*HEADER    PROTEIN BINDING                         02-SEP-08   2K85              
*TITLE     P190-A RHOGAP FF1 DOMAIN                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUCOCORTICOID RECEPTOR DNA-BINDING FACTOR 1;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 267-331;                                      
*COMPND   5 SYNONYM: GLUCOCORTICOID RECEPTOR REPRESSION FACTOR 1, GRF-           
*COMPND   6 1, RHO GAP P190A, P190-A;                                            
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: GRLF1, GRF1, KIAA1722;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET_TRX;                                   
*SOURCE  10 OTHER_DETAILS: CONTAINS A HIS-TAG, A THIOREDOXIN FUSION              
*SOURCE  11 PROTEIN AND A TEV CLEAVAGE-SITE                                      
*KEYWDS    FF DOMAIN, P190-A RHOGAP, PROTEIN PHOSPHORYLATION,                    
*KEYWDS   2 ALTERNATIVE SPLICING, ANTI-ONCOGENE, CELL CYCLE, CYTOPLASM,          
*KEYWDS   3 DNA-BINDING, GTPASE ACTIVATION, NUCLEUS, PHOSPHOPROTEIN,             
*KEYWDS   4 REPRESSOR, TRANSCRIPTION, TRANSCRIPTION REGULATION, PROTEIN          
*KEYWDS   5 BINDING                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    R.BONET, L.RUIZ, P.MARTIN-MALPARTIDA, M.MACIAS                        
*REVDAT   1   19-MAY-09 2K85    0                                                


assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HA) 2.363 0.670 0.670 ! spec=13C-Noesy, no=4, id=1756
assign (segid "    " and resid   66 and name HD22) (segid "    " and resid   25 and name   HA) 3.035 1.105 1.105 ! spec=13C-Noesy, no=5, id=1757
    or (segid "    " and resid   66 and name HD21) (segid "    " and resid   25 and name   HA)
    or (segid "    " and resid   66 and name HD23) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HA) 2.458 0.725 0.725 ! spec=13C-Noesy, no=8, id=1759
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HA) 2.410 0.697 0.697 ! spec=13C-Noesy, no=9, id=1760
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.041 0.500 0.500 ! spec=13C-Noesy, no=20, id=1764
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name  HB2) 1.635 0.321 0.321 ! spec=13C-Noesy, no=21, id=1765
assign (segid "    " and resid   66 and name HD22) (segid "    " and resid   24 and name   HA) 2.750 0.908 0.908 ! spec=13C-Noesy, no=24, id=1768
    or (segid "    " and resid   66 and name HD21) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   66 and name HD23) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   26 and name   HA) 2.726 0.891 0.891 ! spec=13C-Noesy, no=30, id=1773
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HA) 2.073 0.516 0.516 ! spec=13C-Noesy, no=32, id=1775
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   26 and name   HA) 2.327 0.650 0.650 ! spec=13C-Noesy, no=33, id=1776
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   66 and name  HB2) 2.893 1.005 1.005 ! spec=13C-Noesy, no=36, id=1779
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   67 and name  HB2) 2.950 1.044 1.044 ! spec=13C-Noesy, no=40, id=1783
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   67 and name  HD2) 2.633 0.832 0.832 ! spec=13C-Noesy, no=43, id=1784
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HB2) 2.629 0.830 0.830 ! spec=13C-Noesy, no=44, id=1785
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 1.894 0.431 0.431 ! spec=13C-Noesy, no=47, id=1787
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HA) 2.131 0.545 0.545 ! spec=13C-Noesy, no=50, id=1789
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   26 and name  HB1) 2.775 0.924 0.924 ! spec=13C-Noesy, no=52, id=1791
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   26 and name  HB2) 2.857 0.979 0.979 ! spec=13C-Noesy, no=58, id=1797
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   26 and name  HB1) 2.637 0.835 0.835 ! spec=13C-Noesy, no=65, id=1804
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   26 and name  HB1)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   26 and name  HB2) 2.711 0.882 0.882 ! spec=13C-Noesy, no=67, id=1806
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   26 and name  HB2) 2.181 0.571 0.571 ! spec=13C-Noesy, no=72, id=1811
    or (segid "    " and resid   63 and name HG21) (segid "    " and resid   26 and name  HB2)
    or (segid "    " and resid   63 and name HG23) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   63 and name HD12) (segid "    " and resid   26 and name   HA) 2.085 0.522 0.522 ! spec=13C-Noesy, no=74, id=1813
    or (segid "    " and resid   63 and name HD11) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   63 and name HD13) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   63 and name HD12) (segid "    " and resid   26 and name  HB2) 2.568 0.791 0.791 ! spec=13C-Noesy, no=75, id=1814
    or (segid "    " and resid   63 and name HD11) (segid "    " and resid   26 and name  HB2)
    or (segid "    " and resid   63 and name HD13) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   63 and name HD12) (segid "    " and resid   26 and name  HB1) 2.515 0.759 0.759 ! spec=13C-Noesy, no=76, id=1815
    or (segid "    " and resid   63 and name HD11) (segid "    " and resid   26 and name  HB1)
    or (segid "    " and resid   63 and name HD13) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   10 and name   HA) 2.722 0.889 0.889 ! spec=13C-Noesy, no=96, id=1833
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HB) 1.953 0.458 0.458 ! spec=13C-Noesy, no=99, id=1835
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name   HA) 2.861 0.982 0.982 ! spec=Noesy-H2O, no=18, id=0
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 3.025 1.098 1.098 ! spec=Noesy-H2O, no=20, id=1
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HA) 3.136 1.180 1.180 ! spec=Noesy-H2O, no=21, id=2
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name   HA) 2.463 0.728 0.728 ! spec=Noesy-H2O, no=23, id=3
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name   HA)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB2) 2.941 1.038 1.038 ! spec=Noesy-H2O, no=24, id=4
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   15 and name  HB2) 3.261 1.276 1.276 ! spec=Noesy-H2O, no=28, id=6
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   15 and name  HB2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HB2) 2.574 0.795 0.795 ! spec=Noesy-H2O, no=29, id=7
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name  HB2)
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB1) 2.948 1.043 1.043 ! spec=Noesy-H2O, no=30, id=8
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   15 and name  HB1) 2.607 0.815 0.815 ! spec=Noesy-H2O, no=35, id=9
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.522 0.763 0.763 ! spec=Noesy-H2O, no=48, id=10
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HA) 2.274 0.621 0.621 ! spec=Noesy-H2O, no=52, id=11
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HA) 2.969 1.058 1.058 ! spec=Noesy-H2O, no=58, id=12
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB2) 3.170 1.206 1.206 ! spec=Noesy-H2O, no=62, id=15
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HB2) 2.315 0.643 0.643 ! spec=Noesy-H2O, no=65, id=16
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB1) 3.213 1.238 1.238 ! spec=Noesy-H2O, no=66, id=17
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA) 3.130 1.176 1.176 ! spec=Noesy-H2O, no=74, id=18
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 3.131 1.177 1.177 ! spec=Noesy-H2O, no=77, id=19
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB2) 3.150 1.190 1.190 ! spec=Noesy-H2O, no=78, id=20
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB1) 3.038 1.108 1.108 ! spec=Noesy-H2O, no=82, id=22
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HA) 2.618 0.822 0.822 ! spec=Noesy-H2O, no=90, id=23
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.718 0.887 0.887 ! spec=Noesy-H2O, no=94, id=24
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HA) 2.300 0.635 0.635 ! spec=Noesy-H2O, no=106, id=25
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   39 and name   HA) 1.914 0.440 0.440 ! spec=Noesy-H2O, no=108, id=26
    or (segid "    " and resid   39 and name  HB1) (segid "    " and resid   39 and name   HA)
    or (segid "    " and resid   39 and name  HB3) (segid "    " and resid   39 and name   HA)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HA) 2.535 0.771 0.771 ! spec=Noesy-H2O, no=118, id=27
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 2.816 0.951 0.951 ! spec=Noesy-H2O, no=122, id=28
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HA2) 2.841 0.969 0.969 ! spec=Noesy-H2O, no=128, id=29
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HA1) 2.519 0.762 0.762 ! spec=Noesy-H2O, no=131, id=31
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name   HA) 2.819 0.953 0.953 ! spec=Noesy-H2O, no=140, id=32
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name   HA) 2.330 0.651 0.651 ! spec=Noesy-H2O, no=142, id=33
    or (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name   HA)
    or (segid "    " and resid   55 and name  HB3) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HN) 3.208 1.235 1.235 ! spec=Noesy-H2O, no=173, id=34
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 2.730 0.894 0.894 ! spec=Noesy-H2O, no=174, id=35
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HN) 2.800 0.941 0.941 ! spec=Noesy-H2O, no=175, id=36
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 2.874 0.991 0.991 ! spec=Noesy-H2O, no=176, id=37
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 3.105 1.157 1.157 ! spec=Noesy-H2O, no=177, id=38
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HN) 2.920 1.023 1.023 ! spec=Noesy-H2O, no=178, id=39
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name   HN) 3.109 1.160 1.160 ! spec=Noesy-H2O, no=179, id=40
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 2.142 0.551 0.551 ! spec=Noesy-H2O, no=180, id=41
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1)
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB3)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 2.603 0.813 0.813 ! spec=Noesy-H2O, no=181, id=42
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.052 0.505 0.505 ! spec=Noesy-H2O, no=182, id=43
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid    9 and name  HB3) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB2) 2.449 0.720 0.720 ! spec=Noesy-H2O, no=183, id=44
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HA) 2.771 0.921 0.921 ! spec=Noesy-H2O, no=185, id=46
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HA) 2.512 0.757 0.757 ! spec=Noesy-H2O, no=186, id=47
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA) 2.565 0.789 0.789 ! spec=Noesy-H2O, no=187, id=48
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB2) 2.637 0.834 0.834 ! spec=Noesy-H2O, no=188, id=49
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB1)
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB3)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG21) 2.638 0.835 0.835 ! spec=Noesy-H2O, no=189, id=50
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG22)
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HG23)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 3.169 1.205 1.205 ! spec=Noesy-H2O, no=190, id=51
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HB) 3.217 1.242 1.242 ! spec=Noesy-H2O, no=191, id=52
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HB) 2.130 0.544 0.544 ! spec=Noesy-H2O, no=192, id=53
    or (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HB)
    or (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HB)
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   10 and name   HA) 2.067 0.513 0.513 ! spec=Noesy-H2O, no=193, id=54
    or (segid "    " and resid   10 and name HG22) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid   10 and name HG23) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name   HA) 3.089 1.145 1.145 ! spec=Noesy-H2O, no=195, id=56
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HA) 3.230 1.252 1.252 ! spec=Noesy-H2O, no=196, id=57
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 2.843 0.970 0.970 ! spec=Noesy-H2O, no=197, id=58
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 3.258 1.274 1.274 ! spec=Noesy-H2O, no=198, id=59
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HB) 3.222 1.246 1.246 ! spec=Noesy-H2O, no=199, id=60
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.827 0.959 0.959 ! spec=Noesy-H2O, no=200, id=61
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB2) 2.922 1.025 1.025 ! spec=Noesy-H2O, no=201, id=62
    or (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HA) 3.575 1.533 1.533 ! spec=Noesy-H2O, no=202, id=63
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 2.258 0.612 0.612 ! spec=Noesy-H2O, no=203, id=64
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HA)
    or (segid "    " and resid   11 and name  HB3) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   11 and name   HN) 3.466 1.442 1.442 ! spec=Noesy-H2O, no=204, id=65
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   61 and name   HN) 2.814 0.950 0.950 ! spec=Noesy-H2O, no=206, id=66
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   58 and name   HN) 3.246 1.264 1.264 ! spec=Noesy-H2O, no=207, id=67
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HN) 2.842 0.969 0.969 ! spec=Noesy-H2O, no=208, id=68
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name   HN) 2.725 0.891 0.891 ! spec=Noesy-H2O, no=209, id=69
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   64 and name   HN) 2.262 0.614 0.614 ! spec=Noesy-H2O, no=210, id=70
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name   HN) 2.328 0.650 0.650 ! spec=Noesy-H2O, no=211, id=71
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name   HN) 2.483 0.740 0.740 ! spec=Noesy-H2O, no=212, id=72
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   59 and name   HN) 2.648 0.841 0.841 ! spec=Noesy-H2O, no=213, id=73
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HN) 2.717 0.886 0.886 ! spec=Noesy-H2O, no=214, id=74
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name   HN) 2.704 0.877 0.877 ! spec=Noesy-H2O, no=215, id=75
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HN) 3.162 1.200 1.200 ! spec=Noesy-H2O, no=216, id=76
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name   HN) 2.563 0.788 0.788 ! spec=Noesy-H2O, no=217, id=77
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   58 and name   HN) 2.414 0.699 0.699 ! spec=Noesy-H2O, no=218, id=78
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   57 and name   HN) 2.741 0.901 0.901 ! spec=Noesy-H2O, no=219, id=79
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HN) 2.775 0.924 0.924 ! spec=Noesy-H2O, no=220, id=80
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   49 and name   HN) 2.679 0.861 0.861 ! spec=Noesy-H2O, no=221, id=81
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HN) 3.050 1.117 1.117 ! spec=Noesy-H2O, no=222, id=82
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 2.639 0.836 0.836 ! spec=Noesy-H2O, no=223, id=83
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG21) 3.378 1.369 1.369 ! spec=Noesy-H2O, no=224, id=84
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG22)
    or (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HG23)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA) 2.972 1.060 1.060 ! spec=Noesy-H2O, no=225, id=85
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.633 0.832 0.832 ! spec=Noesy-H2O, no=226, id=86
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HA2) 3.259 1.274 1.274 ! spec=Noesy-H2O, no=227, id=87
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HA1) 2.943 1.040 1.040 ! spec=Noesy-H2O, no=228, id=88
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 3.198 1.227 1.227 ! spec=Noesy-H2O, no=229, id=89
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HA) 3.042 1.111 1.111 ! spec=Noesy-H2O, no=230, id=90
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HA) 3.162 1.200 1.200 ! spec=Noesy-H2O, no=234, id=91
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name  HB2) 2.948 1.043 1.043 ! spec=Noesy-H2O, no=235, id=92
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    4 and name   HN) 3.407 1.393 1.393 ! spec=Noesy-H2O, no=238, id=93
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 2.603 0.813 0.813 ! spec=Noesy-H2O, no=239, id=94
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name   HN) 2.504 0.753 0.753 ! spec=Noesy-H2O, no=240, id=95
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 2.548 0.779 0.779 ! spec=Noesy-H2O, no=241, id=96
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HN) 3.062 1.125 1.125 ! spec=Noesy-H2O, no=242, id=97
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.666 0.853 0.853 ! spec=Noesy-H2O, no=243, id=98
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name   HN) 3.230 1.252 1.252 ! spec=Noesy-H2O, no=244, id=99
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 2.809 0.947 0.947 ! spec=Noesy-H2O, no=245, id=100
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 2.844 0.971 0.971 ! spec=Noesy-H2O, no=246, id=101
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 2.778 0.926 0.926 ! spec=Noesy-H2O, no=247, id=102
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HN) 2.679 0.861 0.861 ! spec=Noesy-H2O, no=248, id=103
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   48 and name   HN) 2.772 0.922 0.922 ! spec=Noesy-H2O, no=249, id=104
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HN) 2.918 1.022 1.022 ! spec=Noesy-H2O, no=250, id=105
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name   HN) 2.744 0.904 0.904 ! spec=Noesy-H2O, no=251, id=106
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HN) 2.768 0.919 0.919 ! spec=Noesy-H2O, no=252, id=107
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   46 and name   HN) 2.808 0.946 0.946 ! spec=Noesy-H2O, no=253, id=108
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name   HA) 2.784 0.930 0.930 ! spec=Noesy-H2O, no=254, id=109
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   23 and name   HA) 2.883 0.997 0.997 ! spec=Noesy-H2O, no=255, id=110
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HA) 2.694 0.871 0.871 ! spec=Noesy-H2O, no=256, id=111
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HB) 2.588 0.804 0.804 ! spec=Noesy-H2O, no=257, id=112
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name HG22) 2.759 0.914 0.914 ! spec=Noesy-H2O, no=259, id=114
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   23 and name HG12) (segid "    " and resid   23 and name   HA) 2.599 0.811 0.811 ! spec=Noesy-H2O, no=260, id=115
    or (segid "    " and resid   23 and name HG11) (segid "    " and resid   23 and name   HA)
    or (segid "    " and resid   23 and name HG13) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid   23 and name HG12) (segid "    " and resid   23 and name   HB) 2.344 0.659 0.659 ! spec=Noesy-H2O, no=261, id=116
    or (segid "    " and resid   23 and name HG11) (segid "    " and resid   23 and name   HB)
    or (segid "    " and resid   23 and name HG13) (segid "    " and resid   23 and name   HB)
assign (segid "    " and resid   23 and name HG22) (segid "    " and resid   23 and name   HA) 2.397 0.690 0.690 ! spec=Noesy-H2O, no=262, id=117
    or (segid "    " and resid   23 and name HG21) (segid "    " and resid   23 and name   HA)
    or (segid "    " and resid   23 and name HG23) (segid "    " and resid   23 and name   HA)
assign (segid "    " and resid   23 and name HG22) (segid "    " and resid   23 and name   HB) 2.305 0.638 0.638 ! spec=Noesy-H2O, no=263, id=118
    or (segid "    " and resid   23 and name HG21) (segid "    " and resid   23 and name   HB)
    or (segid "    " and resid   23 and name HG23) (segid "    " and resid   23 and name   HB)
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 2.951 1.045 1.045 ! spec=Noesy-H2O, no=265, id=120
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HA) 2.984 1.069 1.069 ! spec=Noesy-H2O, no=266, id=121
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB2) 3.169 1.205 1.205 ! spec=Noesy-H2O, no=267, id=122
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2) 3.389 1.378 1.378 ! spec=Noesy-H2O, no=269, id=123
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 2.773 0.923 0.923 ! spec=Noesy-H2O, no=271, id=125
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name   HN) 3.362 1.357 1.357 ! spec=Noesy-H2O, no=274, id=126
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 2.298 0.634 0.634 ! spec=Noesy-H2O, no=275, id=127
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name   HA) 2.982 1.067 1.067 ! spec=Noesy-H2O, no=276, id=128
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HB) 2.446 0.718 0.718 ! spec=Noesy-H2O, no=277, id=129
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.426 0.706 0.706 ! spec=Noesy-H2O, no=279, id=131
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 2.416 0.701 0.701 ! spec=Noesy-H2O, no=280, id=132
assign (segid "    " and resid   27 and name HD21) (segid "    " and resid   27 and name   HA) 3.143 1.186 1.186 ! spec=Noesy-H2O, no=281, id=133
assign (segid "    " and resid   27 and name HD22) (segid "    " and resid   27 and name   HA) 3.281 1.292 1.292 ! spec=Noesy-H2O, no=282, id=134
assign (segid "    " and resid   27 and name HD21) (segid "    " and resid   27 and name  HB2) 2.707 0.879 0.879 ! spec=Noesy-H2O, no=283, id=135
assign (segid "    " and resid   27 and name HD21) (segid "    " and resid   27 and name  HB1) 2.746 0.905 0.905 ! spec=Noesy-H2O, no=284, id=136
assign (segid "    " and resid   27 and name HD22) (segid "    " and resid   27 and name  HB2) 3.050 1.116 1.116 ! spec=Noesy-H2O, no=285, id=137
assign (segid "    " and resid   27 and name HD22) (segid "    " and resid   27 and name  HB1) 2.971 1.059 1.059 ! spec=Noesy-H2O, no=286, id=138
assign (segid "    " and resid   27 and name HD21) (segid "    " and resid   27 and name HD22) 1.982 0.471 0.471 ! spec=Noesy-H2O, no=287, id=139
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB2) 2.809 0.947 0.947 ! spec=Noesy-H2O, no=288, id=140
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HB1) 2.667 0.854 0.854 ! spec=Noesy-H2O, no=289, id=141
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB2) 3.350 1.346 1.346 ! spec=Noesy-H2O, no=290, id=142
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB1) 3.251 1.268 1.268 ! spec=Noesy-H2O, no=291, id=143
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HN) 2.742 0.902 0.902 ! spec=Noesy-H2O, no=292, id=144
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HN) 2.852 0.976 0.976 ! spec=Noesy-H2O, no=293, id=145
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HA) 2.530 0.768 0.768 ! spec=Noesy-H2O, no=294, id=146
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.593 0.807 0.807 ! spec=Noesy-H2O, no=295, id=147
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HB2) 2.656 0.846 0.846 ! spec=Noesy-H2O, no=296, id=148
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HB1) 2.838 0.967 0.967 ! spec=Noesy-H2O, no=297, id=149
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HB2) 3.020 1.095 1.095 ! spec=Noesy-H2O, no=298, id=150
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HB1) 2.918 1.022 1.022 ! spec=Noesy-H2O, no=299, id=151
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HA) 2.688 0.867 0.867 ! spec=Noesy-H2O, no=300, id=152
assign (segid "    " and resid   45 and name  HB1) (segid "    " and resid   45 and name   HA) 2.574 0.795 0.795 ! spec=Noesy-H2O, no=301, id=153
assign (segid "    " and resid   45 and name  HB1) (segid "    " and resid   45 and name  HB2) 2.316 0.644 0.644 ! spec=Noesy-H2O, no=302, id=154
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name   HA) 2.788 0.933 0.933 ! spec=Noesy-H2O, no=303, id=155
assign (segid "    " and resid   44 and name HE21) (segid "    " and resid   44 and name  HG2) 2.918 1.022 1.022 ! spec=Noesy-H2O, no=306, id=156
assign (segid "    " and resid   44 and name HE21) (segid "    " and resid   44 and name HE22) 1.793 0.386 0.386 ! spec=Noesy-H2O, no=307, id=157
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 3.045 1.113 1.113 ! spec=Noesy-H2O, no=308, id=158
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HB2) 3.041 1.110 1.110 ! spec=Noesy-H2O, no=310, id=159
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HB1) 3.086 1.143 1.143 ! spec=Noesy-H2O, no=311, id=160
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB2) 2.938 1.036 1.036 ! spec=Noesy-H2O, no=312, id=161
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB1) 2.933 1.032 1.032 ! spec=Noesy-H2O, no=313, id=162
assign (segid "    " and resid   43 and name  HB1) (segid "    " and resid   43 and name   HA) 3.028 1.100 1.100 ! spec=Noesy-H2O, no=314, id=163
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name   HA) 3.103 1.155 1.155 ! spec=Noesy-H2O, no=316, id=165
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name   HA) 2.787 0.932 0.932 ! spec=Noesy-H2O, no=318, id=166
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HA) 2.999 1.079 1.079 ! spec=Noesy-H2O, no=319, id=167
assign (segid "    " and resid   47 and name HG12) (segid "    " and resid   47 and name   HA) 2.257 0.612 0.612 ! spec=Noesy-H2O, no=320, id=168
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   47 and name   HA)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   47 and name   HA)
assign (segid "    " and resid   47 and name HG22) (segid "    " and resid   47 and name   HA) 2.331 0.652 0.652 ! spec=Noesy-H2O, no=321, id=169
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   47 and name   HA)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   47 and name   HA)
assign (segid "    " and resid   47 and name HG22) (segid "    " and resid   47 and name   HB) 2.279 0.623 0.623 ! spec=Noesy-H2O, no=322, id=170
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   47 and name   HB)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   47 and name   HB)
assign (segid "    " and resid   47 and name HG12) (segid "    " and resid   47 and name   HB) 2.275 0.621 0.621 ! spec=Noesy-H2O, no=324, id=171
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   47 and name   HB)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   47 and name   HB)
assign (segid "    " and resid   47 and name   HB) (segid "    " and resid   47 and name   HA) 2.304 0.637 0.637 ! spec=Noesy-H2O, no=325, id=172
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name   HA) 2.897 1.007 1.007 ! spec=Noesy-H2O, no=326, id=173
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name   HB) 2.575 0.796 0.796 ! spec=Noesy-H2O, no=327, id=174
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name HG22) 2.633 0.832 0.832 ! spec=Noesy-H2O, no=329, id=176
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HA) 2.767 0.919 0.919 ! spec=Noesy-H2O, no=330, id=177
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HB) 2.744 0.904 0.904 ! spec=Noesy-H2O, no=331, id=178
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HA) 2.327 0.650 0.650 ! spec=Noesy-H2O, no=334, id=181
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HA) 2.419 0.702 0.702 ! spec=Noesy-H2O, no=335, id=182
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 3.346 1.343 1.343 ! spec=Noesy-H2O, no=338, id=183
