   6.681  -5.951 -13.676
  626    HE2  LYS  84           2HE      LYS  84   6.290  -6.187 -16.072
  627    HE3  LYS  84           1HE      LYS  84   6.324  -4.491 -15.595
  628    HZ1  LYS  84           3HZ      LYS  84   8.575  -5.967 -16.849
  629    HZ2  LYS  84           1HZ      LYS  84   8.583  -4.333 -16.417
  630    HZ3  LYS  84           2HZ      LYS  84   7.554  -4.880 -17.640
  631    H    VAL  85           H        VAL  85   9.300  -3.416 -10.262
  632    HA   VAL  85           HA       VAL  85  10.563  -5.160  -8.364
  633    HB   VAL  85           HB       VAL  85  11.939  -3.468  -9.306
  634   HG11  VAL  85          1HG1      VAL  85  11.497  -1.071  -9.075
  635   HG12  VAL  85          2HG1      VAL  85   9.959  -1.435  -8.292
  636   HG13  VAL  85          3HG1      VAL  85  10.219  -1.890  -9.979
  637   HG21  VAL  85          3HG2      VAL  85  12.748  -2.245  -7.345
  638   HG22  VAL  85          1HG2      VAL  85  12.414  -3.936  -6.970
  639   HG23  VAL  85          2HG2      VAL  85  11.278  -2.679  -6.474
  640    H    PHE  86           H        PHE  86   8.005  -2.745  -8.239
  641    HA   PHE  86           HA       PHE  86   8.110  -2.709  -5.368
  642    HB2  PHE  86           2HB      PHE  86   6.549  -1.176  -7.412
  643    HB3  PHE  86           1HB      PHE  86   6.189  -1.061  -5.701
  644    HD1  PHE  86           1HD      PHE  86   8.705  -1.055  -4.380
  645    HD2  PHE  86           2HD      PHE  86   7.637   0.738  -8.085
  646    HE1  PHE  86           1HE      PHE  86  10.518   0.592  -4.105
  647    HE2  PHE  86           2HE      PHE  86   9.443   2.385  -7.821
  648    HZ   PHE  86           HZ       PHE  86  10.888   2.314  -5.828
  649    H    LEU  87           H        LEU  87   6.226  -4.359  -7.808
  650    HA   LEU  87           HA       LEU  87   4.386  -5.337  -5.803
  651    HB2  LEU  87           2HB      LEU  87   3.370  -5.518  -7.843
  652    HB3  LEU  87           1HB      LEU  87   4.864  -5.865  -8.682
  653    HG   LEU  87           HG       LEU  87   3.956  -8.019  -6.900
  654   HD11  LEU  87          1HD1      LEU  87   1.777  -7.259  -7.689
  655   HD12  LEU  87          2HD1      LEU  87   2.215  -8.790  -8.448
  656   HD13  LEU  87          3HD1      LEU  87   2.364  -7.285  -9.353
  657   HD21  LEU  87          3HD2      LEU  87   4.800  -7.898  -9.797
  658   HD22  LEU  87          1HD2      LEU  87   4.574  -9.368  -8.847
  659   HD23  LEU  87          2HD2      LEU  87   5.859  -8.234  -8.426
  660    H    LYS  88           H        LYS  88   7.508  -6.161  -7.076
  661    HA   LYS  88           HA       LYS  88   7.722  -8.709  -5.837
  662    HB2  LYS  88           2HB      LYS  88   9.224  -8.119  -7.618
  663    HB3  LYS  88           1HB      LYS  88   9.833  -6.732  -6.723
  664    HG2  LYS  88           2HG      LYS  88  11.445  -8.501  -6.660
  665    HG3  LYS  88           1HG      LYS  88  10.754  -8.304  -5.046
  666    HD2  LYS  88           2HD      LYS  88   9.236 -10.175  -5.476
  667    HD3  LYS  88           1HD      LYS  88   9.945 -10.370  -7.081
  668    HE2  LYS  88           2HE      LYS  88  10.864 -11.979  -5.467
  669    HE3  LYS  88           1HE      LYS  88  12.103 -10.885  -6.082