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   43 and name   HN) 2.823 0.957 0.957 ! spec=Noesy-H2O, no=339, id=184
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   30 and name   HA) 3.118 1.166 1.166 ! spec=Noesy-H2O, no=340, id=185
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   30 and name  HB2) 2.624 0.826 0.826 ! spec=Noesy-H2O, no=341, id=186
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   30 and name  HB1) 2.480 0.738 0.738 ! spec=Noesy-H2O, no=342, id=187
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   30 and name  HD1) 2.056 0.507 0.507 ! spec=Noesy-H2O, no=343, id=188
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HD1) 3.373 1.365 1.365 ! spec=Noesy-H2O, no=344, id=189
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.637 0.834 0.834 ! spec=Noesy-H2O, no=347, id=191
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HA) 3.029 1.101 1.101 ! spec=Noesy-H2O, no=348, id=192
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name   HA) 2.841 0.968 0.968 ! spec=Noesy-H2O, no=349, id=193
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HA) 2.645 0.840 0.840 ! spec=Noesy-H2O, no=350, id=194
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB2) 2.685 0.865 0.865 ! spec=Noesy-H2O, no=352, id=196
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB1) 2.617 0.822 0.822 ! spec=Noesy-H2O, no=353, id=197
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB2) 3.111 1.162 1.162 ! spec=Noesy-H2O, no=354, id=198
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB1) 3.002 1.081 1.081 ! spec=Noesy-H2O, no=355, id=199
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name   HA) 2.270 0.618 0.618 ! spec=Noesy-H2O, no=356, id=200
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name  HB2) 2.628 0.829 0.829 ! spec=Noesy-H2O, no=357, id=201
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   17 and name  HB1) 2.520 0.762 0.762 ! spec=Noesy-H2O, no=358, id=202
assign (segid "    " and resid   17 and name  HE1) (segid "    " and resid   17 and name  HD1) 1.913 0.439 0.439 ! spec=Noesy-H2O, no=359, id=203
assign (segid "    " and resid   17 and name  HE1) (segid "    " and resid   17 and name  HZ2) 2.138 0.548 0.548 ! spec=Noesy-H2O, no=360, id=204
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   17 and name  HZ3) 2.043 0.501 0.501 ! spec=Noesy-H2O, no=364, id=207
assign (segid "    " and resid   17 and name  HZ2) (segid "    " and resid   17 and name  HH2) 1.748 0.367 0.367 ! spec=Noesy-H2O, no=368, id=210
assign (segid "    " and resid   17 and name  HH2) (segid "    " and resid   17 and name  HZ3) 1.858 0.414 0.414 ! spec=Noesy-H2O, no=371, id=212
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   17 and name  HB2) 2.713 0.883 0.883 ! spec=Noesy-H2O, no=374, id=214
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   17 and name  HB1) 2.591 0.806 0.806 ! spec=Noesy-H2O, no=375, id=215
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HE3) 2.847 0.973 0.973 ! spec=Noesy-H2O, no=376, id=216
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 2.844 0.971 0.971 ! spec=Noesy-H2O, no=377, id=217
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   15 and name  HD1) 2.079 0.518 0.518 ! spec=Noesy-H2O, no=378, id=218
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   15 and name  HD2)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   15 and name  HD1)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   15 and name  HD2)
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HD1) 3.027 1.100 1.100 ! spec=Noesy-H2O, no=381, id=221
    or (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HD2)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HD1) 2.686 0.866 0.866 ! spec=Noesy-H2O, no=384, id=224
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HD2)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB2) 2.470 0.732 0.732 ! spec=Noesy-H2O, no=385, id=225
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name  HB1) 2.235 0.599 0.599 ! spec=Noesy-H2O, no=386, id=226
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name   HA) 2.251 0.608 0.608 ! spec=Noesy-H2O, no=387, id=227
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name   HA)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name  HB2) 2.366 0.671 0.671 ! spec=Noesy-H2O, no=388, id=228
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name  HB2)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name  HB1) 2.480 0.738 0.738 ! spec=Noesy-H2O, no=389, id=229
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name  HB1)
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name   HA) 2.482 0.739 0.739 ! spec=Noesy-H2O, no=395, id=235
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name   HA) 2.680 0.862 0.862 ! spec=Noesy-H2O, no=396, id=236
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name  HB2) 2.359 0.668 0.668 ! spec=Noesy-H2O, no=397, id=237
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   45 and name   HA) 2.894 1.005 1.005 ! spec=Noesy-H2O, no=398, id=238
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   45 and name   HA) 2.976 1.063 1.063 ! spec=Noesy-H2O, no=399, id=239
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   45 and name   HA) 3.059 1.123 1.123 ! spec=Noesy-H2O, no=400, id=240
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HE1) 1.976 0.469 0.469 ! spec=Noesy-H2O, no=402, id=242
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HE2)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HE1)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HE2)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name   HA) 2.478 0.737 0.737 ! spec=Noesy-H2O, no=403, id=243
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name   HA)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HB2) 2.667 0.854 0.854 ! spec=Noesy-H2O, no=404, id=244
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HB1) 2.597 0.810 0.810 ! spec=Noesy-H2O, no=405, id=245
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HB1)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   43 and name  HB1) 3.333 1.333 1.333 ! spec=Noesy-H2O, no=410, id=249
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   43 and name  HB1)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HD1) 3.095 1.149 1.149 ! spec=Noesy-H2O, no=412, id=250
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HD2)
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HB2) 2.897 1.007 1.007 ! spec=Noesy-H2O, no=413, id=251
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name  HB1) 3.286 1.296 1.296 ! spec=Noesy-H2O, no=414, id=252
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB2) 2.481 0.739 0.739 ! spec=Noesy-H2O, no=415, id=253
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name  HB1) 2.989 1.072 1.072 ! spec=Noesy-H2O, no=417, id=254
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   46 and name  HB1)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name  HB2) 2.883 0.997 0.997 ! spec=Noesy-H2O, no=418, id=255
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   46 and name  HB2)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name   HA) 2.724 0.891 0.891 ! spec=Noesy-H2O, no=419, id=256
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   46 and name   HA)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HB2) 3.575 1.534 1.534 ! spec=Noesy-H2O, no=422, id=259
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   46 and name  HB2)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HB1) 3.350 1.346 1.346 ! spec=Noesy-H2O, no=423, id=260
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   46 and name  HB1)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HD1) 2.276 0.622 0.622 ! spec=Noesy-H2O, no=424, id=261
    or (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HD2)
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   46 and name  HD1)
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   46 and name  HD2)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HE2) 3.006 1.084 1.084 ! spec=Noesy-H2O, no=425, id=262
    or (segid "    " and resid   46 and name  HE1) (segid "    " and resid   46 and name  HE2)
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HA) 3.089 1.145 1.145 ! spec=Noesy-H2O, no=426, id=263
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   46 and name   HA) 3.167 1.204 1.204 ! spec=Noesy-H2O, no=427, id=264
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   59 and name  HB2) 2.553 0.782 0.782 ! spec=Noesy-H2O, no=443, id=266
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   59 and name  HB2)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   59 and name  HB1) 2.566 0.790 0.790 ! spec=Noesy-H2O, no=444, id=267
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   59 and name   HA) 2.533 0.770 0.770 ! spec=Noesy-H2O, no=445, id=268
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   59 and name   HA)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HA) 2.836 0.965 0.965 ! spec=Noesy-H2O, no=446, id=269
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.789 0.933 0.933 ! spec=Noesy-H2O, no=447, id=270
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB1) 2.793 0.936 0.936 ! spec=Noesy-H2O, no=448, id=271
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HA) 2.871 0.989 0.989 ! spec=Noesy-H2O, no=449, id=272
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB2) 3.243 1.262 1.262 ! spec=Noesy-H2O, no=450, id=273
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB1) 2.889 1.002 1.002 ! spec=Noesy-H2O, no=451, id=274
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name   HA) 3.353 1.349 1.349 ! spec=Noesy-H2O, no=454, id=277
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name   HA) 2.823 0.957 0.957 ! spec=Noesy-H2O, no=455, id=278
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HN) 2.601 0.812 0.812 ! spec=Noesy-H2O, no=457, id=280
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 2.568 0.791 0.791 ! spec=Noesy-H2O, no=462, id=281
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HB) 2.462 0.727 0.727 ! spec=Noesy-H2O, no=463, id=282
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HG22) 2.880 0.995 0.995 ! spec=Noesy-H2O, no=465, id=284
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HG21)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HG23)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HB) 2.665 0.852 0.852 ! spec=Noesy-H2O, no=466, id=285
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HG12) 2.907 1.014 1.014 ! spec=Noesy-H2O, no=468, id=287
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HG11)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HG13)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HA) 2.810 0.948 0.948 ! spec=Noesy-H2O, no=469, id=288
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.601 0.812 0.812 ! spec=Noesy-H2O, no=470, id=289
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.709 0.881 0.881 ! spec=Noesy-H2O, no=471, id=290
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB1) 2.638 0.835 0.835 ! spec=Noesy-H2O, no=472, id=291
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB1) 3.012 1.088 1.088 ! spec=Noesy-H2O, no=473, id=292
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB2) 3.059 1.123 1.123 ! spec=Noesy-H2O, no=474, id=293
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HA) 2.706 0.879 0.879 ! spec=Noesy-H2O, no=475, id=294
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.613 0.819 0.819 ! spec=Noesy-H2O, no=478, id=295
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name  HB2) 2.347 0.661 0.661 ! spec=Noesy-H2O, no=481, id=296
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB2) 3.183 1.216 1.216 ! spec=Noesy-H2O, no=482, id=297
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.504 0.752 0.752 ! spec=Noesy-H2O, no=483, id=298
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD2) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=484, id=299
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HD1) 3.275 1.287 1.287 ! spec=Noesy-H2O, no=485, id=300
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name   HA) 2.572 0.794 0.794 ! spec=Noesy-H2O, no=486, id=301
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD2) 2.949 1.044 1.044 ! spec=Noesy-H2O, no=487, id=302
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HD1) 2.830 0.961 0.961 ! spec=Noesy-H2O, no=488, id=303
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HD2) 2.068 0.513 0.513 ! spec=Noesy-H2O, no=489, id=304
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HG2) 2.663 0.851 0.851 ! spec=Noesy-H2O, no=490, id=305
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HG2) 2.800 0.941 0.941 ! spec=Noesy-H2O, no=491, id=306
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 3.098 1.152 1.152 ! spec=Noesy-H2O, no=492, id=307
assign (segid "    " and resid   22 and name   HB) (segid "    " and resid   22 and name   HA) 2.381 0.680 0.680 ! spec=Noesy-H2O, no=493, id=308
assign (segid "    " and resid   22 and name HG12) (segid "    " and resid   22 and name   HA) 2.704 0.877 0.877 ! spec=Noesy-H2O, no=494, id=309
assign (segid "    " and resid   22 and name HG22) (segid "    " and resid   22 and name   HA) 2.121 0.540 0.540 ! spec=Noesy-H2O, no=495, id=310
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   22 and name   HA)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name   HA) 2.290 0.629 0.629 ! spec=Noesy-H2O, no=496, id=311
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name   HA)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name   HA)
assign (segid "    " and resid   22 and name HG12) (segid "    " and resid   22 and name   HB) 2.540 0.774 0.774 ! spec=Noesy-H2O, no=498, id=312
assign (segid "    " and resid   22 and name HG22) (segid "    " and resid   22 and name   HB) 2.125 0.542 0.542 ! spec=Noesy-H2O, no=499, id=313
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   22 and name   HB)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   22 and name   HB)
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name HG22) 1.924 0.444 0.444 ! spec=Noesy-H2O, no=501, id=315
    or (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name HG21)
    or (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name HG23)
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name HG22)
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name HG21)
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name HG23)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name HG22)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name HG21)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name HG23)
assign (segid "    " and resid   22 and name HG11) (segid "    " and resid   22 and name   HB) 2.549 0.780 0.780 ! spec=Noesy-H2O, no=507, id=318
assign (segid "    " and resid   22 and name HG11) (segid "    " and resid   22 and name HG12) 6.369 4.867 4.867 ! spec=Noesy-H2O, no=508, id=319
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name HG12) 2.229 0.596 0.596 ! spec=Noesy-H2O, no=510, id=321
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name HG12)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name HG12)
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   22 and name HG11) 2.281 0.625 0.625 ! spec=Noesy-H2O, no=513, id=322
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   22 and name HG11)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   22 and name HG11)
assign (segid "    " and resid   22 and name HG22) (segid "    " and resid   22 and name HG11) 2.303 0.636 0.636 ! spec=Noesy-H2O, no=514, id=323
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   22 and name HG11)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   22 and name HG11)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name HG11) 2.928 1.029 1.029 ! spec=Noesy-H2O, no=515, id=324
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name HG12) 2.498 0.749 0.749 ! spec=Noesy-H2O, no=516, id=325
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name   HA) 3.174 1.209 1.209 ! spec=Noesy-H2O, no=517, id=326
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG12) 3.367 1.360 1.360 ! spec=Noesy-H2O, no=519, id=327
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG11)
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG13)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HG22) 2.801 0.941 0.941 ! spec=Noesy-H2O, no=520, id=328
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HG21)
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HG23)
assign (segid "    " and resid   22 and name HG11) (segid "    " and resid   22 and name   HA) 2.646 0.840 0.840 ! spec=Noesy-H2O, no=521, id=329
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name   HA) 2.778 0.926 0.926 ! spec=Noesy-H2O, no=522, id=330
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 2.744 0.904 0.904 ! spec=Noesy-H2O, no=523, id=331
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB2) 2.844 0.971 0.971 ! spec=Noesy-H2O, no=525, id=333
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB1) 2.782 0.928 0.928 ! spec=Noesy-H2O, no=526, id=334
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HA) 2.840 0.968 0.968 ! spec=Noesy-H2O, no=527, id=335
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 3.347 1.345 1.345 ! spec=Noesy-H2O, no=528, id=336
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 3.395 1.383 1.383 ! spec=Noesy-H2O, no=529, id=337
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HA) 2.935 1.034 1.034 ! spec=Noesy-H2O, no=530, id=338
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB2) 2.944 1.040 1.040 ! spec=Noesy-H2O, no=531, id=339
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HG1) 2.838 0.967 0.967 ! spec=Noesy-H2O, no=533, id=340
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB2) 3.015 1.091 1.091 ! spec=Noesy-H2O, no=536, id=342
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HG1) 2.838 0.967 0.967 ! spec=Noesy-H2O, no=537, id=343
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HG2) 3.280 1.291 1.291 ! spec=Noesy-H2O, no=538, id=344
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name   HA) 2.874 0.991 0.991 ! spec=Noesy-H2O, no=540, id=345
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   44 and name   HA) 2.812 0.949 0.949 ! spec=Noesy-H2O, no=541, id=346
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name   HA) 2.682 0.863 0.863 ! spec=Noesy-H2O, no=542, id=347
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name   HA) 2.769 0.920 0.920 ! spec=Noesy-H2O, no=543, id=348
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name  HB2) 3.017 1.092 1.092 ! spec=Noesy-H2O, no=544, id=349
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name  HB1) 2.733 0.896 0.896 ! spec=Noesy-H2O, no=546, id=350
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HA) 3.050 1.116 1.116 ! spec=Noesy-H2O, no=547, id=351
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HA) 2.863 0.983 0.983 ! spec=Noesy-H2O, no=548, id=352
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HA) 3.213 1.239 1.239 ! spec=Noesy-H2O, no=549, id=353
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name  HB2) 2.761 0.915 0.915 ! spec=Noesy-H2O, no=550, id=354
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name  HB1) 2.921 1.024 1.024 ! spec=Noesy-H2O, no=552, id=355
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB2) 2.526 0.766 0.766 ! spec=Noesy-H2O, no=553, id=356
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name  HB2) 2.647 0.841 0.841 ! spec=Noesy-H2O, no=554, id=357
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name  HB1) 2.908 1.015 1.015 ! spec=Noesy-H2O, no=555, id=358
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HA) 3.306 1.311 1.311 ! spec=Noesy-H2O, no=557, id=359
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name   HA) 2.508 0.755 0.755 ! spec=Noesy-H2O, no=558, id=360
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HG2) 2.892 1.003 1.003 ! spec=Noesy-H2O, no=559, id=361
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HB2) 2.350 0.663 0.663 ! spec=Noesy-H2O, no=560, id=362
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name   HA) 2.957 1.050 1.050 ! spec=Noesy-H2O, no=562, id=363
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HA) 2.648 0.842 0.842 ! spec=Noesy-H2O, no=563, id=364
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name   HA) 2.642 0.838 0.838 ! spec=Noesy-H2O, no=565, id=365
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HA) 2.616 0.821 0.821 ! spec=Noesy-H2O, no=566, id=366
assign (segid "    " and resid   58 and name   HG) (segid "    " and resid   58 and name   HA) 2.718 0.887 0.887 ! spec=Noesy-H2O, no=567, id=367
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   58 and name   HA) 2.653 0.845 0.845 ! spec=Noesy-H2O, no=568, id=368
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   58 and name   HA)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   58 and name   HA)
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.637 0.835 0.835 ! spec=Noesy-H2O, no=571, id=370
assign (segid "    " and resid   58 and name   HG) (segid "    " and resid   58 and name  HB2) 2.318 0.645 0.645 ! spec=Noesy-H2O, no=573, id=372
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   58 and name  HB2) 2.836 0.965 0.965 ! spec=Noesy-H2O, no=574, id=373
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   58 and name  HB2)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   58 and name  HB2)
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   58 and name  HB2) 2.787 0.932 0.932 ! spec=Noesy-H2O, no=575, id=374
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   58 and name  HB2)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   58 and name  HB2)
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HG) 2.523 0.764 0.764 ! spec=Noesy-H2O, no=577, id=375
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB1) 2.709 0.880 0.880 ! spec=Noesy-H2O, no=580, id=378
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   58 and name   HG) 2.198 0.580 0.580 ! spec=Noesy-H2O, no=583, id=380
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   58 and name   HG)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   58 and name   HG)
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   58 and name   HG) 2.132 0.546 0.546 ! spec=Noesy-H2O, no=584, id=381
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   58 and name   HG)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   58 and name   HG)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name HD22) 3.262 1.277 1.277 ! spec=Noesy-H2O, no=587, id=384
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name HD23)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HG) 2.876 0.993 0.993 ! spec=Noesy-H2O, no=588, id=385
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB1) 3.420 1.403 1.403 ! spec=Noesy-H2O, no=589, id=386
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB2) 3.185 1.217 1.217 ! spec=Noesy-H2O, no=590, id=387
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HA) 3.220 1.244 1.244 ! spec=Noesy-H2O, no=591, id=388
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name   HA) 2.527 0.766 0.766 ! spec=Noesy-H2O, no=592, id=389
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HA) 2.827 0.959 0.959 ! spec=Noesy-H2O, no=593, id=390
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HA) 3.123 1.171 1.171 ! spec=Noesy-H2O, no=594, id=391
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD22) 2.658 0.848 0.848 ! spec=Noesy-H2O, no=596, id=393
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD21)
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD23)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name  HB1) 2.944 1.040 1.040 ! spec=Noesy-H2O, no=597, id=394
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name  HB2) 2.581 0.799 0.799 ! spec=Noesy-H2O, no=598, id=395
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HG) 3.254 1.271 1.271 ! spec=Noesy-H2O, no=600, id=397
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name  HB1) 3.420 1.404 1.404 ! spec=Noesy-H2O, no=601, id=398
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name  HB2) 2.854 0.978 0.978 ! spec=Noesy-H2O, no=602, id=399
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD22) 3.377 1.369 1.369 ! spec=Noesy-H2O, no=604, id=401
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD21)
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD23)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HB2) 2.631 0.831 0.831 ! spec=Noesy-H2O, no=605, id=402
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HG1) 2.823 0.956 0.956 ! spec=Noesy-H2O, no=606, id=403
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HG2) 2.620 0.824 0.824 ! spec=Noesy-H2O, no=607, id=404
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   61 and name   HA) 2.959 1.051 1.051 ! spec=Noesy-H2O, no=609, id=405
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   61 and name   HA) 2.626 0.828 0.828 ! spec=Noesy-H2O, no=610, id=406
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   61 and name   HA) 2.882 0.997 0.997 ! spec=Noesy-H2O, no=611, id=407
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   61 and name  HG2) 2.139 0.549 0.549 ! spec=Noesy-H2O, no=614, id=408
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   61 and name  HG2) 2.422 0.704 0.704 ! spec=Noesy-H2O, no=615, id=409
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name   HA) 3.127 1.174 1.174 ! spec=Noesy-H2O, no=617, id=411
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   62 and name   HA) 2.816 0.952 0.952 ! spec=Noesy-H2O, no=621, id=412
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   62 and name   HA) 2.663 0.851 0.851 ! spec=Noesy-H2O, no=622, id=413
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   62 and name  HB2) 2.360 0.668 0.668 ! spec=Noesy-H2O, no=623, id=414
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB2) 2.596 0.809 0.809 ! spec=Noesy-H2O, no=624, id=415
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB1) 2.608 0.816 0.816 ! spec=Noesy-H2O, no=625, id=416
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HB1) 2.742 0.902 0.902 ! spec=Noesy-H2O, no=626, id=417
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HB2) 3.219 1.243 1.243 ! spec=Noesy-H2O, no=627, id=418
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name   HA) 2.976 1.063 1.063 ! spec=Noesy-H2O, no=628, id=419
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HA) 2.715 0.884 0.884 ! spec=Noesy-H2O, no=629, id=420
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name   HB) 2.469 0.731 0.731 ! spec=Noesy-H2O, no=630, id=421
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   63 and name   HA) 2.645 0.840 0.840 ! spec=Noesy-H2O, no=635, id=424
assign (segid "    " and resid   63 and name HD12) (segid "    " and resid   63 and name   HA) 2.305 0.638 0.638 ! spec=Noesy-H2O, no=637, id=425
    or (segid "    " and resid   63 and name HD11) (segid "    " and resid   63 and name   HA)
    or (segid "    " and resid   63 and name HD13) (segid "    " and resid   63 and name   HA)
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HA) 2.274 0.621 0.621 ! spec=Noesy-H2O, no=638, id=426
    or (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HA)
    or (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HA)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HA) 2.574 0.795 0.795 ! spec=Noesy-H2O, no=639, id=427
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 2.450 0.720 0.720 ! spec=Noesy-H2O, no=640, id=428
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name   HA) 2.611 0.818 0.818 ! spec=Noesy-H2O, no=641, id=429
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name   HA) 2.488 0.743 0.743 ! spec=Noesy-H2O, no=642, id=430
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name  HB2) 2.203 0.582 0.582 ! spec=Noesy-H2O, no=643, id=431
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB2) 2.641 0.837 0.837 ! spec=Noesy-H2O, no=644, id=432
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB1) 2.457 0.724 0.724 ! spec=Noesy-H2O, no=645, id=433
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name  HB1) 2.800 0.940 0.940 ! spec=Noesy-H2O, no=646, id=434
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name  HB2) 3.316 1.320 1.320 ! spec=Noesy-H2O, no=647, id=435
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name   HA) 2.408 0.696 0.696 ! spec=Noesy-H2O, no=648, id=436
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   64 and name   HA) 2.907 1.014 1.014 ! spec=Noesy-H2O, no=649, id=437
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name   HA) 2.045 0.502 0.502 ! spec=Noesy-H2O, no=651, id=438
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name   HA) 2.218 0.590 0.590 ! spec=Noesy-H2O, no=652, id=439
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HB2) 2.014 0.487 0.487 ! spec=Noesy-H2O, no=655, id=440
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB2) 2.504 0.752 0.752 ! spec=Noesy-H2O, no=657, id=441
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HG1) 2.901 1.010 1.010 ! spec=Noesy-H2O, no=658, id=442
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 3.311 1.316 1.316 ! spec=Noesy-H2O, no=659, id=443
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HA) 2.569 0.792 0.792 ! spec=Noesy-H2O, no=661, id=444
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name   HA) 2.703 0.877 0.877 ! spec=Noesy-H2O, no=662, id=445
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name   HA) 2.589 0.804 0.804 ! spec=Noesy-H2O, no=663, id=446
assign (segid "    " and resid   66 and name   HG) (segid "    " and resid   66 and name   HA) 2.655 0.846 0.846 ! spec=Noesy-H2O, no=666, id=447
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name   HA) 2.470 0.732 0.732 ! spec=Noesy-H2O, no=667, id=448
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HA) 2.722 0.889 0.889 ! spec=Noesy-H2O, no=668, id=449
assign (segid "    " and resid   66 and name HD22) (segid "    " and resid   66 and name   HA) 1.926 0.445 0.445 ! spec=Noesy-H2O, no=670, id=451
    or (segid "    " and resid   66 and name HD21) (segid "    " and resid   66 and name   HA)
    or (segid "    " and resid   66 and name HD23) (segid "    " and resid   66 and name   HA)
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   66 and name   HG) 2.397 0.690 0.690 ! spec=Noesy-H2O, no=674, id=452
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   66 and name   HG)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   66 and name   HG)
assign (segid "    " and resid   66 and name HD22) (segid "    " and resid   66 and name   HG) 2.137 0.548 0.548 ! spec=Noesy-H2O, no=675, id=453
    or (segid "    " and resid   66 and name HD21) (segid "    " and resid   66 and name   HG)
    or (segid "    " and resid   66 and name HD23) (segid "    " and resid   66 and name   HG)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HG) 2.700 0.875 0.875 ! spec=Noesy-H2O, no=676, id=454
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name  HB2) 2.244 0.604 0.604 ! spec=Noesy-H2O, no=678, id=455
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   66 and name  HB2) 2.445 0.717 0.717 ! spec=Noesy-H2O, no=679, id=456
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   66 and name  HB2)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   66 and name  HB2)
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   66 and name  HB1) 2.386 0.683 0.683 ! spec=Noesy-H2O, no=681, id=458
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   66 and name  HB1)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   66 and name  HB1)
assign (segid "    " and resid   66 and name HD22) (segid "    " and resid   66 and name  HB1) 2.214 0.588 0.588 ! spec=Noesy-H2O, no=682, id=459
    or (segid "    " and resid   66 and name HD21) (segid "    " and resid   66 and name  HB1)
    or (segid "    " and resid   66 and name HD23) (segid "    " and resid   66 and name  HB1)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD12) 2.697 0.873 0.873 ! spec=Noesy-H2O, no=684, id=460
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD11)
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD13)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB1) 2.736 0.898 0.898 ! spec=Noesy-H2O, no=685, id=461
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB2) 2.662 0.851 0.851 ! spec=Noesy-H2O, no=686, id=462
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name   HG) 2.822 0.956 0.956 ! spec=Noesy-H2O, no=688, id=463
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB2) 2.939 1.037 1.037 ! spec=Noesy-H2O, no=689, id=464
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB1) 2.924 1.026 1.026 ! spec=Noesy-H2O, no=690, id=465
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name   HA) 2.587 0.803 0.803 ! spec=Noesy-H2O, no=693, id=468
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name   HA) 2.316 0.644 0.644 ! spec=Noesy-H2O, no=694, id=469
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name   HA) 2.470 0.732 0.732 ! spec=Noesy-H2O, no=695, id=470
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name  HB2) 2.069 0.514 0.514 ! spec=Noesy-H2O, no=696, id=471
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name  HB2) 2.771 0.921 0.921 ! spec=Noesy-H2O, no=697, id=472
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name  HB1) 2.741 0.902 0.902 ! spec=Noesy-H2O, no=698, id=473
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HB1) 3.140 1.183 1.183 ! spec=Noesy-H2O, no=699, id=474
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HB2) 3.211 1.237 1.237 ! spec=Noesy-H2O, no=700, id=475
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HA) 2.358 0.667 0.667 ! spec=Noesy-H2O, no=701, id=476
assign (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name   HA) 2.203 0.582 0.582 ! spec=Noesy-H2O, no=702, id=477
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   69 and name   HA) 2.316 0.644 0.644 ! spec=Noesy-H2O, no=703, id=478
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name   HA) 3.315 1.318 1.318 ! spec=Noesy-H2O, no=704, id=479
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB2) 2.599 0.811 0.811 ! spec=Noesy-H2O, no=705, id=480
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB1) 2.289 0.629 0.629 ! spec=Noesy-H2O, no=706, id=481
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 2.919 1.023 1.023 ! spec=Noesy-H2O, no=707, id=482
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB2) 2.914 1.019 1.019 ! spec=Noesy-H2O, no=709, id=483
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD12) 3.295 1.303 1.303 ! spec=Noesy-H2O, no=710, id=484
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD11)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD13)
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD12) 2.941 1.038 1.038 ! spec=Noesy-H2O, no=711, id=485
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD11)
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD13)
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB1) 2.909 1.015 1.015 ! spec=Noesy-H2O, no=712, id=486
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB2) 2.768 0.919 0.919 ! spec=Noesy-H2O, no=713, id=487
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name   HA) 2.317 0.644 0.644 ! spec=Noesy-H2O, no=715, id=488
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD22) 3.359 1.354 1.354 ! spec=Noesy-H2O, no=718, id=491
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HD23)
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD22) 2.834 0.964 0.964 ! spec=Noesy-H2O, no=719, id=492
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name HD23)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name   HA) 2.868 0.987 0.987 ! spec=Noesy-H2O, no=724, id=493
assign (segid "    " and resid   50 and name  HG2) (segid "    " and resid   50 and name   HA) 2.920 1.023 1.023 ! spec=Noesy-H2O, no=726, id=494
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name   HA) 2.929 1.029 1.029 ! spec=Noesy-H2O, no=727, id=495
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   50 and name   HA) 2.696 0.872 0.872 ! spec=Noesy-H2O, no=728, id=496
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HG1) 2.932 1.031 1.031 ! spec=Noesy-H2O, no=730, id=497
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 3.097 1.151 1.151 ! spec=Noesy-H2O, no=732, id=498
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   52 and name   HA) 2.273 0.620 0.620 ! spec=Noesy-H2O, no=736, id=499
    or (segid "    " and resid   52 and name HG22) (segid "    " and resid   52 and name   HA)
    or (segid "    " and resid   52 and name HG23) (segid "    " and resid   52 and name   HA)
assign (segid "    " and resid   52 and name HG21) (segid "    " and resid   52 and name   HB) 2.259 0.612 0.612 ! spec=Noesy-H2O, no=737, id=500
    or (segid "    " and resid   52 and name HG22) (segid "    " and resid   52 and name   HB)
    or (segid "    " and resid   52 and name HG23) (segid "    " and resid   52 and name   HB)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG21) 2.683 0.864 0.864 ! spec=Noesy-H2O, no=738, id=501
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name HG23)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HB) 2.729 0.893 0.893 ! spec=Noesy-H2O, no=739, id=502
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 2.632 0.831 0.831 ! spec=Noesy-H2O, no=740, id=503
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HA) 2.875 0.992 0.992 ! spec=Noesy-H2O, no=741, id=504
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HB2) 3.300 1.307 1.307 ! spec=Noesy-H2O, no=742, id=505
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HB2) 2.672 0.857 0.857 ! spec=Noesy-H2O, no=748, id=506
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HG2) 2.983 1.068 1.068 ! spec=Noesy-H2O, no=751, id=507
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB2) 2.604 0.814 0.814 ! spec=Noesy-H2O, no=752, id=508
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HG2) 3.217 1.242 1.242 ! spec=Noesy-H2O, no=753, id=509
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB2) 3.140 1.183 1.183 ! spec=Noesy-H2O, no=754, id=510
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HG2) 2.916 1.021 1.021 ! spec=Noesy-H2O, no=755, id=511
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB2) 2.950 1.044 1.044 ! spec=Noesy-H2O, no=756, id=512
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB1) 2.824 0.957 0.957 ! spec=Noesy-H2O, no=757, id=513
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HG2) 3.150 1.191 1.191 ! spec=Noesy-H2O, no=758, id=514
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB1) 3.033 1.104 1.104 ! spec=Noesy-H2O, no=760, id=515
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 4.366 2.287 2.287 ! spec=Noesy-H2O, no=773, id=516
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name   HA) 2.322 0.647 0.647 ! spec=Noesy-H2O, no=774, id=517
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   33 and name   HA)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   33 and name   HA)
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name HG12) 1.965 0.464 0.464 ! spec=Noesy-H2O, no=775, id=518
    or (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name HG13)
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   33 and name HG12)
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   33 and name HG13)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   33 and name HG12)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   33 and name HG13)
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   33 and name   HB) 2.153 0.556 0.556 ! spec=Noesy-H2O, no=776, id=519
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   33 and name   HB)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   33 and name   HB)
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   33 and name   HB) 2.208 0.585 0.585 ! spec=Noesy-H2O, no=777, id=520
    or (segid "    " and resid   33 and name HG11) (segid "    " and resid   33 and name   HB)
    or (segid "    " and resid   33 and name HG13) (segid "    " and resid   33 and name   HB)
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   33 and name   HA) 2.494 0.746 0.746 ! spec=Noesy-H2O, no=778, id=521
    or (segid "    " and resid   33 and name HG11) (segid "    " and resid   33 and name   HA)
    or (segid "    " and resid   33 and name HG13) (segid "    " and resid   33 and name   HA)
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid   33 and name   HA) 2.529 0.767 0.767 ! spec=Noesy-H2O, no=779, id=522
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HB) 2.549 0.780 0.780 ! spec=Noesy-H2O, no=780, id=523
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HG22) 2.767 0.919 0.919 ! spec=Noesy-H2O, no=782, id=525
    or (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HG21)
    or (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HG23)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name HG22) 2.862 0.983 0.983 ! spec=Noesy-H2O, no=783, id=526
    or (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name HG21)
    or (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name HG23)
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   30 and name  HZ2) 2.361 0.669 0.669 ! spec=Noesy-H2O, no=786, id=528
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   33 and name   HB) 3.160 1.198 1.198 ! spec=Noesy-H2O, no=804, id=529
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   33 and name   HB)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   47 and name HG22) 2.812 0.949 0.949 ! spec=Noesy-H2O, no=806, id=531
    or (segid "    " and resid   43 and name  HE1) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   43 and name  HE1) (segid "    " and resid   47 and name HG23)
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   47 and name HG22)
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   19 and name HG22) 2.434 0.711 0.711 ! spec=Noesy-H2O, no=810, id=535
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   19 and name HG21)
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   19 and name HG23)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   19 and name HG22)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   19 and name HG21)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   19 and name HG23)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   47 and name HG22) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=811, id=536
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   47 and name HG23)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   47 and name HG22)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG22) 3.219 1.244 1.244 ! spec=Noesy-H2O, no=814, id=537
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HA) 2.839 0.967 0.967 ! spec=Noesy-H2O, no=815, id=538
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name   HA) 2.426 0.707 0.707 ! spec=Noesy-H2O, no=816, id=539
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HB2) 2.415 0.700 0.700 ! spec=Noesy-H2O, no=818, id=540
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HG2) 2.846 0.972 0.972 ! spec=Noesy-H2O, no=819, id=541
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name  HG1) 2.914 1.019 1.019 ! spec=Noesy-H2O, no=820, id=542
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   67 and name   HA) 2.501 0.750 0.750 ! spec=Noesy-H2O, no=823, id=543
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   67 and name   HA) 2.786 0.931 0.931 ! spec=Noesy-H2O, no=825, id=545
assign (segid "    " and resid   67 and name  HG1) (segid "    " and resid   67 and name   HA) 2.718 0.887 0.887 ! spec=Noesy-H2O, no=826, id=546
assign (segid "    " and resid   67 and name  HD2) (segid "    " and resid   67 and name  HE2) 2.420 0.703 0.703 ! spec=Noesy-H2O, no=831, id=547
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   67 and name  HB2) 2.437 0.713 0.713 ! spec=Noesy-H2O, no=835, id=549
assign (segid "    " and resid   67 and name  HG1) (segid "    " and resid   67 and name  HB2) 2.347 0.661 0.661 ! spec=Noesy-H2O, no=836, id=550
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   67 and name  HD2) 2.249 0.607 0.607 ! spec=Noesy-H2O, no=837, id=551
assign (segid "    " and resid   67 and name  HG1) (segid "    " and resid   67 and name  HD2) 2.736 0.898 0.898 ! spec=Noesy-H2O, no=838, id=552
assign (segid "    " and resid   67 and name  HG1) (segid "    " and resid   67 and name  HG2) 1.974 0.468 0.468 ! spec=Noesy-H2O, no=839, id=553
assign (segid "    " and resid   19 and name   HB) (segid "    " and resid   19 and name   HA) 2.832 0.962 0.962 ! spec=Noesy-H2O, no=841, id=554
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   19 and name   HA) 2.831 0.962 0.962 ! spec=Noesy-H2O, no=842, id=555
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   19 and name   HA) 2.494 0.746 0.746 ! spec=Noesy-H2O, no=843, id=556
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   19 and name   HB) 2.201 0.581 0.581 ! spec=Noesy-H2O, no=845, id=557
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   19 and name   HB)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   19 and name   HB)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   19 and name   HB) 2.313 0.642 0.642 ! spec=Noesy-H2O, no=846, id=558
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   19 and name   HB)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   19 and name   HB)
assign (segid "    " and resid    8 and name HG22) (segid "    " and resid    8 and name   HA) 2.210 0.586 0.586 ! spec=Noesy-H2O, no=848, id=559
    or (segid "    " and resid    8 and name HG21) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    8 and name HG23) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name   HB) 2.485 0.741 0.741 ! spec=Noesy-H2O, no=850, id=561
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HG12) 2.682 0.863 0.863 ! spec=Noesy-H2O, no=851, id=562
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HG22) 2.861 0.982 0.982 ! spec=Noesy-H2O, no=852, id=563
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HG21)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HG23)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HD12) 2.884 0.998 0.998 ! spec=Noesy-H2O, no=853, id=564
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HD11)
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HD13)
assign (segid "    " and resid    8 and name HG12) (segid "    " and resid    8 and name   HB) 2.140 0.550 0.550 ! spec=Noesy-H2O, no=857, id=565
assign (segid "    " and resid    8 and name HG22) (segid "    " and resid    8 and name   HB) 1.974 0.468 0.468 ! spec=Noesy-H2O, no=858, id=566
    or (segid "    " and resid    8 and name HG21) (segid "    " and resid    8 and name   HB)
    or (segid "    " and resid    8 and name HG23) (segid "    " and resid    8 and name   HB)
assign (segid "    " and resid    8 and name HD12) (segid "    " and resid    8 and name   HB) 2.269 0.618 0.618 ! spec=Noesy-H2O, no=859, id=567
    or (segid "    " and resid    8 and name HD11) (segid "    " and resid    8 and name   HB)
    or (segid "    " and resid    8 and name HD13) (segid "    " and resid    8 and name   HB)
assign (segid "    " and resid    8 and name HG22) (segid "    " and resid    8 and name HG12) 2.284 0.626 0.626 ! spec=Noesy-H2O, no=861, id=568
    or (segid "    " and resid    8 and name HG21) (segid "    " and resid    8 and name HG12)
    or (segid "    " and resid    8 and name HG23) (segid "    " and resid    8 and name HG12)
assign (segid "    " and resid    8 and name HD12) (segid "    " and resid    8 and name HG12) 2.154 0.557 0.557 ! spec=Noesy-H2O, no=862, id=569
    or (segid "    " and resid    8 and name HD11) (segid "    " and resid    8 and name HG12)
    or (segid "    " and resid    8 and name HD13) (segid "    " and resid    8 and name HG12)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HB) 2.585 0.802 0.802 ! spec=Noesy-H2O, no=863, id=570
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 3.330 1.331 1.331 ! spec=Noesy-H2O, no=866, id=573
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB1) 3.073 1.133 1.133 ! spec=Noesy-H2O, no=867, id=574
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB2) 3.258 1.273 1.273 ! spec=Noesy-H2O, no=868, id=575
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 2.649 0.842 0.842 ! spec=Noesy-H2O, no=869, id=576
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HB2) 2.661 0.850 0.850 ! spec=Noesy-H2O, no=870, id=577
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HB1) 2.616 0.821 0.821 ! spec=Noesy-H2O, no=871, id=578
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD12) 2.789 0.933 0.933 ! spec=Noesy-H2O, no=872, id=579
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD11)
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD13)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD22) 2.869 0.987 0.987 ! spec=Noesy-H2O, no=873, id=580
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD21)
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HD23)
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name   HA) 2.685 0.865 0.865 ! spec=Noesy-H2O, no=875, id=581
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HA) 2.517 0.761 0.761 ! spec=Noesy-H2O, no=876, id=582
assign (segid "    " and resid   31 and name HD12) (segid "    " and resid   31 and name   HA) 2.387 0.684 0.684 ! spec=Noesy-H2O, no=877, id=583
    or (segid "    " and resid   31 and name HD11) (segid "    " and resid   31 and name   HA)
    or (segid "    " and resid   31 and name HD13) (segid "    " and resid   31 and name   HA)
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name  HB2) 2.216 0.589 0.589 ! spec=Noesy-H2O, no=879, id=585
assign (segid "    " and resid   31 and name HD22) (segid "    " and resid   31 and name  HB2) 3.671 1.617 1.617 ! spec=Noesy-H2O, no=881, id=587
    or (segid "    " and resid   31 and name HD21) (segid "    " and resid   31 and name  HB2)
    or (segid "    " and resid   31 and name HD23) (segid "    " and resid   31 and name  HB2)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HG) 2.661 0.850 0.850 ! spec=Noesy-H2O, no=887, id=588
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 2.876 0.992 0.992 ! spec=Noesy-H2O, no=888, id=589
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name  HB2) 3.288 1.297 1.297 ! spec=Noesy-H2O, no=889, id=590
assign (segid "    " and resid   31 and name   HG) (segid "    " and resid   31 and name   HA) 2.620 0.824 0.824 ! spec=Noesy-H2O, no=891, id=591
assign (segid "    " and resid   31 and name HD12) (segid "    " and resid   31 and name   HG) 2.164 0.562 0.562 ! spec=Noesy-H2O, no=894, id=592
    or (segid "    " and resid   31 and name HD11) (segid "    " and resid   31 and name   HG)
    or (segid "    " and resid   31 and name HD13) (segid "    " and resid   31 and name   HG)
assign (segid "    " and resid   31 and name HD22) (segid "    " and resid   31 and name   HG) 2.013 0.487 0.487 ! spec=Noesy-H2O, no=895, id=593
    or (segid "    " and resid   31 and name HD21) (segid "    " and resid   31 and name   HG)
    or (segid "    " and resid   31 and name HD23) (segid "    " and resid   31 and name   HG)
assign (segid "    " and resid   31 and name HD12) (segid "    " and resid   31 and name  HB1) 2.250 0.608 0.608 ! spec=Noesy-H2O, no=896, id=594
    or (segid "    " and resid   31 and name HD11) (segid "    " and resid   31 and name  HB1)
    or (segid "    " and resid   31 and name HD13) (segid "    " and resid   31 and name  HB1)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   35 and name   HN) 2.899 1.008 1.008 ! spec=Noesy-H2O, no=900, id=596
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 2.517 0.760 0.760 ! spec=Noesy-H2O, no=901, id=597
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 2.841 0.969 0.969 ! spec=Noesy-H2O, no=902, id=598
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.512 0.757 0.757 ! spec=Noesy-H2O, no=903, id=599
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 2.960 1.052 1.052 ! spec=Noesy-H2O, no=904, id=600
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 2.808 0.946 0.946 ! spec=Noesy-H2O, no=905, id=601
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 3.347 1.345 1.345 ! spec=Noesy-H2O, no=906, id=602
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HA) 2.620 0.824 0.824 ! spec=Noesy-H2O, no=907, id=603
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name   HA) 3.179 1.213 1.213 ! spec=Noesy-H2O, no=908, id=604
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB2) 3.013 1.089 1.089 ! spec=Noesy-H2O, no=910, id=606
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HB1) 3.034 1.105 1.105 ! spec=Noesy-H2O, no=911, id=607
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name   HA) 2.202 0.582 0.582 ! spec=Noesy-H2O, no=913, id=608
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name   HA) 2.658 0.848 0.848 ! spec=Noesy-H2O, no=914, id=609
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name   HA) 2.636 0.834 0.834 ! spec=Noesy-H2O, no=915, id=610
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HD2) 2.296 0.633 0.633 ! spec=Noesy-H2O, no=916, id=611
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HD2) 2.282 0.625 0.625 ! spec=Noesy-H2O, no=917, id=612
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HD2) 2.277 0.622 0.622 ! spec=Noesy-H2O, no=918, id=613
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   35 and name   HA) 2.702 0.876 0.876 ! spec=Noesy-H2O, no=919, id=614
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HD2) 3.038 1.108 1.108 ! spec=Noesy-H2O, no=920, id=615
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB2) 2.286 0.627 0.627 ! spec=Noesy-H2O, no=921, id=616
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG1) 3.107 1.158 1.158 ! spec=Noesy-H2O, no=923, id=618
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HB2) 2.641 0.837 0.837 ! spec=Noesy-H2O, no=924, id=619
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HG2) 3.039 1.108 1.108 ! spec=Noesy-H2O, no=925, id=620
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name   HA) 2.088 0.523 0.523 ! spec=Noesy-H2O, no=926, id=621
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HA) 2.928 1.029 1.029 ! spec=Noesy-H2O, no=927, id=622
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB1) 2.689 0.868 0.868 ! spec=Noesy-H2O, no=928, id=623
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB1) 2.453 0.722 0.722 ! spec=Noesy-H2O, no=929, id=624
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   32 and name   HA) 2.159 0.559 0.559 ! spec=Noesy-H2O, no=930, id=625
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name   HA) 2.457 0.724 0.724 ! spec=Noesy-H2O, no=935, id=626
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 2.502 0.751 0.751 ! spec=Noesy-H2O, no=936, id=627
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HG2) 2.813 0.949 0.949 ! spec=Noesy-H2O, no=937, id=628