  670    HZ1  LYS  88           3HZ      LYS  88  11.935  -9.595  -4.057
  671    HZ2  LYS  88           1HZ      LYS  88  12.270 -11.207  -3.681
  672    HZ3  LYS  88           2HZ      LYS  88  10.707 -10.597  -3.472
  673    H    ALA  89           H        ALA  89   7.939  -5.458  -4.677
  674    HA   ALA  89           HA       ALA  89   9.356  -5.781  -2.299
  675    HB1  ALA  89           1HB      ALA  89   8.195  -3.847  -1.468
  676    HB2  ALA  89           2HB      ALA  89   6.894  -4.063  -2.636
  677    HB3  ALA  89           3HB      ALA  89   8.510  -3.607  -3.187
  678    H    GLY  90           H        GLY  90   6.294  -6.995  -3.245
  679    HA2  GLY  90           2HA      GLY  90   5.601  -7.663  -0.463
  680    HA3  GLY  90           1HA      GLY  90   4.475  -7.642  -1.814
  681    H    ASP  91           H        ASP  91   5.358  -9.156  -3.684
  682    HA   ASP  91           HA       ASP  91   4.954 -11.789  -2.796
  683    HB2  ASP  91           2HB      ASP  91   4.560 -10.914  -5.109
  684    HB3  ASP  91           1HB      ASP  91   6.303 -10.939  -5.362
  685    H    SER  92           H        SER  92   6.351 -12.978  -1.606
  686    HA   SER  92           HA       SER  92   9.149 -12.198  -1.510
  687    HB2  SER  92           2HB      SER  92   7.750 -14.347   0.094
  688    HB3  SER  92           1HB      SER  92   9.278 -13.554   0.471
  689    HG   SER  92           HG       SER  92   6.656 -12.491   0.562
  690    H    ASP  93           H        ASP  93   7.154 -14.571  -2.913
  691    HA   ASP  93           HA       ASP  93   9.242 -16.564  -3.203
  692    HB2  ASP  93           2HB      ASP  93   6.801 -16.662  -4.910
  693    HB3  ASP  93           1HB      ASP  93   7.649 -17.968  -4.092
  694    H    GLY  94           H        GLY  94   8.044 -13.848  -4.920
  695    HA2  GLY  94           2HA      GLY  94   8.650 -12.886  -6.922
  696    HA3  GLY  94           1HA      GLY  94   9.990 -14.027  -6.994
  697    H    ASP  95           H        ASP  95   6.490 -14.523  -6.859
  698    HA   ASP  95           HA       ASP  95   6.791 -16.341  -9.147
  699    HB2  ASP  95           2HB      ASP  95   4.977 -17.645  -8.272
  700    HB3  ASP  95           1HB      ASP  95   6.128 -17.375  -6.972
  701    H    GLY  96           H        GLY  96   5.440 -13.389  -8.188
  702    HA2  GLY  96           2HA      GLY  96   4.843 -11.936 -10.013
  703    HA3  GLY  96           1HA      GLY  96   4.140 -13.315 -10.836
  704    H    LYS  97           H        LYS  97   3.514 -12.664  -7.447
  705    HA   LYS  97           HA       LYS  97   0.966 -11.345  -8.011
  706    HB2  LYS  97           2HB      LYS  97  -0.398 -13.017  -6.924
  707    HB3  LYS  97           1HB      LYS  97   0.458 -13.768  -8.265
  708    HG2  LYS  97           2HG      LYS  97   1.926 -14.900  -6.845
  709    HG3  LYS  97           1HG      LYS  97   1.498 -13.905  -5.440
  710    HD2  LYS  97           2HD      LYS  97   0.473 -16.102  -5.265
  711    HD3  LYS  97           1HD      LYS  97  -0.781 -14.890  -5.527
  712    HE2  LYS  97           2HE      LYS  97  -1.260 -16.802  -6.897
  713    HE3  LYS  97           1HE      LYS  97  -0.765 -15.471  -7.939
  714    HZ1  LYS  97           3HZ      LYS  97   0.362 -17.350  -8.724