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB2) 2.990 1.073 1.073 ! spec=Noesy-H2O, no=943, id=629
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB1) 3.089 1.145 1.145 ! spec=Noesy-H2O, no=944, id=630
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HG2) 2.941 1.038 1.038 ! spec=Noesy-H2O, no=945, id=631
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name  HB1) 3.406 1.392 1.392 ! spec=Noesy-H2O, no=947, id=632
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA) 3.329 1.330 1.330 ! spec=Noesy-H2O, no=948, id=633
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB2) 2.828 0.959 0.959 ! spec=Noesy-H2O, no=953, id=634
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 2.856 0.979 0.979 ! spec=Noesy-H2O, no=954, id=635
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 2.655 0.846 0.846 ! spec=Noesy-H2O, no=955, id=636
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HA) 2.759 0.913 0.913 ! spec=Noesy-H2O, no=958, id=637
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name   HA) 3.091 1.147 1.147 ! spec=Noesy-H2O, no=959, id=638
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HB2) 3.064 1.126 1.126 ! spec=Noesy-H2O, no=963, id=639
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HB1) 3.197 1.226 1.226 ! spec=Noesy-H2O, no=964, id=640
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA) 3.006 1.084 1.084 ! spec=Noesy-H2O, no=965, id=641
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HB2) 2.746 0.905 0.905 ! spec=Noesy-H2O, no=966, id=642
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HB1) 2.947 1.042 1.042 ! spec=Noesy-H2O, no=967, id=643
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.857 0.980 0.980 ! spec=Noesy-H2O, no=968, id=644
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA) 2.533 0.770 0.770 ! spec=Noesy-H2O, no=969, id=645
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HB2) 2.401 0.692 0.692 ! spec=Noesy-H2O, no=970, id=646
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB2) 2.735 0.898 0.898 ! spec=Noesy-H2O, no=971, id=647
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB1) 2.939 1.037 1.037 ! spec=Noesy-H2O, no=972, id=648
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB2) 3.011 1.088 1.088 ! spec=Noesy-H2O, no=973, id=649
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name  HB1) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=974, id=650
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HA) 2.860 0.981 0.981 ! spec=Noesy-H2O, no=975, id=651
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 2.884 0.998 0.998 ! spec=Noesy-H2O, no=976, id=652
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid   54 and name   HA) 2.036 0.497 0.497 ! spec=Noesy-H2O, no=978, id=653
assign (segid "    " and resid   54 and name  HB1) (segid "    " and resid   54 and name   HA) 2.644 0.839 0.839 ! spec=Noesy-H2O, no=979, id=654
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   13 and name   HA) 3.134 1.179 1.179 ! spec=Noesy-H2O, no=983, id=655
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name   HA) 2.241 0.603 0.603 ! spec=Noesy-H2O, no=984, id=656
assign (segid "    " and resid   28 and name  HG2) (segid "    " and resid   28 and name   HA) 3.205 1.233 1.233 ! spec=Noesy-H2O, no=985, id=657
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name   HA) 2.789 0.933 0.933 ! spec=Noesy-H2O, no=986, id=658
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name   HA) 2.863 0.984 0.984 ! spec=Noesy-H2O, no=987, id=659
assign (segid "    " and resid   28 and name  HG1) (segid "    " and resid   28 and name   HA) 2.797 0.939 0.939 ! spec=Noesy-H2O, no=988, id=660
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HG2) 3.488 1.460 1.460 ! spec=Noesy-H2O, no=989, id=661
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HG1) 3.203 1.231 1.231 ! spec=Noesy-H2O, no=990, id=662
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB2) 2.885 0.998 0.998 ! spec=Noesy-H2O, no=991, id=663
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name  HG2) 2.713 0.883 0.883 ! spec=Noesy-H2O, no=994, id=665
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HG2) 2.698 0.874 0.874 ! spec=Noesy-H2O, no=995, id=666
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HB2) 2.230 0.597 0.597 ! spec=Noesy-H2O, no=997, id=667
assign (segid "    " and resid   28 and name  HG1) (segid "    " and resid   28 and name  HG2) 2.187 0.574 0.574 ! spec=Noesy-H2O, no=998, id=668
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name  HG1) 2.654 0.845 0.845 ! spec=Noesy-H2O, no=999, id=669
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HG1) 2.434 0.711 0.711 ! spec=Noesy-H2O, no=1000, id=670
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HG1) 2.897 1.007 1.007 ! spec=Noesy-H2O, no=1001, id=671
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.822 0.956 0.956 ! spec=Noesy-H2O, no=1002, id=672
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB1) 2.667 0.854 0.854 ! spec=Noesy-H2O, no=1003, id=673
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HG2) 2.875 0.992 0.992 ! spec=Noesy-H2O, no=1004, id=674
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HB2) 3.151 1.191 1.191 ! spec=Noesy-H2O, no=1005, id=675
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   23 and name   HA) 2.924 1.026 1.026 ! spec=Noesy-H2O, no=1006, id=676
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HA) 3.006 1.084 1.084 ! spec=Noesy-H2O, no=1008, id=677
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB2) 3.430 1.412 1.412 ! spec=Noesy-H2O, no=1009, id=678
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   24 and name  HB1) 3.185 1.217 1.217 ! spec=Noesy-H2O, no=1010, id=679
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HB1) 3.281 1.292 1.292 ! spec=Noesy-H2O, no=1011, id=680
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HB2) 3.504 1.473 1.473 ! spec=Noesy-H2O, no=1012, id=681
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB2) 3.443 1.423 1.423 ! spec=Noesy-H2O, no=1013, id=682
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB1) 3.205 1.232 1.232 ! spec=Noesy-H2O, no=1014, id=683
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name   HA) 2.811 0.949 0.949 ! spec=Noesy-H2O, no=1015, id=684
assign (segid "    " and resid   16 and name  HG2) (segid "    " and resid   16 and name   HA) 3.008 1.086 1.086 ! spec=Noesy-H2O, no=1017, id=685
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name   HA) 2.416 0.701 0.701 ! spec=Noesy-H2O, no=1018, id=686
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HA) 2.781 0.928 0.928 ! spec=Noesy-H2O, no=1019, id=687
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HG2) 2.728 0.893 0.893 ! spec=Noesy-H2O, no=1022, id=688
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name  HG2) 2.887 1.000 1.000 ! spec=Noesy-H2O, no=1023, id=689
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HG2) 2.339 0.656 0.656 ! spec=Noesy-H2O, no=1024, id=690
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB2) 2.657 0.847 0.847 ! spec=Noesy-H2O, no=1028, id=691
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HG1) 2.317 0.644 0.644 ! spec=Noesy-H2O, no=1030, id=692
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB1) 2.878 0.994 0.994 ! spec=Noesy-H2O, no=1032, id=693
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HA) 2.820 0.955 0.955 ! spec=Noesy-H2O, no=1033, id=694
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.791 0.935 0.935 ! spec=Noesy-H2O, no=1037, id=697
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.896 1.006 1.006 ! spec=Noesy-H2O, no=1038, id=698
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD12) 3.445 1.424 1.424 ! spec=Noesy-H2O, no=1039, id=699
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD11)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD13)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HG) 3.514 1.482 1.482 ! spec=Noesy-H2O, no=1040, id=700
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.767 0.918 0.918 ! spec=Noesy-H2O, no=1041, id=701
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 3.100 1.153 1.153 ! spec=Noesy-H2O, no=1043, id=702
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   18 and name   HA) 3.296 1.303 1.303 ! spec=Noesy-H2O, no=1044, id=703
assign (segid "    " and resid   18 and name HD12) (segid "    " and resid   18 and name   HA) 2.711 0.882 0.882 ! spec=Noesy-H2O, no=1045, id=704
    or (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name   HA)
    or (segid "    " and resid   18 and name HD13) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   18 and name HD12) (segid "    " and resid   18 and name  HB2) 2.512 0.757 0.757 ! spec=Noesy-H2O, no=1049, id=706
    or (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name  HB2)
    or (segid "    " and resid   18 and name HD13) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name HD12) 3.372 1.364 1.364 ! spec=Noesy-H2O, no=1051, id=707
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name HD11)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name HD13)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HG) 3.372 1.364 1.364 ! spec=Noesy-H2O, no=1052, id=708
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB1) 3.091 1.146 1.146 ! spec=Noesy-H2O, no=1053, id=709
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.912 1.017 1.017 ! spec=Noesy-H2O, no=1054, id=710
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 2.974 1.061 1.061 ! spec=Noesy-H2O, no=1055, id=711
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   15 and name   HA) 3.042 1.111 1.111 ! spec=Noesy-H2O, no=1056, id=712
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   18 and name   HA) 2.966 1.056 1.056 ! spec=Noesy-H2O, no=1057, id=713
assign (segid "    " and resid   19 and name   HB) (segid "    " and resid   16 and name   HA) 2.641 0.837 0.837 ! spec=Noesy-H2O, no=1058, id=714
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   67 and name  HE2) 2.300 0.635 0.635 ! spec=Noesy-H2O, no=1059, id=715
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name   HA) 2.849 0.974 0.974 ! spec=Noesy-H2O, no=1066, id=716
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HG1) 2.792 0.935 0.935 ! spec=Noesy-H2O, no=1068, id=717
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name  HB2) 3.106 1.158 1.158 ! spec=Noesy-H2O, no=1072, id=718
assign (segid "    " and resid   68 and name  HE1) (segid "    " and resid   68 and name  HD1) 2.783 0.930 0.930 ! spec=Noesy-H2O, no=1073, id=719
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   68 and name   HA) 2.558 0.785 0.785 ! spec=Noesy-H2O, no=1075, id=720
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   68 and name  HB2) 2.523 0.764 0.764 ! spec=Noesy-H2O, no=1076, id=721
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   68 and name  HB1) 2.551 0.781 0.781 ! spec=Noesy-H2O, no=1077, id=722
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   64 and name   HA) 2.602 0.812 0.812 ! spec=Noesy-H2O, no=1081, id=723
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HD1) 3.020 1.094 1.094 ! spec=Noesy-H2O, no=1082, id=724
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   64 and name   HA) 2.472 0.734 0.734 ! spec=Noesy-H2O, no=1084, id=725
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   64 and name  HB1) 2.436 0.712 0.712 ! spec=Noesy-H2O, no=1086, id=727
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   62 and name  HD1) 3.103 1.156 1.156 ! spec=Noesy-H2O, no=1089, id=728
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   62 and name   HA) 3.101 1.154 1.154 ! spec=Noesy-H2O, no=1090, id=729
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   62 and name  HB1) 2.742 0.902 0.902 ! spec=Noesy-H2O, no=1091, id=730
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   62 and name  HB2) 2.816 0.952 0.952 ! spec=Noesy-H2O, no=1093, id=731
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   62 and name  HB1) 3.376 1.368 1.368 ! spec=Noesy-H2O, no=1094, id=732
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   26 and name  HD1) 3.128 1.174 1.174 ! spec=Noesy-H2O, no=1095, id=733
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   12 and name   HA) 3.184 1.217 1.217 ! spec=Noesy-H2O, no=1100, id=736
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name   HA) 3.288 1.297 1.297 ! spec=Noesy-H2O, no=1101, id=737
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name  HG2) 3.029 1.101 1.101 ! spec=Noesy-H2O, no=1102, id=738
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   16 and name  HG2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   18 and name  HB2) 3.162 1.200 1.200 ! spec=Noesy-H2O, no=1103, id=739
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name  HB2) 3.263 1.277 1.277 ! spec=Noesy-H2O, no=1104, id=740
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name  HB2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name  HG1) 3.427 1.409 1.409 ! spec=Noesy-H2O, no=1105, id=741
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   16 and name  HG1)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name  HB1) 3.022 1.096 1.096 ! spec=Noesy-H2O, no=1111, id=742
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name  HB1)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name HD22) 2.937 1.035 1.035 ! spec=Noesy-H2O, no=1113, id=744
    or (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name HD23)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name HD22)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name HD23)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name HD22) 3.013 1.090 1.090 ! spec=Noesy-H2O, no=1115, id=746
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name HD23)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name HD22)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name HD23)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name  HB1) 2.611 0.818 0.818 ! spec=Noesy-H2O, no=1116, id=747
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name  HB1)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name  HB2) 2.544 0.777 0.777 ! spec=Noesy-H2O, no=1117, id=748
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name  HB2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   18 and name  HB1) 3.689 1.633 1.633 ! spec=Noesy-H2O, no=1122, id=749
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   18 and name  HB1)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   33 and name HG22) 2.776 0.925 0.925 ! spec=Noesy-H2O, no=1131, id=754
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   33 and name HG21)
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   33 and name HG23)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   33 and name HG22)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   33 and name HG21)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   33 and name HG23)
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   23 and name HG12) 2.436 0.712 0.712 ! spec=Noesy-H2O, no=1137, id=755
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   23 and name HG11)
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   23 and name HG13)
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   23 and name   HB) 2.518 0.761 0.761 ! spec=Noesy-H2O, no=1139, id=757
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   55 and name   HA) 2.956 1.049 1.049 ! spec=Noesy-H2O, no=1141, id=758
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   55 and name  HB2) 2.814 0.950 0.950 ! spec=Noesy-H2O, no=1142, id=759
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   55 and name  HB3)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   55 and name  HB2)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   12 and name   HA) 2.933 1.032 1.032 ! spec=Noesy-H2O, no=1144, id=761
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   12 and name   HA) 2.965 1.055 1.055 ! spec=Noesy-H2O, no=1145, id=762
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   12 and name   HA)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   55 and name  HB2) 2.671 0.856 0.856 ! spec=Noesy-H2O, no=1146, id=763
    or (segid "    " and resid   46 and name  HE1) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   46 and name  HE1) (segid "    " and resid   55 and name  HB3)
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   55 and name  HB2)
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   55 and name   HA) 3.086 1.143 1.143 ! spec=Noesy-H2O, no=1147, id=764
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   11 and name  HB2) 2.694 0.871 0.871 ! spec=Noesy-H2O, no=1153, id=767
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   11 and name  HB3)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   11 and name  HB2)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   12 and name  HB1) 3.024 1.098 1.098 ! spec=Noesy-H2O, no=1154, id=768
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   12 and name  HB2) 2.730 0.894 0.894 ! spec=Noesy-H2O, no=1155, id=769
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   12 and name  HB2)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   44 and name   HA) 2.699 0.874 0.874 ! spec=Noesy-H2O, no=1161, id=770
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   44 and name   HA)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   44 and name   HA) 3.003 1.082 1.082 ! spec=Noesy-H2O, no=1162, id=771
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   44 and name   HA)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   44 and name  HG2) 3.050 1.117 1.117 ! spec=Noesy-H2O, no=1163, id=772
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   44 and name  HG2)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG12) 2.452 0.722 0.722 ! spec=Noesy-H2O, no=1170, id=776
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG11)
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG13)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG12)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG11)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG13)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG22) 2.474 0.735 0.735 ! spec=Noesy-H2O, no=1171, id=777
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   23 and name HG23)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG22)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   23 and name HG22) 2.694 0.871 0.871 ! spec=Noesy-H2O, no=1176, id=780
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   23 and name HG23)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   23 and name HG22)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD22) 2.153 0.556 0.556 ! spec=Noesy-H2O, no=1177, id=781
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD21)
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD23)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD22)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD21)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD23)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name HD22) 2.512 0.757 0.757 ! spec=Noesy-H2O, no=1195, id=785
    or (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name HD23)
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name HD22)
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name HD23)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name  HB2) 3.126 1.173 1.173 ! spec=Noesy-H2O, no=1196, id=786
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   67 and name  HB2) 2.780 0.928 0.928 ! spec=Noesy-H2O, no=1203, id=791
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   67 and name  HG2) 3.410 1.395 1.395 ! spec=Noesy-H2O, no=1207, id=795
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   67 and name  HG1) 3.230 1.252 1.252 ! spec=Noesy-H2O, no=1208, id=796
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name   HA) 2.848 0.973 0.973 ! spec=Noesy-H2O, no=1211, id=798
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   67 and name   HA) 2.651 0.843 0.843 ! spec=Noesy-H2O, no=1212, id=799
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB1) 2.932 1.032 1.032 ! spec=Noesy-H2O, no=1222, id=802
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   12 and name   HA) 3.190 1.221 1.221 ! spec=Noesy-H2O, no=1223, id=803
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   12 and name   HA) 3.426 1.408 1.408 ! spec=Noesy-H2O, no=1224, id=804
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   43 and name   HA) 2.945 1.041 1.041 ! spec=Noesy-H2O, no=1226, id=805
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   43 and name   HA)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   43 and name   HA) 2.558 0.785 0.785 ! spec=Noesy-H2O, no=1227, id=806
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   43 and name   HA)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   15 and name  HE1) 2.283 0.626 0.626 ! spec=Noesy-H2O, no=1232, id=808
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   15 and name  HE2)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   15 and name  HE1)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   15 and name  HE2)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   46 and name  HD1) 3.158 1.197 1.197 ! spec=Noesy-H2O, no=1233, id=809
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   46 and name  HD2)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   46 and name  HD1)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   46 and name  HD2)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   46 and name  HD1) 3.503 1.472 1.472 ! spec=Noesy-H2O, no=1234, id=810
    or (segid "    " and resid   15 and name  HD1) (segid "    " and resid   46 and name  HD2)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   46 and name  HD1)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   46 and name  HD2)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   46 and name  HE1) 3.192 1.223 1.223 ! spec=Noesy-H2O, no=1236, id=811
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   46 and name  HE2)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   46 and name  HE1)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   46 and name  HE2)
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   41 and name   HA) 3.200 1.229 1.229 ! spec=Noesy-H2O, no=1238, id=813
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   43 and name   HA) 3.335 1.335 1.335 ! spec=Noesy-H2O, no=1242, id=814
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   18 and name   HG) 2.766 0.918 0.918 ! spec=Noesy-H2O, no=1243, id=815
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   18 and name   HG)
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   20 and name  HB1) 2.303 0.636 0.636 ! spec=Noesy-H2O, no=1248, id=817
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   20 and name  HB2) 2.601 0.812 0.812 ! spec=Noesy-H2O, no=1249, id=818
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   20 and name   HA) 2.660 0.849 0.849 ! spec=Noesy-H2O, no=1250, id=819
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD12) 3.373 1.365 1.365 ! spec=Noesy-H2O, no=1253, id=821
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD11)
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD13)
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD22) 3.411 1.396 1.396 ! spec=Noesy-H2O, no=1254, id=822
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD21)
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name HD23)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB2) 2.919 1.023 1.023 ! spec=Noesy-H2O, no=1255, id=823
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB1) 2.767 0.919 0.919 ! spec=Noesy-H2O, no=1256, id=824
assign (segid "    " and resid   25 and name HD21) (segid "    " and resid   25 and name  HB2) 2.891 1.003 1.003 ! spec=Noesy-H2O, no=1257, id=825
assign (segid "    " and resid   25 and name HD21) (segid "    " and resid   25 and name  HB1) 2.977 1.063 1.063 ! spec=Noesy-H2O, no=1258, id=826
assign (segid "    " and resid   25 and name HD22) (segid "    " and resid   25 and name  HB2) 3.020 1.094 1.094 ! spec=Noesy-H2O, no=1259, id=827
assign (segid "    " and resid   25 and name HD22) (segid "    " and resid   25 and name  HB1) 3.029 1.101 1.101 ! spec=Noesy-H2O, no=1260, id=828
assign (segid "    " and resid   25 and name HD21) (segid "    " and resid   25 and name HD22) 1.985 0.473 0.473 ! spec=Noesy-H2O, no=1264, id=830
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   29 and name HD22) 2.363 0.670 0.670 ! spec=Noesy-H2O, no=1267, id=831
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   29 and name  HB1) 3.033 1.104 1.104 ! spec=Noesy-H2O, no=1268, id=832
assign (segid "    " and resid   29 and name HD21) (segid "    " and resid   29 and name  HB2) 2.985 1.069 1.069 ! spec=Noesy-H2O, no=1269, id=833
assign (segid "    " and resid   29 and name HD22) (segid "    " and resid   29 and name  HB1) 3.072 1.133 1.133 ! spec=Noesy-H2O, no=1270, id=834
assign (segid "    " and resid   44 and name HE21) (segid "    " and resid   44 and name  HG1) 2.949 1.044 1.044 ! spec=Noesy-H2O, no=1277, id=835
assign (segid "    " and resid   61 and name HE22) (segid "    " and resid   61 and name  HG2) 2.944 1.040 1.040 ! spec=Noesy-H2O, no=1280, id=836
assign (segid "    " and resid   61 and name HE22) (segid "    " and resid   61 and name  HG1) 3.048 1.115 1.115 ! spec=Noesy-H2O, no=1281, id=837
assign (segid "    " and resid   61 and name HE21) (segid "    " and resid   61 and name  HG2) 2.960 1.051 1.051 ! spec=Noesy-H2O, no=1282, id=838
assign (segid "    " and resid   61 and name HE21) (segid "    " and resid   61 and name  HG1) 2.327 0.650 0.650 ! spec=Noesy-H2O, no=1283, id=839
assign (segid "    " and resid   61 and name HE21) (segid "    " and resid   61 and name HE22) 1.815 0.395 0.395 ! spec=Noesy-H2O, no=1284, id=840
assign (segid "    " and resid   53 and name HE22) (segid "    " and resid   53 and name  HG2) 3.583 1.540 1.540 ! spec=Noesy-H2O, no=1289, id=842
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   12 and name   HA) 3.498 1.469 1.469 ! spec=Noesy-H2O, no=1290, id=843
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   13 and name   HA) 2.634 0.832 0.832 ! spec=Noesy-H2O, no=1291, id=844
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HA) 3.134 1.179 1.179 ! spec=Noesy-H2O, no=1293, id=845
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   14 and name   HA) 2.907 1.014 1.014 ! spec=Noesy-H2O, no=1294, id=846
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   14 and name   HA) 2.991 1.073 1.073 ! spec=Noesy-H2O, no=1295, id=847
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   14 and name   HA) 2.924 1.026 1.026 ! spec=Noesy-H2O, no=1296, id=848
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name   HA) 3.236 1.256 1.256 ! spec=Noesy-H2O, no=1297, id=849
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name   HA) 3.414 1.398 1.398 ! spec=Noesy-H2O, no=1298, id=850
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   17 and name   HA) 3.211 1.237 1.237 ! spec=Noesy-H2O, no=1301, id=853
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   18 and name   HA) 8.247 8.162 8.162 ! spec=Noesy-H2O, no=1303, id=854
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name   HA) 2.624 0.826 0.826 ! spec=Noesy-H2O, no=1304, id=855
assign (segid "    " and resid   22 and name   HB) (segid "    " and resid   19 and name   HA) 2.745 0.904 0.904 ! spec=Noesy-H2O, no=1305, id=856
assign (segid "    " and resid   22 and name HG12) (segid "    " and resid   19 and name   HA) 3.003 1.082 1.082 ! spec=Noesy-H2O, no=1306, id=857
assign (segid "    " and resid   22 and name HG11) (segid "    " and resid   19 and name   HA) 3.601 1.556 1.556 ! spec=Noesy-H2O, no=1307, id=858
assign (segid "    " and resid   33 and name   HB) (segid "    " and resid   30 and name   HA) 2.860 0.982 0.982 ! spec=Noesy-H2O, no=1309, id=859
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   30 and name   HA) 2.965 1.055 1.055 ! spec=Noesy-H2O, no=1311, id=861
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   31 and name   HA) 2.887 1.000 1.000 ! spec=Noesy-H2O, no=1313, id=863
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   32 and name   HA) 2.974 1.061 1.061 ! spec=Noesy-H2O, no=1315, id=864
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   32 and name   HA) 2.779 0.927 0.927 ! spec=Noesy-H2O, no=1316, id=865
assign (segid "    " and resid   35 and name  HD2) (segid "    " and resid   32 and name   HA) 3.049 1.116 1.116 ! spec=Noesy-H2O, no=1317, id=866
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   32 and name   HA) 2.533 0.770 0.770 ! spec=Noesy-H2O, no=1318, id=867
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   33 and name   HA) 2.823 0.956 0.956 ! spec=Noesy-H2O, no=1320, id=869
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   35 and name   HA) 3.116 1.165 1.165 ! spec=Noesy-H2O, no=1325, id=870
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   42 and name   HA) 3.408 1.394 1.394 ! spec=Noesy-H2O, no=1326, id=871
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   41 and name   HA) 3.019 1.094 1.094 ! spec=Noesy-H2O, no=1327, id=872
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   42 and name   HA) 3.106 1.158 1.158 ! spec=Noesy-H2O, no=1328, id=873
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   44 and name   HA) 3.223 1.247 1.247 ! spec=Noesy-H2O, no=1330, id=874
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   46 and name   HA) 2.922 1.025 1.025 ! spec=Noesy-H2O, no=1334, id=875
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name   HA) 2.797 0.939 0.939 ! spec=Noesy-H2O, no=1335, id=876
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name   HA) 2.664 0.852 0.852 ! spec=Noesy-H2O, no=1336, id=877
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   52 and name   HA) 2.235 0.599 0.599 ! spec=Noesy-H2O, no=1337, id=878
    or (segid "    " and resid   55 and name  HB1) (segid "    " and resid   52 and name   HA)
    or (segid "    " and resid   55 and name  HB3) (segid "    " and resid   52 and name   HA)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   58 and name   HA) 2.824 0.957 0.957 ! spec=Noesy-H2O, no=1339, id=880
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   58 and name   HA) 4.376 2.298 2.298 ! spec=Noesy-H2O, no=1340, id=881
assign (segid "    " and resid   61 and name  HB1) (segid "    " and resid   58 and name   HA) 3.084 1.141 1.141 ! spec=Noesy-H2O, no=1341, id=882
assign (segid "    " and resid   61 and name  HG2) (segid "    " and resid   58 and name   HA) 3.238 1.258 1.258 ! spec=Noesy-H2O, no=1342, id=883
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   59 and name   HA) 2.912 1.017 1.017 ! spec=Noesy-H2O, no=1343, id=884
assign (segid "    " and resid   62 and name  HB1) (segid "    " and resid   59 and name   HA) 3.051 1.117 1.117 ! spec=Noesy-H2O, no=1345, id=885
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   60 and name   HA) 3.000 1.080 1.080 ! spec=Noesy-H2O, no=1346, id=886
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   60 and name   HA) 3.095 1.150 1.150 ! spec=Noesy-H2O, no=1347, id=887
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   60 and name   HA) 3.946 1.868 1.868 ! spec=Noesy-H2O, no=1348, id=888
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   61 and name   HA) 2.468 0.731 0.731 ! spec=Noesy-H2O, no=1351, id=890
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   61 and name   HA) 2.756 0.911 0.911 ! spec=Noesy-H2O, no=1352, id=891
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   61 and name   HA) 2.560 0.786 0.786 ! spec=Noesy-H2O, no=1353, id=892
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   62 and name   HA) 2.730 0.895 0.895 ! spec=Noesy-H2O, no=1354, id=893
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   63 and name   HA) 2.826 0.958 0.958 ! spec=Noesy-H2O, no=1355, id=894
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   63 and name   HA) 3.203 1.231 1.231 ! spec=Noesy-H2O, no=1356, id=895
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   64 and name   HA) 4.400 2.324 2.324 ! spec=Noesy-H2O, no=1358, id=896
assign (segid "    " and resid   67 and name  HB2) (segid "    " and resid   64 and name   HA) 2.429 0.708 0.708 ! spec=Noesy-H2O, no=1361, id=897
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   64 and name   HA) 3.156 1.195 1.195 ! spec=Noesy-H2O, no=1362, id=898
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HA1) 3.574 1.533 1.533 ! spec=Noesy-H2O, no=1364, id=899
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HA2) 2.847 0.973 0.973 ! spec=Noesy-H2O, no=1365, id=900
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   59 and name  HD1) 2.079 0.518 0.518 ! spec=Noesy-H2O, no=1367, id=901
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   59 and name  HD2)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   59 and name  HD1)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   59 and name  HD2)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   59 and name  HB2) 3.308 1.313 1.313 ! spec=Noesy-H2O, no=1369, id=903
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   59 and name  HB2)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   33 and name   HB) 4.041 1.959 1.959 ! spec=Noesy-H2O, no=1371, id=905
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   33 and name   HB)
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HB1) 2.435 0.712 0.712 ! spec=Noesy-H2O, no=1376, id=908
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HB1) 2.984 1.069 1.069 ! spec=Noesy-H2O, no=1378, id=910
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HG11) 3.229 1.251 1.251 ! spec=Noesy-H2O, no=1381, id=911
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HG12) 3.070 1.131 1.131 ! spec=Noesy-H2O, no=1382, id=912
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HD12) 3.306 1.311 1.311 ! spec=Noesy-H2O, no=1383, id=913
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HD11)
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name HD13)
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name HG11) 2.948 1.043 1.043 ! spec=Noesy-H2O, no=1384, id=914
assign (segid "    " and resid    8 and name HG11) (segid "    " and resid    8 and name   HB) 2.775 0.924 0.924 ! spec=Noesy-H2O, no=1385, id=915
assign (segid "    " and resid    8 and name HG11) (segid "    " and resid    8 and name HG12) 2.218 0.590 0.590 ! spec=Noesy-H2O, no=1386, id=916
assign (segid "    " and resid    8 and name HG11) (segid "    " and resid    8 and name   HA) 2.921 1.024 1.024 ! spec=Noesy-H2O, no=1387, id=917
assign (segid "    " and resid    8 and name HG12) (segid "    " and resid    8 and name   HA) 2.482 0.739 0.739 ! spec=Noesy-H2O, no=1388, id=918
assign (segid "    " and resid    8 and name   HB) (segid "    " and resid    8 and name   HA) 2.637 0.834 0.834 ! spec=Noesy-H2O, no=1389, id=919
assign (segid "    " and resid    8 and name HD12) (segid "    " and resid    8 and name HG11) 2.094 0.526 0.526 ! spec=Noesy-H2O, no=1390, id=920
    or (segid "    " and resid    8 and name HD11) (segid "    " and resid    8 and name HG11)
    or (segid "    " and resid    8 and name HD13) (segid "    " and resid    8 and name HG11)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HB) 2.846 0.972 0.972 ! spec=Noesy-H2O, no=1393, id=923
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG22) 2.894 1.005 1.005 ! spec=Noesy-H2O, no=1395, id=924
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG21)
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HG23)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD22) 2.558 0.785 0.785 ! spec=Noesy-H2O, no=1401, id=926
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD21)
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name HD23)
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   63 and name   HB) 2.153 0.556 0.556 ! spec=Noesy-H2O, no=1404, id=927
    or (segid "    " and resid   63 and name HG21) (segid "    " and resid   63 and name   HB)
    or (segid "    " and resid   63 and name HG23) (segid "    " and resid   63 and name   HB)
assign (segid "    " and resid   66 and name   HG) (segid "    " and resid   66 and name  HB2) 2.479 0.738 0.738 ! spec=Noesy-H2O, no=1414, id=931
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   58 and name   HG) 2.378 0.679 0.679 ! spec=Noesy-H2O, no=1415, id=932
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   58 and name   HG)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   58 and name   HG) 2.777 0.925 0.925 ! spec=Noesy-H2O, no=1416, id=933
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   58 and name   HG)
assign (segid "    " and resid   60 and name   HG) (segid "    " and resid   60 and name   HA) 2.747 0.906 0.906 ! spec=Noesy-H2O, no=1419, id=935
assign (segid "    " and resid   60 and name  HB1) (segid "    " and resid   60 and name   HA) 2.868 0.987 0.987 ! spec=Noesy-H2O, no=1420, id=936
assign (segid "    " and resid   60 and name HD22) (segid "    " and resid   60 and name   HA) 2.426 0.706 0.706 ! spec=Noesy-H2O, no=1421, id=937
    or (segid "    " and resid   60 and name HD21) (segid "    " and resid   60 and name   HA)
    or (segid "    " and resid   60 and name HD23) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name   HA) 2.570 0.793 0.793 ! spec=Noesy-H2O, no=1422, id=938
    or (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name   HA)
    or (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   60 and name   HG) (segid "    " and resid   60 and name  HB2) 1.733 0.360 0.360 ! spec=Noesy-H2O, no=1423, id=939
assign (segid "    " and resid   60 and name  HB1) (segid "    " and resid   60 and name   HG) 2.522 0.763 0.763 ! spec=Noesy-H2O, no=1425, id=941
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name   HG) 2.564 0.789 0.789 ! spec=Noesy-H2O, no=1427, id=943
    or (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name   HG)
    or (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name   HG)
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name  HB1) 2.211 0.586 0.586 ! spec=Noesy-H2O, no=1428, id=944
    or (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name  HB1)
    or (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name  HB1)
assign (segid "    " and resid   60 and name HD22) (segid "    " and resid   60 and name   HG) 2.230 0.597 0.597 ! spec=Noesy-H2O, no=1430, id=946
    or (segid "    " and resid   60 and name HD21) (segid "    " and resid   60 and name   HG)
    or (segid "    " and resid   60 and name HD23) (segid "    " and resid   60 and name   HG)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name  HB1) 3.232 1.254 1.254 ! spec=Noesy-H2O, no=1433, id=949
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name  HB1)
assign (segid "    " and resid   48 and name  HE1) (segid "    " and resid   49 and name HD22) 2.733 0.896 0.896 ! spec=Noesy-H2O, no=1434, id=950
    or (segid "    " and resid   48 and name  HE1) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   48 and name  HE1) (segid "    " and resid   49 and name HD23)
    or (segid "    " and resid   48 and name  HE2) (segid "    " and resid   49 and name HD22)
    or (segid "    " and resid   48 and name  HE2) (segid "    " and resid   49 and name HD21)
    or (segid "    " and resid   48 and name  HE2) (segid "    " and resid   49 and name HD23)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB1) 3.033 1.104 1.104 ! spec=Noesy-H2O, no=1435, id=951
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name   HA) 2.510 0.756 0.756 ! spec=Noesy-H2O, no=1436, id=952
assign (segid "    " and resid   49 and name   HG) (segid "    " and resid   49 and name   HA) 2.476 0.735 0.735 ! spec=Noesy-H2O, no=1437, id=953
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name   HG) 2.356 0.666 0.666 ! spec=Noesy-H2O, no=1438, id=954
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name  HB2) 2.054 0.506 0.506 ! spec=Noesy-H2O, no=1439, id=955
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name   HG) 2.360 0.669 0.669 ! spec=Noesy-H2O, no=1440, id=956
assign (segid "    " and resid   49 and name HD12) (segid "    " and resid   49 and name   HG) 3.201 1.230 1.230 ! spec=Noesy-H2O, no=1441, id=957
    or (segid "    " and resid   49 and name HD11) (segid "    " and resid   49 and name   HG)
    or (segid "    " and resid   49 and name HD13) (segid "    " and resid   49 and name   HG)
assign (segid "    " and resid   49 and name HD12) (segid "    " and resid   49 and name  HB2) 1.844 0.408 0.408 ! spec=Noesy-H2O, no=1442, id=958
    or (segid "    " and resid   49 and name HD11) (segid "    " and resid   49 and name  HB2)
    or (segid "    " and resid   49 and name HD13) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   49 and name HD22) (segid "    " and resid   49 and name   HG) 2.079 0.519 0.519 ! spec=Noesy-H2O, no=1444, id=960
    or (segid "    " and resid   49 and name HD21) (segid "    " and resid   49 and name   HG)
    or (segid "    " and resid   49 and name HD23) (segid "    " and resid   49 and name   HG)
assign (segid "    " and resid   49 and name HD22) (segid "    " and resid   49 and name  HB1) 2.263 0.615 0.615 ! spec=Noesy-H2O, no=1446, id=962
    or (segid "    " and resid   49 and name HD21) (segid "    " and resid   49 and name  HB1)
    or (segid "    " and resid   49 and name HD23) (segid "    " and resid   49 and name  HB1)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HG) 2.641 0.837 0.837 ! spec=Noesy-H2O, no=1448, id=964
assign (segid "    " and resid   48 and name  HE1) (segid "    " and resid   49 and name   HG) 3.134 1.178 1.178 ! spec=Noesy-H2O, no=1450, id=966
    or (segid "    " and resid   48 and name  HE2) (segid "    " and resid   49 and name   HG)
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name   HG) 2.523 0.764 0.764 ! spec=Noesy-H2O, no=1451, id=967
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name   HG)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HG) 3.215 1.240 1.240 ! spec=Noesy-H2O, no=1452, id=968
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name  HB1) 2.797 0.939 0.939 ! spec=Noesy-H2O, no=1453, id=969
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name   HG) 2.081 0.520 0.520 ! spec=Noesy-H2O, no=1454, id=970
assign (segid "    " and resid   18 and name HD12) (segid "    " and resid   18 and name  HB1) 2.638 0.835 0.835 ! spec=Noesy-H2O, no=1457, id=973
    or (segid "    " and resid   18 and name HD11) (segid "    " and resid   18 and name  HB1)
    or (segid "    " and resid   18 and name HD13) (segid "    " and resid   18 and name  HB1)
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   18 and name  HB2) 2.581 0.799 0.799 ! spec=Noesy-H2O, no=1459, id=974
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   18 and name  HB1) 2.909 1.016 1.016 ! spec=Noesy-H2O, no=1460, id=975
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA) 2.888 1.001 1.001 ! spec=Noesy-H2O, no=1461, id=976
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD22) 2.988 1.071 1.071 ! spec=Noesy-H2O, no=1464, id=978
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD21)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name HD23)
assign (segid "    " and resid   18 and name HD22) (segid "    " and resid   18 and name   HA) 2.230 0.597 0.597 ! spec=Noesy-H2O, no=1466, id=979
    or (segid "    " and resid   18 and name HD21) (segid "    " and resid   18 and name   HA)
    or (segid "    " and resid   18 and name HD23) (segid "    " and resid   18 and name   HA)
assign (segid "    " and resid   18 and name HD22) (segid "    " and resid   18 and name  HB2) 3.198 1.227 1.227 ! spec=Noesy-H2O, no=1467, id=980
    or (segid "    " and resid   18 and name HD21) (segid "    " and resid   18 and name  HB2)
    or (segid "    " and resid   18 and name HD23) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB2) 3.061 1.124 1.124 ! spec=Noesy-H2O, no=1471, id=984
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB2) 2.876 0.993 0.993 ! spec=Noesy-H2O, no=1472, id=985
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   32 and name  HB2) 1.421 0.242 0.242 ! spec=Noesy-H2O, no=1473, id=986
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name   HA) 3.342 1.340 1.340 ! spec=Noesy-H2O, no=1474, id=987
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   40 and name  HB2) 3.446 1.425 1.425 ! spec=Noesy-H2O, no=1475, id=988
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   40 and name  HB1) 3.432 1.414 1.414 ! spec=Noesy-H2O, no=1476, id=989
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HA) 3.056 1.121 1.121 ! spec=Noesy-H2O, no=1477, id=990
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   34 and name   HA) 3.246 1.265 1.265 ! spec=Noesy-H2O, no=1478, id=991
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HG1) 2.704 0.877 0.877 ! spec=Noesy-H2O, no=1482, id=993
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB1) 2.540 0.774 0.774 ! spec=Noesy-H2O, no=1483, id=994
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1) 3.094 1.149 1.149 ! spec=Noesy-H2O, no=1484, id=995
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HA) 2.555 0.783 0.783 ! spec=Noesy-H2O, no=1485, id=996
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD2) 2.740 0.901 0.901 ! spec=Noesy-H2O, no=1486, id=997
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HD1) 2.873 0.991 0.991 ! spec=Noesy-H2O, no=1487, id=998
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   21 and name  HB2) 2.293 0.631 0.631 ! spec=Noesy-H2O, no=1488, id=999
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HB1) 2.197 0.579 0.579 ! spec=Noesy-H2O, no=1489, id=1000
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HG1) 2.906 1.013 1.013 ! spec=Noesy-H2O, no=1490, id=1001
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HD2) 3.438 1.418 1.418 ! spec=Noesy-H2O, no=1491, id=1002
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HB2) 2.399 0.691 0.691 ! spec=Noesy-H2O, no=1492, id=1003
assign (segid "    " and resid   35 and name  HG1) (segid "    " and resid   35 and name  HG2) 2.117 0.538 0.538 ! spec=Noesy-H2O, no=1493, id=1004
assign (segid "    " and resid   35 and name  HG2) (segid "    " and resid   35 and name  HB2) 2.043 0.501 0.501 ! spec=Noesy-H2O, no=1494, id=1005
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HG1) 3.267 1.281 1.281 ! spec=Noesy-H2O, no=1495, id=1006
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HG2) 2.513 0.758 0.758 ! spec=Noesy-H2O, no=1496, id=1007
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HG2) 3.227 1.250 1.250 ! spec=Noesy-H2O, no=1497, id=1008
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name   HA) 2.536 0.772 0.772 ! spec=Noesy-H2O, no=1498, id=1009
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HD2) 2.632 0.831 0.831 ! spec=Noesy-H2O, no=1499, id=1010
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HD1) 2.659 0.848 0.848 ! spec=Noesy-H2O, no=1500, id=1011
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HB2) 2.444 0.717 0.717 ! spec=Noesy-H2O, no=1501, id=1012
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HG2) 1.974 0.468 0.468 ! spec=Noesy-H2O, no=1502, id=1013
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HD2) 2.637 0.835 0.835 ! spec=Noesy-H2O, no=1503, id=1014
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HD1) 2.606 0.815 0.815 ! spec=Noesy-H2O, no=1504, id=1015
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HD2) 3.043 1.111 1.111 ! spec=Noesy-H2O, no=1505, id=1016
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HD1) 3.080 1.138 1.138 ! spec=Noesy-H2O, no=1506, id=1017
assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid   65 and name  HD2) 2.048 0.503 0.503 ! spec=Noesy-H2O, no=1507, id=1018
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HD2) 2.562 0.788 0.788 ! spec=Noesy-H2O, no=1508, id=1019
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HD1) 3.060 1.123 1.123 ! spec=Noesy-H2O, no=1509, id=1020
assign (segid "    " and resid   65 and name  HD1) (segid "    " and resid   65 and name   HA) 2.972 1.060 1.060 ! spec=Noesy-H2O, no=1510, id=1021
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   65 and name   HA) 3.069 1.130 1.130 ! spec=Noesy-H2O, no=1511, id=1022
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   65 and name   HA) 3.054 1.119 1.119 ! spec=Noesy-H2O, no=1512, id=1023
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   65 and name  HB1) 2.607 0.816 0.816 ! spec=Noesy-H2O, no=1513, id=1024
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB1) 2.604 0.814 0.814 ! spec=Noesy-H2O, no=1514, id=1025
assign (segid "    " and resid   37 and name  HG2) (segid "    " and resid   37 and name   HA) 3.182 1.215 1.215 ! spec=Noesy-H2O, no=1515, id=1026
assign (segid "    " and resid   37 and name  HG1) (segid "    " and resid   37 and name   HA) 2.599 0.811 0.811 ! spec=Noesy-H2O, no=1516, id=1027
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name   HA) 2.984 1.068 1.068 ! spec=Noesy-H2O, no=1517, id=1028
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name  HG2) 3.054 1.119 1.119 ! spec=Noesy-H2O, no=1518, id=1029
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name  HG2) 2.705 0.878 0.878 ! spec=Noesy-H2O, no=1519, id=1030
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name  HG1) 2.441 0.715 0.715 ! spec=Noesy-H2O, no=1521, id=1032
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name  HB2) 2.284 0.626 0.626 ! spec=Noesy-H2O, no=1522, id=1033
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name  HG1) 2.499 0.749 0.749 ! spec=Noesy-H2O, no=1523, id=1034
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HG1) 3.183 1.216 1.216 ! spec=Noesy-H2O, no=1524, id=1035
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HD2) 3.065 1.128 1.128 ! spec=Noesy-H2O, no=1525, id=1036
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name  HD2) 3.217 1.242 1.242 ! spec=Noesy-H2O, no=1526, id=1037
assign (segid "    " and resid   41 and name  HD2) (segid "    " and resid   41 and name   HA) 3.255 1.272 1.272 ! spec=Noesy-H2O, no=1528, id=1038
assign (segid "    " and resid   41 and name  HD2) (segid "    " and resid   40 and name   HA) 2.558 0.785 0.785 ! spec=Noesy-H2O, no=1529, id=1039
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name   HA) 2.267 0.617 0.617 ! spec=Noesy-H2O, no=1530, id=1040
assign (segid "    " and resid   41 and name  HG2) (segid "    " and resid   41 and name   HA) 2.810 0.948 0.948 ! spec=Noesy-H2O, no=1531, id=1041
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name   HA) 2.417 0.701 0.701 ! spec=Noesy-H2O, no=1533, id=1043
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name  HD2) 2.995 1.077 1.077 ! spec=Noesy-H2O, no=1534, id=1044
assign (segid "    " and resid   41 and name  HG2) (segid "    " and resid   41 and name  HD2) 2.793 0.936 0.936 ! spec=Noesy-H2O, no=1535, id=1045
assign (segid "    " and resid   41 and name  HG1) (segid "    " and resid   41 and name  HD2) 2.613 0.820 0.820 ! spec=Noesy-H2O, no=1536, id=1046
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name  HD2) 3.517 1.484 1.484 ! spec=Noesy-H2O, no=1537, id=1047
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name  HB2) 2.099 0.529 0.529 ! spec=Noesy-H2O, no=1538, id=1048
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name  HG2) 2.379 0.679 0.679 ! spec=Noesy-H2O, no=1539, id=1049
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name  HG1) 2.164 0.562 0.562 ! spec=Noesy-H2O, no=1540, id=1050
assign (segid "    " and resid   41 and name  HG1) (segid "    " and resid   41 and name  HB2) 2.066 0.512 0.512 ! spec=Noesy-H2O, no=1541, id=1051
assign (segid "    " and resid   41 and name  HG1) (segid "    " and resid   41 and name  HG2) 2.007 0.483 0.483 ! spec=Noesy-H2O, no=1542, id=1052
assign (segid "    " and resid   41 and name  HG2) (segid "    " and resid   41 and name  HB2) 2.553 0.782 0.782 ! spec=Noesy-H2O, no=1543, id=1053
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   42 and name   HA) 3.071 1.131 1.131 ! spec=Noesy-H2O, no=1544, id=1054
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   42 and name  HG2) 2.889 1.002 1.002 ! spec=Noesy-H2O, no=1545, id=1055
assign (segid "    " and resid   42 and name  HG2) (segid "    " and resid   42 and name   HA) 3.408 1.393 1.393 ! spec=Noesy-H2O, no=1546, id=1056
assign (segid "    " and resid   42 and name  HG1) (segid "    " and resid   42 and name  HG2) 2.476 0.736 0.736 ! spec=Noesy-H2O, no=1548, id=1057
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB1) 2.902 1.011 1.011 ! spec=Noesy-H2O, no=1550, id=1058
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HG2) 2.882 0.997 0.997 ! spec=Noesy-H2O, no=1551, id=1059
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB2) 2.931 1.031 1.031 ! spec=Noesy-H2O, no=1552, id=1060
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HG2) 3.781 1.716 1.716 ! spec=Noesy-H2O, no=1553, id=1061
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HB2) 3.085 1.142 1.142 ! spec=Noesy-H2O, no=1554, id=1062
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HG1) 3.097 1.151 1.151 ! spec=Noesy-H2O, no=1555, id=1063
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name  HB1) 3.611 1.565 1.565 ! spec=Noesy-H2O, no=1556, id=1064
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name   HA) 2.902 1.010 1.010 ! spec=Noesy-H2O, no=1557, id=1065
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name  HG2) 2.570 0.793 0.793 ! spec=Noesy-H2O, no=1558, id=1066
assign (segid "    " and resid   50 and name  HB1) (segid "    " and resid   50 and name  HG1) 2.522 0.763 0.763 ! spec=Noesy-H2O, no=1560, id=1068
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name  HB2) 2.673 0.858 0.858 ! spec=Noesy-H2O, no=1562, id=1070
assign (segid "    " and resid   69 and name  HG2) (segid "    " and resid   69 and name   HA) 2.254 0.610 0.610 ! spec=Noesy-H2O, no=1564, id=1072
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   69 and name  HG2) 2.111 0.535 0.535 ! spec=Noesy-H2O, no=1565, id=1073
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   69 and name  HB2) 1.743 0.365 0.365 ! spec=Noesy-H2O, no=1566, id=1074
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   16 and name  HB2) 3.263 1.277 1.277 ! spec=Noesy-H2O, no=1568, id=1076
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   16 and name  HB2)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB2) 3.013 1.090 1.090 ! spec=Noesy-H2O, no=1569, id=1077
assign (segid "    " and resid   16 and name  HG1) (segid "    " and resid   16 and name  HB2) 2.226 0.595 0.595 ! spec=Noesy-H2O, no=1570, id=1078
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB1) 2.907 1.014 1.014 ! spec=Noesy-H2O, no=1571, id=1079
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB1) 2.800 0.941 0.941 ! spec=Noesy-H2O, no=1572, id=1080
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name  HG2) 3.183 1.216 1.216 ! spec=Noesy-H2O, no=1573, id=1081