  715    HZ2  LYS  97           1HZ      LYS  97   0.795 -17.863  -7.171
  716    HZ3  LYS  97           2HZ      LYS  97   1.529 -16.497  -7.843
  717    H    ILE  98           H        ILE  98   0.139 -10.296  -6.345
  718    HA   ILE  98           HA       ILE  98   1.818 -10.065  -3.996
  719    HB   ILE  98           HB       ILE  98  -0.577  -8.520  -4.958
  720   HG12  ILE  98          2HG1      ILE  98   1.595  -7.983  -5.964
  721   HG13  ILE  98          1HG1      ILE  98   0.987  -6.647  -4.989
  722   HG21  ILE  98          1HG2      ILE  98   0.846  -8.236  -2.323
  723   HG22  ILE  98          2HG2      ILE  98  -0.827  -8.745  -2.567
  724   HG23  ILE  98          3HG2      ILE  98  -0.337  -7.099  -2.968
  725   HD11  ILE  98          3HD1      ILE  98   3.131  -8.614  -4.230
  726   HD12  ILE  98          1HD1      ILE  98   2.462  -7.390  -3.151
  727   HD13  ILE  98          2HD1      ILE  98   3.331  -6.904  -4.607
  728    H    GLY  99           H        GLY  99   1.490 -11.964  -2.859
  729    HA2  GLY  99           2HA      GLY  99  -1.021 -12.782  -1.871
  730    HA3  GLY  99           1HA      GLY  99   0.518 -12.955  -1.017
  731    H    VAL 100           H        VAL 100  -2.266 -11.917  -0.189
  732    HA   VAL 100           HA       VAL 100  -2.034  -9.122   0.073
  733    HB   VAL 100           HB       VAL 100  -3.721 -11.082   1.613
  734   HG11  VAL 100          1HG1      VAL 100  -3.392  -8.994   2.851
  735   HG12  VAL 100          2HG1      VAL 100  -5.050  -9.158   2.278
  736   HG13  VAL 100          3HG1      VAL 100  -3.934  -8.081   1.442
  737   HG21  VAL 100          3HG2      VAL 100  -5.488 -10.247   0.072
  738   HG22  VAL 100          1HG2      VAL 100  -4.177 -11.078  -0.766
  739   HG23  VAL 100          2HG2      VAL 100  -4.257  -9.318  -0.784
  740    H    ASP 101           H        ASP 101  -1.238 -11.774   2.231
  741    HA   ASP 101           HA       ASP 101  -0.303 -10.314   4.428
  742    HB2  ASP 101           2HB      ASP 101  -0.603 -12.818   4.255
  743    HB3  ASP 101           1HB      ASP 101   0.905 -12.868   3.347
  744    H    GLU 102           H        GLU 102   1.303 -11.386   1.482
  745    HA   GLU 102           HA       GLU 102   3.872 -10.397   1.900
  746    HB2  GLU 102           2HB      GLU 102   2.374 -10.444  -0.728
  747    HB3  GLU 102           1HB      GLU 102   4.117 -10.470  -0.512
  748    HG2  GLU 102           2HG      GLU 102   2.328 -12.653   0.506
  749    HG3  GLU 102           1HG      GLU 102   2.999 -12.643  -1.118
  750    H    PHE 103           H        PHE 103   1.007  -8.837   0.529
  751    HA   PHE 103           HA       PHE 103   2.208  -6.400  -0.188
  752    HB2  PHE 103           2HB      PHE 103  -0.125  -7.303  -0.814
  753    HB3  PHE 103           1HB      PHE 103  -0.653  -6.633   0.725
  754    HD1  PHE 103           1HD      PHE 103   1.318  -5.578  -2.260
  755    HD2  PHE 103           2HD      PHE 103  -1.570  -4.532   0.674
  756    HE1  PHE 103           1HE      PHE 103   1.039  -3.383  -3.332
  757    HE2  PHE 103           2HE      PHE 103  -1.857  -2.330  -0.391
  758    HZ   PHE 103           HZ       PHE 103  -0.553  -1.754  -2.396
  759    H    GLY 104           H        GLY 104   0.509  -7.396   2.764