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name  HG1) 2.556 0.784 0.784 ! spec=Noesy-H2O, no=1574, id=1082
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name  HB2) 1.735 0.361 0.361 ! spec=Noesy-H2O, no=1575, id=1083
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name  HG2) 3.154 1.194 1.194 ! spec=Noesy-H2O, no=1576, id=1084
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name  HG1) 2.660 0.849 0.849 ! spec=Noesy-H2O, no=1577, id=1085
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   44 and name  HG2) 2.158 0.559 0.559 ! spec=Noesy-H2O, no=1578, id=1086
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HG2) 3.297 1.305 1.305 ! spec=Noesy-H2O, no=1579, id=1087
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HG1) 2.919 1.023 1.023 ! spec=Noesy-H2O, no=1580, id=1088
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HB2) 3.123 1.171 1.171 ! spec=Noesy-H2O, no=1581, id=1089
assign (segid "    " and resid   61 and name  HB2) (segid "    " and resid   61 and name  HG1) 2.115 0.537 0.537 ! spec=Noesy-H2O, no=1582, id=1090
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name   HA) 2.841 0.969 0.969 ! spec=Noesy-H2O, no=1583, id=1091
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HA) 2.762 0.916 0.916 ! spec=Noesy-H2O, no=1584, id=1092
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB1) 3.045 1.112 1.112 ! spec=Noesy-H2O, no=1585, id=1093
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB1) 2.971 1.059 1.059 ! spec=Noesy-H2O, no=1586, id=1094
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name   HA) 2.634 0.833 0.833 ! spec=Noesy-H2O, no=1587, id=1095
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name   HA) 2.499 0.749 0.749 ! spec=Noesy-H2O, no=1588, id=1096
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name   HA) 2.392 0.687 0.687 ! spec=Noesy-H2O, no=1589, id=1097
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HG2) 2.291 0.630 0.630 ! spec=Noesy-H2O, no=1590, id=1098
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HG2) 2.182 0.571 0.571 ! spec=Noesy-H2O, no=1591, id=1099
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name  HG1) 3.392 1.381 1.381 ! spec=Noesy-H2O, no=1592, id=1100
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name  HG2) 2.926 1.027 1.027 ! spec=Noesy-H2O, no=1593, id=1101
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name  HG2) 4.630 2.572 2.572 ! spec=Noesy-H2O, no=1595, id=1102
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name  HG1) 3.652 1.600 1.600 ! spec=Noesy-H2O, no=1596, id=1103
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HE2) 3.129 1.175 1.175 ! spec=Noesy-H2O, no=1597, id=1104
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name   HA) 3.100 1.153 1.153 ! spec=Noesy-H2O, no=1598, id=1105
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HB2) 3.087 1.143 1.143 ! spec=Noesy-H2O, no=1599, id=1106
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HD2) 3.476 1.450 1.450 ! spec=Noesy-H2O, no=1600, id=1107
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HD1) 3.094 1.148 1.148 ! spec=Noesy-H2O, no=1601, id=1108
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   56 and name  HB1) 2.836 0.965 0.965 ! spec=Noesy-H2O, no=1603, id=1110
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name  HB2) 2.339 0.656 0.656 ! spec=Noesy-H2O, no=1604, id=1111
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name  HD1) 2.701 0.876 0.876 ! spec=Noesy-H2O, no=1605, id=1112
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name  HD2) 2.392 0.687 0.687 ! spec=Noesy-H2O, no=1606, id=1113
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   56 and name   HA) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=1607, id=1114
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name  HE2) 2.892 1.004 1.004 ! spec=Noesy-H2O, no=1608, id=1115
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   56 and name  HE2) 3.095 1.149 1.149 ! spec=Noesy-H2O, no=1609, id=1116
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   56 and name  HE2) 2.819 0.954 0.954 ! spec=Noesy-H2O, no=1610, id=1117
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name   HA) 2.973 1.060 1.060 ! spec=Noesy-H2O, no=1611, id=1118
assign (segid "    " and resid   56 and name  HD2) (segid "    " and resid   56 and name  HB2) 2.220 0.591 0.591 ! spec=Noesy-H2O, no=1612, id=1119
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   56 and name  HB2) 3.006 1.084 1.084 ! spec=Noesy-H2O, no=1613, id=1120
assign (segid "    " and resid   56 and name  HG2) (segid "    " and resid   56 and name   HA) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=1615, id=1122
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name   HA) 3.141 1.184 1.184 ! spec=Noesy-H2O, no=1616, id=1123
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HB2) 2.585 0.802 0.802 ! spec=Noesy-H2O, no=1617, id=1124
assign (segid "    " and resid   12 and name  HG2) (segid "    " and resid   12 and name  HB1) 2.566 0.790 0.790 ! spec=Noesy-H2O, no=1618, id=1125
assign (segid "    " and resid   12 and name  HG1) (segid "    " and resid   12 and name  HG2) 2.378 0.678 0.678 ! spec=Noesy-H2O, no=1620, id=1127
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   12 and name  HG2) 3.266 1.280 1.280 ! spec=Noesy-H2O, no=1621, id=1128
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   12 and name  HG2)
assign (segid "    " and resid   46 and name  HE1) (segid "    " and resid   12 and name  HG1) 3.751 1.689 1.689 ! spec=Noesy-H2O, no=1622, id=1129
    or (segid "    " and resid   46 and name  HE2) (segid "    " and resid   12 and name  HG1)
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   12 and name  HE1) 2.714 0.884 0.884 ! spec=Noesy-H2O, no=1625, id=1130
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HB2) 3.053 1.118 1.118 ! spec=Noesy-H2O, no=1626, id=1131
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HB1) 2.483 0.740 0.740 ! spec=Noesy-H2O, no=1627, id=1132
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HG2) 2.625 0.827 0.827 ! spec=Noesy-H2O, no=1628, id=1133
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HG1) 2.875 0.992 0.992 ! spec=Noesy-H2O, no=1629, id=1134
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name   HA) 2.576 0.797 0.797 ! spec=Noesy-H2O, no=1639, id=1136
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.406 0.694 0.694 ! spec=Noesy-H2O, no=1640, id=1137
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA) 2.609 0.817 0.817 ! spec=Noesy-H2O, no=1641, id=1138
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HB2) 2.092 0.525 0.525 ! spec=Noesy-H2O, no=1642, id=1139
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name   HA) 2.481 0.739 0.739 ! spec=Noesy-H2O, no=1643, id=1140
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.707 0.879 0.879 ! spec=Noesy-H2O, no=1644, id=1141
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HB2) 2.483 0.740 0.740 ! spec=Noesy-H2O, no=1645, id=1142
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HB2) 2.451 0.721 0.721 ! spec=Noesy-H2O, no=1646, id=1143
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HB1) 2.466 0.730 0.730 ! spec=Noesy-H2O, no=1647, id=1144
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HD2) 2.072 0.515 0.515 ! spec=Noesy-H2O, no=1648, id=1145
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HB1) 2.652 0.844 0.844 ! spec=Noesy-H2O, no=1649, id=1146
assign (segid "    " and resid   24 and name  HD2) (segid "    " and resid   24 and name  HE2) 2.401 0.692 0.692 ! spec=Noesy-H2O, no=1650, id=1147
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HE2) 2.560 0.786 0.786 ! spec=Noesy-H2O, no=1651, id=1148
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HE2) 3.075 1.134 1.134 ! spec=Noesy-H2O, no=1652, id=1149
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG2) 3.212 1.238 1.238 ! spec=Noesy-H2O, no=1654, id=1151
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HG1) 3.087 1.144 1.144 ! spec=Noesy-H2O, no=1655, id=1152
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HE2) 3.368 1.361 1.361 ! spec=Noesy-H2O, no=1656, id=1153
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HD2) 2.859 0.981 0.981 ! spec=Noesy-H2O, no=1657, id=1154
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   57 and name   HA) 3.024 1.097 1.097 ! spec=Noesy-H2O, no=1658, id=1155
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   56 and name   HA) 3.401 1.388 1.388 ! spec=Noesy-H2O, no=1659, id=1156
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name   HA) 2.561 0.787 0.787 ! spec=Noesy-H2O, no=1660, id=1157
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name   HA) 2.701 0.875 0.875 ! spec=Noesy-H2O, no=1661, id=1158
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   57 and name   HA) 2.748 0.906 0.906 ! spec=Noesy-H2O, no=1662, id=1159
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name   HA) 2.805 0.944 0.944 ! spec=Noesy-H2O, no=1663, id=1160
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name  HE2) 2.118 0.538 0.538 ! spec=Noesy-H2O, no=1664, id=1161
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   57 and name  HE2) 2.135 0.547 0.547 ! spec=Noesy-H2O, no=1665, id=1162
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name  HE2) 2.397 0.689 0.689 ! spec=Noesy-H2O, no=1666, id=1163
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name  HB2) 2.698 0.874 0.874 ! spec=Noesy-H2O, no=1667, id=1164
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name  HD2) 2.260 0.613 0.613 ! spec=Noesy-H2O, no=1668, id=1165
assign (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name  HG2) 2.120 0.540 0.540 ! spec=Noesy-H2O, no=1669, id=1166
assign (segid "    " and resid   57 and name  HD2) (segid "    " and resid   57 and name  HB2) 2.341 0.658 0.658 ! spec=Noesy-H2O, no=1670, id=1167
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   57 and name  HB2) 2.491 0.745 0.745 ! spec=Noesy-H2O, no=1671, id=1168
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HG1) 2.796 0.938 0.938 ! spec=Noesy-H2O, no=1673, id=1170
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB1) 2.641 0.837 0.837 ! spec=Noesy-H2O, no=1674, id=1171
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name   HA) 2.406 0.695 0.695 ! spec=Noesy-H2O, no=1676, id=1172
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name   HA) 2.322 0.647 0.647 ! spec=Noesy-H2O, no=1677, id=1173
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name   HA) 2.692 0.870 0.870 ! spec=Noesy-H2O, no=1678, id=1174
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HE2) 2.423 0.705 0.705 ! spec=Noesy-H2O, no=1679, id=1175
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name  HE2) 2.340 0.657 0.657 ! spec=Noesy-H2O, no=1680, id=1176
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HE2) 2.861 0.982 0.982 ! spec=Noesy-H2O, no=1681, id=1177
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name  HB2) 2.193 0.577 0.577 ! spec=Noesy-H2O, no=1682, id=1178
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name  HB2) 2.309 0.640 0.640 ! spec=Noesy-H2O, no=1683, id=1179
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HB2) 2.954 1.047 1.047 ! spec=Noesy-H2O, no=1684, id=1180
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HB1) 2.357 0.666 0.666 ! spec=Noesy-H2O, no=1685, id=1181
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HG2) 2.021 0.490 0.490 ! spec=Noesy-H2O, no=1686, id=1182
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name  HB1) 2.346 0.661 0.661 ! spec=Noesy-H2O, no=1687, id=1183
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HB2) 2.374 0.676 0.676 ! spec=Noesy-H2O, no=1689, id=1185
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name  HD2) 2.062 0.510 0.510 ! spec=Noesy-H2O, no=1690, id=1186
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HB2) 3.010 1.087 1.087 ! spec=Noesy-H2O, no=1691, id=1187
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HG1) 2.962 1.053 1.053 ! spec=Noesy-H2O, no=1692, id=1188
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HB1) 2.990 1.073 1.073 ! spec=Noesy-H2O, no=1693, id=1189
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   52 and name   HA) 3.075 1.135 1.135 ! spec=Noesy-H2O, no=1694, id=1190
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   54 and name   HA) 2.579 0.798 0.798 ! spec=Noesy-H2O, no=1695, id=1191
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HB1) 3.128 1.174 1.174 ! spec=Noesy-H2O, no=1696, id=1192
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HB1) 2.725 0.891 0.891 ! spec=Noesy-H2O, no=1697, id=1193
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HG2) 2.733 0.896 0.896 ! spec=Noesy-H2O, no=1699, id=1194
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HG2) 3.330 1.331 1.331 ! spec=Noesy-H2O, no=1700, id=1195
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name   HA) 2.332 0.653 0.653 ! spec=Noesy-H2O, no=1701, id=1196
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name  HB2) 2.270 0.619 0.619 ! spec=Noesy-H2O, no=1703, id=1198
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name   HA) 2.392 0.686 0.686 ! spec=Noesy-H2O, no=1705, id=1200
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HG1) 2.995 1.076 1.076 ! spec=Noesy-H2O, no=1706, id=1201
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HD2) 3.374 1.366 1.366 ! spec=Noesy-H2O, no=1708, id=1203
assign (segid "    " and resid   54 and name  HD2) (segid "    " and resid   54 and name   HA) 2.946 1.041 1.041 ! spec=Noesy-H2O, no=1709, id=1204
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB2) 2.750 0.907 0.907 ! spec=Noesy-H2O, no=1710, id=1205
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HD2) 2.445 0.717 0.717 ! spec=Noesy-H2O, no=1711, id=1206
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB1) 2.110 0.534 0.534 ! spec=Noesy-H2O, no=1712, id=1207
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HG2) 2.157 0.558 0.558 ! spec=Noesy-H2O, no=1713, id=1208
assign (segid "    " and resid   54 and name  HD2) (segid "    " and resid   54 and name  HB2) 4.341 2.261 2.261 ! spec=Noesy-H2O, no=1714, id=1209
assign (segid "    " and resid   54 and name  HB1) (segid "    " and resid   54 and name  HD2) 2.571 0.793 0.793 ! spec=Noesy-H2O, no=1715, id=1210
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name  HD2) 2.522 0.763 0.763 ! spec=Noesy-H2O, no=1716, id=1211
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HE2) 2.595 0.808 0.808 ! spec=Noesy-H2O, no=1717, id=1212
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name  HE2) 2.470 0.732 0.732 ! spec=Noesy-H2O, no=1718, id=1213
assign (segid "    " and resid   54 and name  HD2) (segid "    " and resid   54 and name  HE2) 2.481 0.738 0.738 ! spec=Noesy-H2O, no=1719, id=1214
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HA) 3.604 1.559 1.559 ! spec=Noesy-H2O, no=1721, id=1215
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB2) 2.892 1.003 1.003 ! spec=Noesy-H2O, no=1722, id=1216
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HG2) 2.988 1.071 1.071 ! spec=Noesy-H2O, no=1724, id=1217
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HA) 2.633 0.832 0.832 ! spec=Noesy-H2O, no=1727, id=1218
assign (segid "    " and resid   14 and name  HG2) (segid "    " and resid   14 and name   HA) 2.672 0.857 0.857 ! spec=Noesy-H2O, no=1728, id=1219
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB1) 2.338 0.656 0.656 ! spec=Noesy-H2O, no=1729, id=1220
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HA) 2.416 0.701 0.701 ! spec=Noesy-H2O, no=1731, id=1222
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HG2) 2.345 0.660 0.660 ! spec=Noesy-H2O, no=1732, id=1223
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HB2) 2.411 0.698 0.698 ! spec=Noesy-H2O, no=1733, id=1224
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name   HA) 2.479 0.738 0.738 ! spec=Noesy-H2O, no=1736, id=1226
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HG2) 2.797 0.939 0.939 ! spec=Noesy-H2O, no=1737, id=1227
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HG1) 3.036 1.106 1.106 ! spec=Noesy-H2O, no=1738, id=1228
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB2) 2.663 0.851 0.851 ! spec=Noesy-H2O, no=1739, id=1229
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HA) 2.842 0.969 0.969 ! spec=Noesy-H2O, no=1740, id=1230
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HB2) 2.850 0.975 0.975 ! spec=Noesy-H2O, no=1741, id=1231
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   38 and name   HA) 2.413 0.699 0.699 ! spec=Noesy-H2O, no=1742, id=1232
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   38 and name   HA)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   38 and name   HA) 2.549 0.780 0.780 ! spec=Noesy-H2O, no=1743, id=1233
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   38 and name   HA)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   38 and name  HB2) 2.282 0.625 0.625 ! spec=Noesy-H2O, no=1744, id=1234
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   38 and name  HB2)
assign (segid "    " and resid   38 and name HE22) (segid "    " and resid   38 and name  HG2) 3.236 1.256 1.256 ! spec=Noesy-H2O, no=1746, id=1236
assign (segid "    " and resid   38 and name HE22) (segid "    " and resid   38 and name  HG1) 3.398 1.386 1.386 ! spec=Noesy-H2O, no=1747, id=1237
assign (segid "    " and resid   38 and name HE21) (segid "    " and resid   38 and name  HG2) 2.859 0.981 0.981 ! spec=Noesy-H2O, no=1748, id=1238
assign (segid "    " and resid   38 and name HE21) (segid "    " and resid   38 and name  HG1) 2.839 0.967 0.967 ! spec=Noesy-H2O, no=1749, id=1239
assign (segid "    " and resid   38 and name HE21) (segid "    " and resid   38 and name HE22) 1.790 0.384 0.384 ! spec=Noesy-H2O, no=1750, id=1240
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   53 and name   HA) 2.509 0.755 0.755 ! spec=Noesy-H2O, no=1753, id=1241
assign (segid "    " and resid   53 and name HE21) (segid "    " and resid   53 and name  HG2) 3.003 1.082 1.082 ! spec=Noesy-H2O, no=1754, id=1242
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   30 and name  HH2) 2.164 0.562 0.562 ! spec=Noesy-H2O, no=1756, id=1243
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   59 and name   HZ) 2.079 0.518 0.518 ! spec=Noesy-H2O, no=1759, id=1245
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   59 and name   HZ)
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   30 and name   HA) 2.502 0.751 0.751 ! spec=Noesy-H2O, no=1761, id=1246
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   30 and name  HB2) 2.997 1.078 1.078 ! spec=Noesy-H2O, no=1764, id=1247
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   30 and name  HB2)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   30 and name  HB1) 3.169 1.205 1.205 ! spec=Noesy-H2O, no=1765, id=1248
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   30 and name   HA) 2.884 0.998 0.998 ! spec=Noesy-H2O, no=1766, id=1249
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   30 and name   HA) 2.815 0.951 0.951 ! spec=Noesy-H2O, no=1767, id=1250
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   30 and name  HB2) 2.690 0.868 0.868 ! spec=Noesy-H2O, no=1768, id=1251
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   30 and name  HB2)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   30 and name  HB1) 3.381 1.372 1.372 ! spec=Noesy-H2O, no=1769, id=1252
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   56 and name  HG2) 3.134 1.178 1.178 ! spec=Noesy-H2O, no=1770, id=1253
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   56 and name  HG1) 3.489 1.461 1.461 ! spec=Noesy-H2O, no=1771, id=1254
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   56 and name  HE2) 2.724 0.891 0.891 ! spec=Noesy-H2O, no=1772, id=1255
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   56 and name  HD1) 2.863 0.983 0.983 ! spec=Noesy-H2O, no=1773, id=1256
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   56 and name  HD2) 3.090 1.146 1.146 ! spec=Noesy-H2O, no=1774, id=1257
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD12) 2.900 1.009 1.009 ! spec=Noesy-H2O, no=1775, id=1258
    or (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD11)
    or (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD13)
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD22) 2.461 0.727 0.727 ! spec=Noesy-H2O, no=1776, id=1259
    or (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD21)
    or (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name HD23)
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name   HA) 3.102 1.155 1.155 ! spec=Noesy-H2O, no=1777, id=1260
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   34 and name   HA) 3.077 1.136 1.136 ! spec=Noesy-H2O, no=1778, id=1261
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   34 and name   HA)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   34 and name  HB2) 3.183 1.216 1.216 ! spec=Noesy-H2O, no=1779, id=1262
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   34 and name  HB2)
assign (segid "    " and resid   43 and name  HE1) (segid "    " and resid   34 and name  HB1) 3.249 1.267 1.267 ! spec=Noesy-H2O, no=1780, id=1263
    or (segid "    " and resid   43 and name  HE2) (segid "    " and resid   34 and name  HB1)
assign (segid "    " and resid   30 and name  HH2) (segid "    " and resid   30 and name  HZ3) 2.204 0.583 0.583 ! spec=Noesy-H2O, no=1781, id=1264
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   30 and name  HE3) 2.743 0.903 0.903 ! spec=Noesy-H2O, no=1784, id=1265
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   30 and name  HE3)
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   30 and name  HE3) 2.402 0.692 0.692 ! spec=Noesy-H2O, no=1786, id=1266
assign (segid "    " and resid   30 and name  HH2) (segid "    " and resid   30 and name  HE3) 3.319 1.322 1.322 ! spec=Noesy-H2O, no=1787, id=1267
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   30 and name  HB2) 3.209 1.236 1.236 ! spec=Noesy-H2O, no=1788, id=1268
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   30 and name  HB1) 3.442 1.422 1.422 ! spec=Noesy-H2O, no=1789, id=1269
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   59 and name  HB1) 3.267 1.281 1.281 ! spec=Noesy-H2O, no=1790, id=1270
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   59 and name  HB2) 3.240 1.260 1.260 ! spec=Noesy-H2O, no=1791, id=1271
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   33 and name   HB) 2.920 1.023 1.023 ! spec=Noesy-H2O, no=1794, id=1274
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   30 and name  HE3) 3.501 1.471 1.471 ! spec=Noesy-H2O, no=1795, id=1275
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HE3) 3.417 1.401 1.401 ! spec=Noesy-H2O, no=1799, id=1277
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   59 and name  HD1) 3.222 1.246 1.246 ! spec=Noesy-H2O, no=1800, id=1278
    or (segid "    " and resid   30 and name   HN) (segid "    " and resid   59 and name  HD2)
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   59 and name  HE1) 3.189 1.220 1.220 ! spec=Noesy-H2O, no=1801, id=1279
    or (segid "    " and resid   30 and name   HN) (segid "    " and resid   59 and name  HE2)
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   47 and name HG22) 3.476 1.450 1.450 ! spec=Noesy-H2O, no=1802, id=1280
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   46 and name  HD1) (segid "    " and resid   47 and name HG23)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   47 and name HG22)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   55 and name   HA) 2.502 0.751 0.751 ! spec=Noesy-H2O, no=1803, id=1281
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   55 and name   HA) 3.127 1.173 1.173 ! spec=Noesy-H2O, no=1804, id=1282
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   15 and name  HE1) (segid "    " and resid   55 and name  HB2) 2.657 0.847 0.847 ! spec=Noesy-H2O, no=1805, id=1283
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   15 and name  HE1) (segid "    " and resid   55 and name  HB3)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   55 and name  HB2)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   15 and name  HE2) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   43 and name  HB2) 3.338 1.337 1.337 ! spec=Noesy-H2O, no=1807, id=1285
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   43 and name  HB1) 3.039 1.108 1.108 ! spec=Noesy-H2O, no=1808, id=1286
assign (segid "    " and resid   44 and name  HG1) (segid "    " and resid   41 and name   HA) 3.444 1.423 1.423 ! spec=Noesy-H2O, no=1809, id=1287
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   41 and name   HA) 3.139 1.182 1.182 ! spec=Noesy-H2O, no=1810, id=1288
assign (segid "    " and resid   41 and name  HG2) (segid "    " and resid   40 and name   HA) 3.407 1.393 1.393 ! spec=Noesy-H2O, no=1811, id=1289
assign (segid "    " and resid   41 and name  HG1) (segid "    " and resid   40 and name   HA) 3.409 1.394 1.394 ! spec=Noesy-H2O, no=1812, id=1290
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   59 and name  HB2) 3.121 1.169 1.169 ! spec=Noesy-H2O, no=1813, id=1291
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   59 and name  HB1) 2.845 0.971 0.971 ! spec=Noesy-H2O, no=1814, id=1292
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   30 and name   HA) 3.255 1.271 1.271 ! spec=Noesy-H2O, no=1816, id=1294
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   59 and name  HB2) 3.068 1.130 1.130 ! spec=Noesy-H2O, no=1817, id=1295
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   59 and name  HB1) 3.008 1.086 1.086 ! spec=Noesy-H2O, no=1818, id=1296
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   34 and name   HA) 3.226 1.249 1.249 ! spec=Noesy-H2O, no=1819, id=1297
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   52 and name HG21) 2.624 0.826 0.826 ! spec=Noesy-H2O, no=1820, id=1298
    or (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   52 and name HG23)
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   52 and name   HA) 3.267 1.281 1.281 ! spec=Noesy-H2O, no=1821, id=1299
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   52 and name   HB) 3.009 1.086 1.086 ! spec=Noesy-H2O, no=1822, id=1300
assign (segid "    " and resid   47 and name HG22) (segid "    " and resid   52 and name   HA) 2.585 0.802 0.802 ! spec=Noesy-H2O, no=1823, id=1301
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   52 and name   HA)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   52 and name   HA)
assign (segid "    " and resid   47 and name HG12) (segid "    " and resid   52 and name   HA) 2.553 0.782 0.782 ! spec=Noesy-H2O, no=1824, id=1302
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   52 and name   HA)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   52 and name   HA)
assign (segid "    " and resid   47 and name HG12) (segid "    " and resid   52 and name HG21) 2.535 0.771 0.771 ! spec=Noesy-H2O, no=1825, id=1303
    or (segid "    " and resid   47 and name HG12) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   47 and name HG12) (segid "    " and resid   52 and name HG23)
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   52 and name HG21)
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   47 and name HG11) (segid "    " and resid   52 and name HG23)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   52 and name HG21)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   47 and name HG13) (segid "    " and resid   52 and name HG23)
assign (segid "    " and resid   47 and name HG22) (segid "    " and resid   55 and name  HB2) 2.593 0.807 0.807 ! spec=Noesy-H2O, no=1828, id=1306
    or (segid "    " and resid   47 and name HG22) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   47 and name HG22) (segid "    " and resid   55 and name  HB3)
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   55 and name  HB2)
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   55 and name  HB3)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   55 and name  HB2)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   30 and name  HH2) (segid "    " and resid   52 and name HG21) 3.389 1.379 1.379 ! spec=Noesy-H2O, no=1830, id=1308
    or (segid "    " and resid   30 and name  HH2) (segid "    " and resid   52 and name HG22)
    or (segid "    " and resid   30 and name  HH2) (segid "    " and resid   52 and name HG23)
assign (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   55 and name  HB2) 2.571 0.793 0.793 ! spec=Noesy-H2O, no=1832, id=1310
    or (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   30 and name  HZ2) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   30 and name  HH2) (segid "    " and resid   55 and name  HB2) 2.469 0.731 0.731 ! spec=Noesy-H2O, no=1833, id=1311
    or (segid "    " and resid   30 and name  HH2) (segid "    " and resid   55 and name  HB1)
    or (segid "    " and resid   30 and name  HH2) (segid "    " and resid   55 and name  HB3)
assign (segid "    " and resid   15 and name  HD1) (segid "    " and resid   46 and name  HE1) 3.241 1.260 1.260 ! spec=Noesy-H2O, no=1835, id=1313
    or (segid "    " and resid   15 and name  HD1) (segid "    " and resid   46 and name  HE2)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   46 and name  HE1)
    or (segid "    " and resid   15 and name  HD2) (segid "    " and resid   46 and name  HE2)
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   19 and name HG12) 3.194 1.224 1.224 ! spec=Noesy-H2O, no=1840, id=1314
    or (segid "    " and resid   62 and name   HN) (segid "    " and resid   19 and name HG11)
    or (segid "    " and resid   62 and name   HN) (segid "    " and resid   19 and name HG13)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   59 and name   HA) 2.622 0.825 0.825 ! spec=Noesy-H2O, no=1842, id=1316
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   59 and name   HA)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   59 and name   HA)
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   59 and name   HA) 2.928 1.029 1.029 ! spec=Noesy-H2O, no=1843, id=1317
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   59 and name   HA)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   59 and name   HA)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   23 and name   HB) 3.077 1.136 1.136 ! spec=Noesy-H2O, no=1844, id=1318
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   23 and name   HB)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   23 and name   HB)
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   23 and name   HB) 3.042 1.110 1.110 ! spec=Noesy-H2O, no=1845, id=1319
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   23 and name   HB)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   23 and name   HB)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   23 and name HG22) 2.629 0.829 0.829 ! spec=Noesy-H2O, no=1848, id=1322
    or (segid "    " and resid   19 and name HG22) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   19 and name HG22) (segid "    " and resid   23 and name HG23)
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   23 and name HG22)
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   23 and name HG23)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   23 and name HG22)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   19 and name HG22) (segid "    " and resid   62 and name  HB1) 2.889 1.001 1.001 ! spec=Noesy-H2O, no=1855, id=1329
    or (segid "    " and resid   19 and name HG21) (segid "    " and resid   62 and name  HB1)
    or (segid "    " and resid   19 and name HG23) (segid "    " and resid   62 and name  HB1)
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   62 and name  HB1) 3.192 1.223 1.223 ! spec=Noesy-H2O, no=1856, id=1330
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   62 and name  HB1)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   62 and name  HB1)
assign (segid "    " and resid   19 and name HG12) (segid "    " and resid   62 and name  HB2) 2.278 0.623 0.623 ! spec=Noesy-H2O, no=1858, id=1332
    or (segid "    " and resid   19 and name HG11) (segid "    " and resid   62 and name  HB2)
    or (segid "    " and resid   19 and name HG13) (segid "    " and resid   62 and name  HB2)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HD12) 3.600 1.556 1.556 ! spec=Noesy-H2O, no=1862, id=1335
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HD11)
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name HD13)
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD12) 2.382 0.681 0.681 ! spec=Noesy-H2O, no=1863, id=1336
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD11)
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD13)
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD22) 2.801 0.941 0.941 ! spec=Noesy-H2O, no=1864, id=1337
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD21)
    or (segid "    " and resid   62 and name  HD1) (segid "    " and resid   66 and name HD23)
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD22) 2.454 0.723 0.723 ! spec=Noesy-H2O, no=1865, id=1338
    or (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD21)
    or (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD23)
assign (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD12) 2.825 0.958 0.958 ! spec=Noesy-H2O, no=1866, id=1339
    or (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD11)
    or (segid "    " and resid   62 and name  HE1) (segid "    " and resid   66 and name HD13)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   41 and name   HA) 2.825 0.958 0.958 ! spec=Noesy-H2O, no=1867, id=1340
assign (segid "    " and resid   66 and name   HG) (segid "    " and resid   63 and name   HA) 2.785 0.931 0.931 ! spec=Noesy-H2O, no=1869, id=1342
assign (segid "    " and resid   23 and name HG22) (segid "    " and resid   19 and name   HA) 2.856 0.979 0.979 ! spec=Noesy-H2O, no=1878, id=1347
    or (segid "    " and resid   23 and name HG21) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   23 and name HG23) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   33 and name   HA) 2.781 0.928 0.928 ! spec=Noesy-H2O, no=1880, id=1349
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   33 and name   HA) 2.820 0.954 0.954 ! spec=Noesy-H2O, no=1881, id=1350
assign (segid "    " and resid   68 and name  HE1) (segid "    " and resid   67 and name  HE2) 2.613 0.819 0.819 ! spec=Noesy-H2O, no=1888, id=1357
assign (segid "    " and resid   22 and name HG22) (segid "    " and resid   33 and name HG12) 3.822 1.753 1.753 ! spec=Noesy-H2O, no=1893, id=1362
    or (segid "    " and resid   22 and name HG22) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   22 and name HG22) (segid "    " and resid   33 and name HG13)
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   33 and name HG12)
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   22 and name HG21) (segid "    " and resid   33 and name HG13)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   33 and name HG12)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   33 and name HG11)
    or (segid "    " and resid   22 and name HG23) (segid "    " and resid   33 and name HG13)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HD1) 2.730 0.894 0.894 ! spec=Noesy-H2O, no=1898, id=1367
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HD2)
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   14 and name   HN) 3.248 1.266 1.266 ! spec=Noesy-H2O, no=1899, id=1368
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HD1) 3.046 1.114 1.114 ! spec=Noesy-H2O, no=1901, id=1369
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HN) 2.643 0.838 0.838 ! spec=Noesy-H2O, no=1902, id=1370
assign (segid "    " and resid   44 and name HE21) (segid "    " and resid   43 and name  HD1) 3.154 1.194 1.194 ! spec=Noesy-H2O, no=1903, id=1371
    or (segid "    " and resid   44 and name HE21) (segid "    " and resid   43 and name  HD2)
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   27 and name HD22) 2.929 1.030 1.030 ! spec=Noesy-H2O, no=1905, id=1372
assign (segid "    " and resid    7 and name HE21) (segid "    " and resid    7 and name   HA) 3.258 1.273 1.273 ! spec=Noesy-H2O, no=1906, id=1373
assign (segid "    " and resid    7 and name HE21) (segid "    " and resid    7 and name  HG2) 2.776 0.925 0.925 ! spec=Noesy-H2O, no=1907, id=1374
assign (segid "    " and resid    7 and name HE21) (segid "    " and resid    7 and name  HG1) 2.969 1.058 1.058 ! spec=Noesy-H2O, no=1908, id=1375
assign (segid "    " and resid    7 and name HE22) (segid "    " and resid    7 and name  HG2) 2.859 0.981 0.981 ! spec=Noesy-H2O, no=1909, id=1376
assign (segid "    " and resid    7 and name HE22) (segid "    " and resid    7 and name  HG1) 2.756 0.911 0.911 ! spec=Noesy-H2O, no=1910, id=1377
assign (segid "    " and resid    7 and name HE21) (segid "    " and resid    7 and name HE22) 1.749 0.367 0.367 ! spec=Noesy-H2O, no=1911, id=1378
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HN) 3.077 1.136 1.136 ! spec=Noesy-H2O, no=1913, id=1379
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HN) 2.529 0.768 0.768 ! spec=Noesy-H2O, no=1914, id=1380
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   68 and name   HN) 2.762 0.915 0.915 ! spec=Noesy-H2O, no=1916, id=1381
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HE3) 2.691 0.869 0.869 ! spec=Noesy-H2O, no=1917, id=1382
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   63 and name HD12) 2.461 0.727 0.727 ! spec=Noesy-H2O, no=1921, id=1383
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   63 and name HD11)
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   63 and name HD13)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   63 and name HD12)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   63 and name HD11)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   63 and name HD13)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   60 and name HD12) 2.974 1.062 1.062 ! spec=Noesy-H2O, no=1925, id=1387
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   59 and name  HE1) (segid "    " and resid   60 and name HD13)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   60 and name HD12)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD12) 2.701 0.876 0.876 ! spec=Noesy-H2O, no=1926, id=1388
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name HD13)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD12)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   18 and name   HG) 3.373 1.365 1.365 ! spec=Noesy-H2O, no=1928, id=1390
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   40 and name  HB1) 3.654 1.602 1.602 ! spec=Noesy-H2O, no=1929, id=1391
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   40 and name  HB2) 3.632 1.583 1.583 ! spec=Noesy-H2O, no=1930, id=1392
assign (segid "    " and resid   18 and name HD22) (segid "    " and resid   40 and name  HB1) 3.693 1.637 1.637 ! spec=Noesy-H2O, no=1931, id=1393
    or (segid "    " and resid   18 and name HD21) (segid "    " and resid   40 and name  HB1)
    or (segid "    " and resid   18 and name HD23) (segid "    " and resid   40 and name  HB1)
assign (segid "    " and resid   18 and name HD12) (segid "    " and resid   40 and name  HB2) 3.066 1.128 1.128 ! spec=Noesy-H2O, no=1933, id=1395
    or (segid "    " and resid   18 and name HD11) (segid "    " and resid   40 and name  HB2)
    or (segid "    " and resid   18 and name HD13) (segid "    " and resid   40 and name  HB2)
assign (segid "    " and resid   18 and name HD12) (segid "    " and resid   40 and name  HB1) 3.067 1.129 1.129 ! spec=Noesy-H2O, no=1934, id=1396
    or (segid "    " and resid   18 and name HD11) (segid "    " and resid   40 and name  HB1)
    or (segid "    " and resid   18 and name HD13) (segid "    " and resid   40 and name  HB1)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   18 and name   HG) 2.906 1.013 1.013 ! spec=Noesy-H2O, no=1936, id=1397
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HG1) 2.987 1.071 1.071 ! spec=Noesy-H2O, no=1938, id=1398
assign (segid "    " and resid   42 and name  HB2) (segid "    " and resid   42 and name   HA) 3.125 1.172 1.172 ! spec=Noesy-H2O, no=1939, id=1399
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB2) 3.012 1.089 1.089 ! spec=Noesy-H2O, no=1940, id=1400
assign (segid "    " and resid   42 and name  HG1) (segid "    " and resid   42 and name   HA) 2.824 0.957 0.957 ! spec=Noesy-H2O, no=1941, id=1401
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   42 and name  HG1) 2.719 0.887 0.887 ! spec=Noesy-H2O, no=1942, id=1402
assign (segid "    " and resid   42 and name  HB2) (segid "    " and resid   42 and name  HG2) 2.963 1.054 1.054 ! spec=Noesy-H2O, no=1944, id=1404
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   42 and name  HB2) 2.643 0.839 0.839 ! spec=Noesy-H2O, no=1947, id=1405
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   42 and name  HB1) 2.750 0.908 0.908 ! spec=Noesy-H2O, no=1948, id=1406
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   42 and name   HA) 2.936 1.034 1.034 ! spec=Noesy-H2O, no=1949, id=1407
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   15 and name   HA) 3.272 1.284 1.284 ! spec=Noesy-H2O, no=1950, id=1408
assign (segid "    " and resid   18 and name HD22) (segid "    " and resid   15 and name   HA) 3.126 1.173 1.173 ! spec=Noesy-H2O, no=1952, id=1410
    or (segid "    " and resid   18 and name HD21) (segid "    " and resid   15 and name   HA)
    or (segid "    " and resid   18 and name HD23) (segid "    " and resid   15 and name   HA)
assign (segid "    " and resid   38 and name  HG2) (segid "    " and resid   38 and name   HA) 3.050 1.117 1.117 ! spec=Noesy-H2O, no=1959, id=1416
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   38 and name   HA) 3.099 1.153 1.153 ! spec=Noesy-H2O, no=1960, id=1417
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name   HA) 2.533 0.770 0.770 ! spec=Noesy-H2O, no=1961, id=1418
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HG2) 2.528 0.767 0.767 ! spec=Noesy-H2O, no=1962, id=1419
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HG1) 2.468 0.731 0.731 ! spec=Noesy-H2O, no=1963, id=1420
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   38 and name  HG2) 2.042 0.501 0.501 ! spec=Noesy-H2O, no=1964, id=1421
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   37 and name  HE2) 2.883 0.997 0.997 ! spec=Noesy-H2O, no=1967, id=1424
    or (segid "    " and resid   30 and name  HE3) (segid "    " and resid   37 and name  HE1)
    or (segid "    " and resid   30 and name  HE3) (segid "    " and resid   37 and name  HE3)
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   37 and name  HE2) 2.545 0.777 0.777 ! spec=Noesy-H2O, no=1968, id=1425
    or (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   37 and name  HE1)
    or (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   37 and name  HE3)
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   56 and name  HB1) 3.316 1.319 1.319 ! spec=Noesy-H2O, no=1974, id=1431
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   56 and name  HD1) 3.298 1.305 1.305 ! spec=Noesy-H2O, no=1975, id=1432
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   56 and name  HB2) 3.309 1.314 1.314 ! spec=Noesy-H2O, no=1976, id=1433
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   53 and name   HA) 2.862 0.983 0.983 ! spec=Noesy-H2O, no=1978, id=1435
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   53 and name   HA) 2.380 0.680 0.680 ! spec=Noesy-H2O, no=1979, id=1436
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   56 and name   HA) 2.913 1.018 1.018 ! spec=Noesy-H2O, no=1981, id=1437
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   56 and name   HA)
assign (segid "    " and resid   30 and name  HZ3) (segid "    " and resid   56 and name   HA) 3.157 1.196 1.196 ! spec=Noesy-H2O, no=1982, id=1438
assign (segid "    " and resid   30 and name  HE3) (segid "    " and resid   56 and name   HA) 3.364 1.358 1.358 ! spec=Noesy-H2O, no=1983, id=1439
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   52 and name   HA) 3.407 1.393 1.393 ! spec=Noesy-H2O, no=1984, id=1440
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   47 and name   HA) 2.964 1.054 1.054 ! spec=Noesy-H2O, no=1985, id=1441
    or (segid "    " and resid   55 and name  HB1) (segid "    " and resid   47 and name   HA)
    or (segid "    " and resid   55 and name  HB3) (segid "    " and resid   47 and name   HA)
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   46 and name   HA) 3.089 1.145 1.145 ! spec=Noesy-H2O, no=1987, id=1442
assign (segid "    " and resid   47 and name HG22) (segid "    " and resid   44 and name   HA) 3.146 1.187 1.187 ! spec=Noesy-H2O, no=1990, id=1445
    or (segid "    " and resid   47 and name HG21) (segid "    " and resid   44 and name   HA)
    or (segid "    " and resid   47 and name HG23) (segid "    " and resid   44 and name   HA)
assign (segid "    " and resid   47 and name   HB) (segid "    " and resid   44 and name   HA) 3.059 1.123 1.123 ! spec=Noesy-H2O, no=1992, id=1447
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   55 and name   HA) 2.868 0.987 0.987 ! spec=Noesy-H2O, no=1994, id=1449
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   55 and name   HA)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   55 and name   HA)
assign (segid "    " and resid   58 and name   HG) (segid "    " and resid   55 and name   HA) 2.888 1.001 1.001 ! spec=Noesy-H2O, no=1995, id=1450
assign (segid "    " and resid   49 and name HD12) (segid "    " and resid   11 and name  HB2) 2.947 1.042 1.042 ! spec=Noesy-H2O, no=2003, id=1457
    or (segid "    " and resid   49 and name HD12) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   49 and name HD12) (segid "    " and resid   11 and name  HB3)
    or (segid "    " and resid   49 and name HD11) (segid "    " and resid   11 and name  HB2)
    or (segid "    " and resid   49 and name HD11) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   49 and name HD11) (segid "    " and resid   11 and name  HB3)
    or (segid "    " and resid   49 and name HD13) (segid "    " and resid   11 and name  HB2)
    or (segid "    " and resid   49 and name HD13) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   49 and name HD13) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   47 and name HG12) 3.287 1.297 1.297 ! spec=Noesy-H2O, no=2006, id=1459
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   47 and name HG11)
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   47 and name HG13)
assign (segid "    " and resid   17 and name  HE1) (segid "    " and resid   21 and name  HG2) 3.333 1.333 1.333 ! spec=Noesy-H2O, no=2007, id=1460
assign (segid "    " and resid   17 and name  HE1) (segid "    " and resid   21 and name  HG1) 3.395 1.383 1.383 ! spec=Noesy-H2O, no=2008, id=1461
assign (segid "    " and resid   17 and name  HE1) (segid "    " and resid   21 and name  HD2) 3.297 1.305 1.305 ! spec=Noesy-H2O, no=2009, id=1462
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD22) 3.218 1.243 1.243 ! spec=Noesy-H2O, no=2011, id=1464
    or (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD21)
    or (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD23)
assign (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD12) 3.538 1.502 1.502 ! spec=Noesy-H2O, no=2012, id=1465
    or (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD11)
    or (segid "    " and resid   30 and name  HE1) (segid "    " and resid   31 and name HD13)
assign (segid "    " and resid   17 and name  HZ2) (segid "    " and resid   21 and name  HD2) 3.115 1.164 1.164 ! spec=Noesy-H2O, no=2013, id=1466
assign (segid "    " and resid   17 and name  HZ2) (segid "    " and resid   21 and name  HD1) 3.039 1.108 1.108 ! spec=Noesy-H2O, no=2014, id=1467
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   62 and name   HA) 2.597 0.810 0.810 ! spec=Noesy-H2O, no=2017, id=1469
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   62 and name   HA) 2.967 1.056 1.056 ! spec=Noesy-H2O, no=2018, id=1470
assign (segid "    " and resid   63 and name HG22) (segid "    " and resid   26 and name  HB1) 2.418 0.702 0.702 ! spec=Noesy-H2O, no=2022, id=1473
    or (segid "    " and resid   63 and name HG21) (segid "    " and resid   26 and name  HB1)
    or (segid "    " and resid   63 and name HG23) (segid "    " and resid   26 and name  HB1)
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   26 and name  HB2) 2.280 0.624 0.624 ! spec=Noesy-H2O, no=2030, id=1479
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   26 and name  HB2)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   26 and name  HB2)
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   26 and name  HB1) 2.789 0.934 0.934 ! spec=Noesy-H2O, no=2032, id=1481
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   67 and name  HB2) 3.017 1.092 1.092 ! spec=Noesy-H2O, no=2035, id=1482
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   67 and name  HD2) 3.015 1.091 1.091 ! spec=Noesy-H2O, no=2036, id=1483
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   65 and name   HA) 2.509 0.756 0.756 ! spec=Noesy-H2O, no=2041, id=1485
assign (segid "    " and resid   59 and name   HZ) (segid "    " and resid   29 and name   HA) 2.927 1.028 1.028 ! spec=Noesy-H2O, no=2043, id=1487
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   29 and name   HA) 3.116 1.165 1.165 ! spec=Noesy-H2O, no=2044, id=1488
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   29 and name   HA)
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   40 and name  HB2) 2.788 0.933 0.933 ! spec=Noesy-H2O, no=2045, id=1489
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   40 and name  HB1) 2.614 0.820 0.820 ! spec=Noesy-H2O, no=2046, id=1490
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name   HA) 3.355 1.351 1.351 ! spec=Noesy-H2O, no=2047, id=1491
assign (segid "    " and resid    3 and name  HG1) (segid "    " and resid    3 and name   HA) 3.048 1.115 1.115 ! spec=Noesy-H2O, no=2048, id=1492
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HA) 3.242 1.261 1.261 ! spec=Noesy-H2O, no=2049, id=1493
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG2) 3.508 1.477 1.477 ! spec=Noesy-H2O, no=2050, id=1494
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG1) 3.489 1.461 1.461 ! spec=Noesy-H2O, no=2051, id=1495
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HB2) 3.476 1.450 1.450 ! spec=Noesy-H2O, no=2052, id=1496
assign (segid "    " and resid    6 and name HE21) (segid "    " and resid    6 and name HE22) 1.685 0.341 0.341 ! spec=Noesy-H2O, no=2053, id=1497
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HA) 2.880 0.996 0.996 ! spec=Noesy-H2O, no=2054, id=1498
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name   HA) 2.960 1.051 1.051 ! spec=Noesy-H2O, no=2055, id=1499
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name   HA) 3.203 1.231 1.231 ! spec=Noesy-H2O, no=2056, id=1500
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   10 and name   HA) 2.580 0.799 0.799 ! spec=Noesy-H2O, no=2057, id=1501
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HB) 3.265 1.279 1.279 ! spec=Noesy-H2O, no=2059, id=1503
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   11 and name   HA) 3.192 1.223 1.223 ! spec=Noesy-H2O, no=2061, id=1504
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   42 and name   HA) 3.131 1.176 1.176 ! spec=Noesy-H2O, no=2062, id=1505
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   11 and name   HA) 2.882 0.997 0.997 ! spec=Noesy-H2O, no=2063, id=1506
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name  HB2) 3.122 1.170 1.170 ! spec=Noesy-H2O, no=2064, id=1507
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   16 and name  HG2) 2.947 1.042 1.042 ! spec=Noesy-H2O, no=2065, id=1508
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   16 and name  HG2)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   16 and name  HG2)
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   16 and name  HG2) 3.290 1.299 1.299 ! spec=Noesy-H2O, no=2066, id=1509
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   16 and name  HG2)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   16 and name  HG2)
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   16 and name  HG1) 2.304 0.637 0.637 ! spec=Noesy-H2O, no=2067, id=1510
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   16 and name  HG1)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   16 and name  HG1)
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   16 and name   HA) 3.267 1.281 1.281 ! spec=Noesy-H2O, no=2069, id=1512
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   16 and name   HA) 3.577 1.535 1.535 ! spec=Noesy-H2O, no=2070, id=1513
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   13 and name   HA) 2.844 0.971 0.971 ! spec=Noesy-H2O, no=2073, id=1516
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   14 and name   HA) 2.808 0.946 0.946 ! spec=Noesy-H2O, no=2074, id=1517
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   18 and name   HA) 2.797 0.939 0.939 ! spec=Noesy-H2O, no=2075, id=1518
assign (segid "    " and resid   17 and name  HD1) (segid "    " and resid   18 and name   HA) 3.210 1.236 1.236 ! spec=Noesy-H2O, no=2077, id=1519
assign (segid "    " and resid   17 and name  HZ3) (segid "    " and resid   18 and name   HA) 3.334 1.334 1.334 ! spec=Noesy-H2O, no=2078, id=1520
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name   HA) 3.095 1.150 1.150 ! spec=Noesy-H2O, no=2079, id=1521
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.133 0.546 0.546 ! spec=Noesy-H2O, no=2081, id=1522
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name   HB) 2.453 0.722 0.722 ! spec=Noesy-H2O, no=2082, id=1523
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   18 and name   HA) 3.003 1.082 1.082 ! spec=Noesy-H2O, no=2086, id=1527
assign (segid "    " and resid   21 and name  HG2) (segid "    " and resid   18 and name   HA) 3.004 1.083 1.083 ! spec=Noesy-H2O, no=2087, id=1528
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   18 and name   HA) 2.849 0.974 0.974 ! spec=Noesy-H2O, no=2088, id=1529
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HA) 2.343 0.659 0.659 ! spec=Noesy-H2O, no=2089, id=1530
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   31 and name   HA) 2.963 1.054 1.054 ! spec=Noesy-H2O, no=2091, id=1532
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   33 and name   HA) 2.976 1.062 1.062 ! spec=Noesy-H2O, no=2092, id=1533
assign (segid "    " and resid   36 and name  HG2) (segid "    " and resid   33 and name   HA) 2.786 0.932 0.932 ! spec=Noesy-H2O, no=2093, id=1534
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   34 and name   HA) 2.916 1.020 1.020 ! spec=Noesy-H2O, no=2094, id=1535
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   34 and name   HA) 2.498 0.749 0.749 ! spec=Noesy-H2O, no=2095, id=1536