  760    HA2  GLY 104           2HA      GLY 104   0.602  -5.013   4.185
  761    HA3  GLY 104           1HA      GLY 104   0.648  -6.608   4.918
  762    H    ALA 105           H        ALA 105   3.120  -7.412   3.703
  763    HA   ALA 105           HA       ALA 105   4.924  -6.325   5.617
  764    HB1  ALA 105           1HB      ALA 105   5.068  -8.643   4.848
  765    HB2  ALA 105           2HB      ALA 105   6.584  -7.782   4.583
  766    HB3  ALA 105           3HB      ALA 105   5.493  -8.083   3.230
  767    H    MET 106           H        MET 106   4.338  -5.679   2.188
  768    HA   MET 106           HA       MET 106   6.705  -4.043   1.946
  769    HB2  MET 106           2HB      MET 106   6.175  -3.739  -0.280
  770    HB3  MET 106           1HB      MET 106   5.373  -5.272   0.031
  771    HG2  MET 106           2HG      MET 106   3.263  -4.308   0.039
  772    HG3  MET 106           1HG      MET 106   3.902  -2.701   0.346
  773    HE1  MET 106           3HE      MET 106   4.021  -4.815  -3.744
  774    HE2  MET 106           1HE      MET 106   3.207  -5.461  -2.321
  775    HE3  MET 106           2HE      MET 106   4.969  -5.378  -2.368
  776    H    ILE 107           H        ILE 107   3.474  -3.616   3.023
  777    HA   ILE 107           HA       ILE 107   3.321  -0.786   2.559
  778    HB   ILE 107           HB       ILE 107   1.684  -2.479   4.470
  779   HG12  ILE 107          2HG1      ILE 107   1.012  -1.608   1.654
  780   HG13  ILE 107          1HG1      ILE 107   1.531  -3.231   2.101
  781   HG21  ILE 107          1HG2      ILE 107   0.064  -0.659   4.318
  782   HG22  ILE 107          2HG2      ILE 107   1.179   0.246   3.294
  783   HG23  ILE 107          3HG2      ILE 107   1.606  -0.106   4.969
  784   HD11  ILE 107          3HD1      ILE 107  -0.936  -1.863   3.140
  785   HD12  ILE 107          1HD1      ILE 107  -0.438  -3.521   3.463
  786   HD13  ILE 107          2HD1      ILE 107  -0.899  -3.043   1.831
  787    H    LYS 108           H        LYS 108   4.255  -2.933   5.103
  788    HA   LYS 108           HA       LYS 108   4.635  -0.789   7.011
  789    HB2  LYS 108           2HB      LYS 108   3.710  -2.769   7.893
  790    HB3  LYS 108           1HB      LYS 108   4.923  -3.788   7.125
  791    HG2  LYS 108           2HG      LYS 108   5.860  -1.791   9.113
  792    HG3  LYS 108           1HG      LYS 108   4.968  -3.187   9.714
  793    HD2  LYS 108           2HD      LYS 108   7.418  -3.323   7.954
  794    HD3  LYS 108           1HD      LYS 108   7.420  -3.535   9.706
  795    HE2  LYS 108           2HE      LYS 108   5.828  -5.438   9.395
  796    HE3  LYS 108           1HE      LYS 108   6.056  -5.277   7.656
  797    HZ1  LYS 108           3HZ      LYS 108   7.479  -6.990   8.560
  798    HZ2  LYS 108           1HZ      LYS 108   8.183  -5.888   9.634
  799    HZ3  LYS 108           2HZ      LYS 108   8.418  -5.714   7.971
  800    H    ALA 109           H        ALA 109   6.569  -2.789   4.885
  801    HA   ALA 109           HA       ALA 109   8.946  -1.311   5.801
  802    HB1  ALA 109           1HB      ALA 109   8.836  -4.177   4.874
  803    HB2  ALA 109           2HB      ALA 109   9.117  -3.621   6.523
  804    HB3  ALA 109           3HB      ALA 109  10.304  -3.283   5.264