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   35 and name   HA) 3.078 1.137 1.137 ! spec=Noesy-H2O, no=2098, id=1539
assign (segid "    " and resid   38 and name  HG2) (segid "    " and resid   35 and name   HA) 3.122 1.170 1.170 ! spec=Noesy-H2O, no=2099, id=1540
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   54 and name   HA) 1.997 0.479 0.479 ! spec=Noesy-H2O, no=2102, id=1542
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   55 and name   HA) 3.320 1.322 1.322 ! spec=Noesy-H2O, no=2103, id=1543
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   55 and name   HA) 2.721 0.888 0.888 ! spec=Noesy-H2O, no=2104, id=1544
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   57 and name   HA) 2.425 0.706 0.706 ! spec=Noesy-H2O, no=2105, id=1545
assign (segid "    " and resid   60 and name  HB1) (segid "    " and resid   57 and name   HA) 2.837 0.966 0.966 ! spec=Noesy-H2O, no=2106, id=1546
assign (segid "    " and resid   60 and name   HG) (segid "    " and resid   57 and name   HA) 2.403 0.693 0.693 ! spec=Noesy-H2O, no=2107, id=1547
assign (segid "    " and resid   60 and name HD22) (segid "    " and resid   57 and name   HA) 3.015 1.091 1.091 ! spec=Noesy-H2O, no=2108, id=1548
    or (segid "    " and resid   60 and name HD21) (segid "    " and resid   57 and name   HA)
    or (segid "    " and resid   60 and name HD23) (segid "    " and resid   57 and name   HA)
assign (segid "    " and resid   63 and name   HB) (segid "    " and resid   60 and name   HA) 2.638 0.835 0.835 ! spec=Noesy-H2O, no=2110, id=1550
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG12) 2.832 0.962 0.962 ! spec=Noesy-H2O, no=2112, id=1551
assign (segid "    " and resid   63 and name HG12) (segid "    " and resid   63 and name   HA) 2.456 0.724 0.724 ! spec=Noesy-H2O, no=2114, id=1552
assign (segid "    " and resid   63 and name HD12) (segid "    " and resid   63 and name HG12) 2.145 0.552 0.552 ! spec=Noesy-H2O, no=2115, id=1553
    or (segid "    " and resid   63 and name HD11) (segid "    " and resid   63 and name HG12)
    or (segid "    " and resid   63 and name HD13) (segid "    " and resid   63 and name HG12)
assign (segid "    " and resid   63 and name HG12) (segid "    " and resid   60 and name   HA) 2.405 0.694 0.694 ! spec=Noesy-H2O, no=2119, id=1556
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HD2) 2.747 0.905 0.905 ! spec=Noesy-H2O, no=2121, id=1557
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HD1) 2.610 0.818 0.818 ! spec=Noesy-H2O, no=2122, id=1558
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name   HA) 2.243 0.604 0.604 ! spec=Noesy-H2O, no=2123, id=1559
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   63 and name   HA) 3.645 1.594 1.594 ! spec=Noesy-H2O, no=2125, id=1560
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   28 and name  HG1) 3.358 1.353 1.353 ! spec=Noesy-H2O, no=2128, id=1562
    or (segid "    " and resid   33 and name HG11) (segid "    " and resid   28 and name  HG1)
    or (segid "    " and resid   33 and name HG13) (segid "    " and resid   28 and name  HG1)
assign (segid "    " and resid   33 and name HG12) (segid "    " and resid   28 and name  HG2) 3.056 1.121 1.121 ! spec=Noesy-H2O, no=2130, id=1564
    or (segid "    " and resid   33 and name HG11) (segid "    " and resid   28 and name  HG2)
    or (segid "    " and resid   33 and name HG13) (segid "    " and resid   28 and name  HG2)
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid    9 and name   HA) 3.195 1.225 1.225 ! spec=Noesy-H2O, no=2137, id=1570
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid    9 and name   HA) 3.191 1.222 1.222 ! spec=Noesy-H2O, no=2138, id=1571
assign (segid "    " and resid   66 and name HD12) (segid "    " and resid   24 and name   HA) 3.069 1.130 1.130 ! spec=Noesy-H2O, no=2139, id=1572
    or (segid "    " and resid   66 and name HD11) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   66 and name HD13) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   32 and name  HB2) 5.009 3.011 3.011 ! spec=Noesy-H2O, no=2142, id=1574
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   32 and name  HB1) 2.972 1.060 1.060 ! spec=Noesy-H2O, no=2143, id=1575
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   32 and name   HA) 3.526 1.492 1.492 ! spec=Noesy-H2O, no=2144, id=1576
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   42 and name  HG1) 3.007 1.085 1.085 ! spec=Noesy-H2O, no=2149, id=1579
assign (segid "    " and resid   18 and name   HG) (segid "    " and resid   42 and name  HG2) 3.237 1.257 1.257 ! spec=Noesy-H2O, no=2150, id=1580
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   49 and name   HA) 2.785 0.931 0.931 ! spec=Noesy-H2O, no=2160, id=1582
    or (segid "    " and resid   48 and name  HD2) (segid "    " and resid   49 and name   HA)
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   65 and name   HA) 3.255 1.271 1.271 ! spec=Noesy-H2O, no=2162, id=1583
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name   HA) 3.028 1.101 1.101 ! spec=Noesy-H2O, no=2165, id=1586
assign (segid "    " and resid   59 and name  HD1) (segid "    " and resid   60 and name   HA) 2.981 1.066 1.066 ! spec=Noesy-H2O, no=2166, id=1587
    or (segid "    " and resid   59 and name  HD2) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   65 and name  HB1) 2.937 1.035 1.035 ! spec=Noesy-H2O, no=2169, id=1588
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   65 and name  HG2) 2.937 1.035 1.035 ! spec=Noesy-H2O, no=2170, id=1589
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   65 and name  HG1) 3.058 1.122 1.122 ! spec=Noesy-H2O, no=2171, id=1590
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   65 and name  HB2) 3.308 1.313 1.313 ! spec=Noesy-H2O, no=2172, id=1591
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   69 and name   HA) 2.695 0.872 0.872 ! spec=Noesy-H2O, no=2173, id=1592
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   67 and name  HE2) 3.311 1.316 1.316 ! spec=Noesy-H2O, no=2174, id=1593
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   69 and name  HG2) 3.263 1.278 1.278 ! spec=Noesy-H2O, no=2175, id=1594
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   66 and name  HB2) 3.160 1.198 1.198 ! spec=Noesy-H2O, no=2177, id=1595
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   14 and name  HG2) 2.971 1.059 1.059 ! spec=Noesy-H2O, no=2186, id=1598
assign (segid "    " and resid   17 and name  HZ3) (segid "    " and resid   14 and name  HG2) 2.640 0.837 0.837 ! spec=Noesy-H2O, no=2188, id=1599
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   33 and name   HB) 3.230 1.252 1.252 ! spec=Noesy-H2O, no=2191, id=1602
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name   HN) 2.625 0.827 0.827 ! spec=Noesy-H2O, no=2194, id=1604
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name  HD1) 3.397 1.384 1.384 ! spec=Noesy-H2O, no=2195, id=1605
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HB2) 2.965 1.055 1.055 ! spec=Noesy-H2O, no=2203, id=1608
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HG1) 3.327 1.329 1.329 ! spec=Noesy-H2O, no=2204, id=1609
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name  HG2) 3.501 1.471 1.471 ! spec=Noesy-H2O, no=2205, id=1610
assign (segid "    " and resid   30 and name  HD1) (segid "    " and resid   31 and name   HG) 2.992 1.074 1.074 ! spec=Noesy-H2O, no=2207, id=1611
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   62 and name   HA) 3.012 1.088 1.088 ! spec=Noesy-H2O, no=2210, id=1614
assign (segid "    " and resid   44 and name HE22) (segid "    " and resid   44 and name  HG2) 2.901 1.010 1.010 ! spec=Noesy-H2O, no=2213, id=1616
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   21 and name  HB1) 3.241 1.260 1.260 ! spec=Noesy-H2O, no=2215, id=1618
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   21 and name  HB2) 3.241 1.261 1.261 ! spec=Noesy-H2O, no=2216, id=1619
assign (segid "    " and resid   17 and name  HZ3) (segid "    " and resid   18 and name HD22) 2.770 0.921 0.921 ! spec=Noesy-H2O, no=2218, id=1621
    or (segid "    " and resid   17 and name  HZ3) (segid "    " and resid   18 and name HD21)
    or (segid "    " and resid   17 and name  HZ3) (segid "    " and resid   18 and name HD23)
assign (segid "    " and resid   17 and name  HH2) (segid "    " and resid   18 and name HD22) 3.253 1.270 1.270 ! spec=Noesy-H2O, no=2219, id=1622
    or (segid "    " and resid   17 and name  HH2) (segid "    " and resid   18 and name HD21)
    or (segid "    " and resid   17 and name  HH2) (segid "    " and resid   18 and name HD23)
assign (segid "    " and resid   17 and name  HE3) (segid "    " and resid   18 and name HD22) 2.817 0.952 0.952 ! spec=Noesy-H2O, no=2220, id=1623
    or (segid "    " and resid   17 and name  HE3) (segid "    " and resid   18 and name HD21)
    or (segid "    " and resid   17 and name  HE3) (segid "    " and resid   18 and name HD23)
assign (segid "    " and resid   64 and name  HE1) (segid "    " and resid   68 and name  HD1) 2.560 0.786 0.786 ! spec=Noesy-H2O, no=2222, id=1625
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   37 and name  HG2) 3.304 1.310 1.310 ! spec=Noesy-H2O, no=2223, id=1626
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   37 and name  HG2)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   37 and name  HB1) 3.090 1.146 1.146 ! spec=Noesy-H2O, no=2224, id=1627
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   37 and name  HB2) 3.019 1.094 1.094 ! spec=Noesy-H2O, no=2225, id=1628
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   37 and name  HB2)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HB) 3.128 1.174 1.174 ! spec=Noesy-H2O, no=2228, id=1631
assign (segid "    " and resid   59 and name   HZ) (segid "    " and resid   28 and name  HB2) 3.195 1.225 1.225 ! spec=Noesy-H2O, no=2229, id=1632
assign (segid "    " and resid   59 and name   HZ) (segid "    " and resid   28 and name  HB1) 2.859 0.981 0.981 ! spec=Noesy-H2O, no=2230, id=1633
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   28 and name  HB2) 3.482 1.455 1.455 ! spec=Noesy-H2O, no=2231, id=1634
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   28 and name  HB1) 3.090 1.146 1.146 ! spec=Noesy-H2O, no=2232, id=1635
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   63 and name   HA) 2.976 1.062 1.062 ! spec=Noesy-H2O, no=2237, id=1637
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   63 and name HG12) 3.059 1.123 1.123 ! spec=Noesy-H2O, no=2238, id=1638
assign (segid "    " and resid   62 and name  HD1) (segid "    " and resid   20 and name  HB1) 3.362 1.356 1.356 ! spec=Noesy-H2O, no=2239, id=1639
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HD1) 3.345 1.343 1.343 ! spec=Noesy-H2O, no=2241, id=1640
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG22) 3.338 1.337 1.337 ! spec=Noesy-H2O, no=2243, id=1642
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG21)
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG23)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG12) 3.472 1.446 1.446 ! spec=Noesy-H2O, no=2244, id=1643
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG11)
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name HG13)
assign (segid "    " and resid   23 and name HG22) (segid "    " and resid   28 and name  HG2) 3.023 1.096 1.096 ! spec=Noesy-H2O, no=2246, id=1644
    or (segid "    " and resid   23 and name HG21) (segid "    " and resid   28 and name  HG2)
    or (segid "    " and resid   23 and name HG23) (segid "    " and resid   28 and name  HG2)
assign (segid "    " and resid   23 and name HG22) (segid "    " and resid   28 and name  HB2) 2.959 1.051 1.051 ! spec=Noesy-H2O, no=2250, id=1647
    or (segid "    " and resid   23 and name HG21) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   23 and name HG23) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   28 and name  HB2) 3.246 1.265 1.265 ! spec=Noesy-H2O, no=2252, id=1649
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   33 and name HG22) (segid "    " and resid   28 and name  HB1) 2.379 0.679 0.679 ! spec=Noesy-H2O, no=2253, id=1650
    or (segid "    " and resid   33 and name HG21) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   33 and name HG23) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   59 and name  HE1) (segid "    " and resid   30 and name  HE3) 3.073 1.133 1.133 ! spec=Noesy-H2O, no=2261, id=1652
    or (segid "    " and resid   59 and name  HE2) (segid "    " and resid   30 and name  HE3)
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HA) 2.864 0.984 0.984 ! spec=Noesy-H2O, no=2264, id=1653
assign (segid "    " and resid   68 and name  HE1) (segid "    " and resid   64 and name   HA) 2.753 0.910 0.910 ! spec=Noesy-H2O, no=2267, id=1654
assign (segid "    " and resid   64 and name  HD1) (segid "    " and resid   68 and name  HD1) 2.616 0.821 0.821 ! spec=Noesy-H2O, no=2268, id=1655
assign (segid "    " and resid   64 and name  HE1) (segid "    " and resid   64 and name  HD1) 2.411 0.697 0.697 ! spec=Noesy-H2O, no=2269, id=1656
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name HD21) 3.375 1.367 1.367 ! spec=Noesy-H2O, no=2273, id=1658
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB1) 3.356 1.352 1.352 ! spec=Noesy-H2O, no=2274, id=1659
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HB2) 2.191 0.576 0.576 ! spec=Noesy-H2O, no=2279, id=1661
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   37 and name  HG1) 2.501 0.751 0.751 ! spec=Noesy-H2O, no=2280, id=1662
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   37 and name  HG1)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   37 and name  HG1)
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   37 and name  HG2) 2.804 0.943 0.943 ! spec=Noesy-H2O, no=2281, id=1663
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   37 and name  HG2)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   37 and name  HG2)
assign (segid "    " and resid   60 and name HD22) (segid "    " and resid   56 and name  HE2) 3.276 1.288 1.288 ! spec=Noesy-H2O, no=2284, id=1666
    or (segid "    " and resid   60 and name HD21) (segid "    " and resid   56 and name  HE2)
    or (segid "    " and resid   60 and name HD23) (segid "    " and resid   56 and name  HE2)
assign (segid "    " and resid   12 and name  HE1) (segid "    " and resid   12 and name  HE2) 1.994 0.477 0.477 ! spec=Noesy-H2O, no=2286, id=1668
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   12 and name  HE1) 2.479 0.738 0.738 ! spec=Noesy-H2O, no=2287, id=1669
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   12 and name  HE1)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   12 and name  HE1)
assign (segid "    " and resid   58 and name HD22) (segid "    " and resid   12 and name  HE2) 2.635 0.833 0.833 ! spec=Noesy-H2O, no=2288, id=1670
    or (segid "    " and resid   58 and name HD21) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   58 and name HD23) (segid "    " and resid   12 and name  HE2)
assign (segid "    " and resid   58 and name HD12) (segid "    " and resid   12 and name  HE2) 2.749 0.907 0.907 ! spec=Noesy-H2O, no=2289, id=1671
    or (segid "    " and resid   58 and name HD11) (segid "    " and resid   12 and name  HE2)
    or (segid "    " and resid   58 and name HD13) (segid "    " and resid   12 and name  HE2)
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE2) 3.073 1.133 1.133 ! spec=Noesy-H2O, no=2290, id=1672
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HE1) 2.867 0.987 0.987 ! spec=Noesy-H2O, no=2291, id=1673
assign (segid "    " and resid   49 and name HD22) (segid "    " and resid    7 and name  HG2) 2.807 0.946 0.946 ! spec=Noesy-H2O, no=2299, id=1681
    or (segid "    " and resid   49 and name HD21) (segid "    " and resid    7 and name  HG2)
    or (segid "    " and resid   49 and name HD23) (segid "    " and resid    7 and name  HG2)
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   38 and name  HG2) 3.359 1.354 1.354 ! spec=Noesy-H2O, no=2304, id=1684
    or (segid "    " and resid   39 and name  HB1) (segid "    " and resid   38 and name  HG2)
    or (segid "    " and resid   39 and name  HB3) (segid "    " and resid   38 and name  HG2)
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   38 and name  HG1) 3.388 1.377 1.377 ! spec=Noesy-H2O, no=2305, id=1685
    or (segid "    " and resid   39 and name  HB1) (segid "    " and resid   38 and name  HG1)
    or (segid "    " and resid   39 and name  HB3) (segid "    " and resid   38 and name  HG1)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   45 and name  HB1) 3.369 1.362 1.362 ! spec=Noesy-H2O, no=2308, id=1688
    or (segid "    " and resid   11 and name  HB1) (segid "    " and resid   45 and name  HB1)
    or (segid "    " and resid   11 and name  HB3) (segid "    " and resid   45 and name  HB1)
assign (segid "    " and resid   67 and name  HD2) (segid "    " and resid   64 and name   HA) 2.766 0.918 0.918 ! spec=Noesy-H2O, no=2313, id=1693
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   66 and name  HB1) 2.839 0.967 0.967 ! spec=Noesy-H2O, no=2316, id=1695
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   67 and name  HE2) 3.255 1.271 1.271 ! spec=Noesy-H2O, no=2317, id=1696
assign (segid "    " and resid   22 and name HD12) (segid "    " and resid   37 and name   HA) 3.040 1.109 1.109 ! spec=Noesy-H2O, no=2318, id=1697
    or (segid "    " and resid   22 and name HD11) (segid "    " and resid   37 and name   HA)
    or (segid "    " and resid   22 and name HD13) (segid "    " and resid   37 and name   HA)
assign (segid "    " and resid   67 and name  HG2) (segid "    " and resid   67 and name  HE2) 2.556 0.784 0.784 ! spec=Noesy-H2O, no=2319, id=1698
assign (segid "    " and resid   67 and name  HG1) (segid "    " and resid   67 and name  HE2) 2.784 0.930 0.930 ! spec=Noesy-H2O, no=2320, id=1699
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   63 and name HG11) 2.823 0.956 0.956 ! spec=Noesy-H2O, no=2322, id=1700
assign (segid "    " and resid   63 and name HG11) (segid "    " and resid   63 and name   HA) 2.707 0.879 0.879 ! spec=Noesy-H2O, no=2323, id=1701
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   67 and name  HG1) 3.087 1.143 1.143 ! spec=Noesy-H2O, no=2326, id=1704
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG12) 3.030 1.102 1.102 ! spec=Noesy-H2O, no=2329, id=1707
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG11)
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG13)
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG22) 3.275 1.287 1.287 ! spec=Noesy-H2O, no=2330, id=1708
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   44 and name HE21) (segid "    " and resid   43 and name  HE1) 3.331 1.332 1.332 ! spec=Noesy-H2O, no=2331, id=1709
    or (segid "    " and resid   44 and name HE21) (segid "    " and resid   43 and name  HE2)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HG2) 3.495 1.466 1.466 ! spec=Noesy-H2O, no=2333, id=1711
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HB2) 2.720 0.888 0.888 ! spec=Noesy-H2O, no=2334, id=1712
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HA) 2.296 0.632 0.632 ! spec=Noesy-H2O, no=2335, id=1713
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name   HA) 3.134 1.179 1.179 ! spec=Noesy-H2O, no=2336, id=1714
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    7 and name   HA) 2.621 0.824 0.824 ! spec=Noesy-H2O, no=2337, id=1715
assign (segid "    " and resid    7 and name  HG1) (segid "    " and resid    7 and name   HA) 2.718 0.887 0.887 ! spec=Noesy-H2O, no=2338, id=1716
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.247 0.606 0.606 ! spec=Noesy-H2O, no=2339, id=1717
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG2) 3.059 1.123 1.123 ! spec=Noesy-H2O, no=2340, id=1718
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name  HG1) 2.092 0.525 0.525 ! spec=Noesy-H2O, no=2341, id=1719
assign (segid "    " and resid    8 and name HD12) (segid "    " and resid    5 and name  HB2) 3.356 1.352 1.352 ! spec=Noesy-H2O, no=2342, id=1720
    or (segid "    " and resid    8 and name HD11) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    8 and name HD13) (segid "    " and resid    5 and name  HB2)
assign (segid "    " and resid    8 and name HD12) (segid "    " and resid    5 and name   HA) 3.305 1.310 1.310 ! spec=Noesy-H2O, no=2343, id=1721
    or (segid "    " and resid    8 and name HD11) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    8 and name HD13) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid   10 and name HG21) (segid "    " and resid   13 and name  HB1) 3.071 1.131 1.131 ! spec=Noesy-H2O, no=2344, id=1722
    or (segid "    " and resid   10 and name HG22) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   10 and name HG23) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   68 and name   HA) 3.222 1.245 1.245 ! spec=Noesy-H2O, no=2346, id=1724
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   67 and name  HG1) 2.934 1.033 1.033 ! spec=Noesy-H2O, no=2350, id=1728
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name   HN) 2.939 1.037 1.037 ! spec=Noesy-H2O, no=2351, id=1729
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name   HN) 3.139 1.183 1.183 ! spec=Noesy-H2O, no=2352, id=1730
assign (segid "    " and resid   49 and name HD22) (segid "    " and resid   50 and name  HG1) 4.422 2.346 2.346 ! spec=Noesy-H2O, no=2356, id=1734
    or (segid "    " and resid   49 and name HD21) (segid "    " and resid   50 and name  HG1)
    or (segid "    " and resid   49 and name HD23) (segid "    " and resid   50 and name  HG1)
assign (segid "    " and resid   50 and name  HG1) (segid "    " and resid   50 and name  HG2) 1.478 0.262 0.262 ! spec=Noesy-H2O, no=2357, id=1735
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA) 2.549 0.780 0.780 ! spec=Noesy-H2O, no=2358, id=1736
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HE2) 2.749 0.907 0.907 ! spec=Noesy-H2O, no=2359, id=1737
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG1) 3.108 1.159 1.159 ! spec=Noesy-H2O, no=2360, id=1738
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   63 and name HD12) 3.135 1.179 1.179 ! spec=Noesy-H2O, no=2362, id=1740
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   63 and name HD11)
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   63 and name HD13)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   63 and name HD12) 3.321 1.324 1.324 ! spec=Noesy-H2O, no=2363, id=1741
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   63 and name HD11)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   63 and name HD13)
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   46 and name  HE1) 3.391 1.380 1.380 ! spec=Noesy-H2O, no=2366, id=1744
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   46 and name  HE2)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   62 and name  HD1) 3.451 1.429 1.429 ! spec=Noesy-H2O, no=2367, id=1745
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   63 and name   HA) 3.236 1.256 1.256 ! spec=Noesy-H2O, no=2372, id=1747
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   66 and name   HA) 3.248 1.266 1.266 ! spec=Noesy-H2O, no=2373, id=1748
assign (segid "    " and resid   26 and name  HE1) (segid "    " and resid   67 and name  HG2) 3.344 1.342 1.342 ! spec=Noesy-H2O, no=2374, id=1749
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   13 and name  HB2) 3.236 1.256 1.256 ! spec=Noesy-H2O, no=2376, id=1751
assign (segid "    " and resid   68 and name  HD1) (segid "    " and resid   64 and name  HB2) 3.326 1.327 1.327 ! spec=Noesy-H2O, no=2377, id=1752
!ALPHA HELIX from 10 to 21
assign (resid  9 and name C ) (resid   10 and name N ) (resid   10 and name CA) (resid   10 and name C )  1.00   -60.00   30.00 2
assign (resid   10 and name N ) (resid   10 and name CA ) (resid   10 and name C) (resid  11 and name N )  1.00  -50.00   30.00 2
assign (resid  10 and name C ) (resid   11 and name N ) (resid   11 and name CA) (resid   11 and name C )  1.00  -60.00   30.00 2
assign (resid   11 and name N ) (resid   11 and name CA ) (resid   11 and name C) (resid  12 and name N )  1.00  -50.00   30.00 2
assign (resid  11 and name C ) (resid   12 and name N ) (resid   12 and name CA) (resid   12 and name C )  1.00  -60.00   30.00 2
assign (resid   12 and name N ) (resid   12 and name CA ) (resid   12 and name C) (resid  13 and name N )  1.00  -50.00   30.00 2
assign (resid  12 and name C ) (resid   13 and name N ) (resid   13 and name CA) (resid   13 and name C )  1.00  -60.00   30.00 2
assign (resid   13 and name N ) (resid   13 and name CA ) (resid   13 and name C) (resid  14 and name N )  1.00  -50.00   30.00 2
assign (resid  13 and name C ) (resid   14 and name N ) (resid   14 and name CA) (resid   14 and name C )  1.00  -60.00   30.00 2
assign (resid   14 and name N ) (resid   14 and name CA ) (resid   14 and name C) (resid  15 and name N )  1.00  -50.00   30.00 2
assign (resid  14 and name C ) (resid   15 and name N ) (resid   15 and name CA) (resid   15 and name C )  1.00  -60.00   30.00 2
assign (resid   15 and name N ) (resid   15 and name CA ) (resid   15 and name C) (resid  16 and name N )  1.00  -50.00   30.00 2
assign (resid  15 and name C ) (resid   16 and name N ) (resid   16 and name CA) (resid   16 and name C )  1.00  -60.00   30.00 2
assign (resid   16 and name N ) (resid   16 and name CA ) (resid   16 and name C) (resid  17 and name N )  1.00  -50.00   30.00 2
assign (resid  16 and name C ) (resid   17 and name N ) (resid   17 and name CA) (resid   17 and name C )  1.00  -60.00   30.00 2
assign (resid   17 and name N ) (resid   17 and name CA ) (resid   17 and name C) (resid  18 and name N )  1.00  -50.00   30.00 2
assign (resid  17 and name C ) (resid   18 and name N ) (resid   18 and name CA) (resid   18 and name C )  1.00  -60.00   30.00 2
assign (resid   18 and name N ) (resid   18 and name CA ) (resid   18 and name C) (resid  19 and name N )  1.00  -50.00   30.00 2
assign (resid  18 and name C ) (resid   19 and name N ) (resid   19 and name CA) (resid   19 and name C )  1.00  -60.00   30.00 2
assign (resid   19 and name N ) (resid   19 and name CA ) (resid   19 and name C) (resid  20 and name N )  1.00  -50.00   30.00 2
assign (resid  19 and name C ) (resid   20 and name N ) (resid   20 and name CA) (resid   20 and name C )  1.00  -60.00   30.00 2
assign (resid   20 and name N ) (resid   20 and name CA ) (resid   20 and name C) (resid  21 and name N )  1.00  -50.00   30.00 2
assign (resid  20 and name C ) (resid   21 and name N ) (resid   21 and name CA) (resid   21 and name C )  1.00  -60.00   30.00 2
assign (resid   21 and name N ) (resid   21 and name CA ) (resid   21 and name C) (resid  22 and name N )  1.00  -50.00   30.00 2

!ALPHA HELIX from 31 to 36
assign (resid  30 and name C ) (resid   31 and name N ) (resid   31 and name CA) (resid   31 and name C )  1.00  -60.00   30.00 2
assign (resid   31 and name N ) (resid   31 and name CA ) (resid   31 and name C) (resid  32 and name N )  1.00  -50.00   30.00 2
assign (resid  31 and name C ) (resid   32 and name N ) (resid   32 and name CA) (resid   32 and name C )  1.00  -60.00   30.00 2
assign (resid   32 and name N ) (resid   32 and name CA ) (resid   32 and name C) (resid  33 and name N )  1.00  -50.00   30.00 2
assign (resid  32 and name C ) (resid   33 and name N ) (resid   33 and name CA) (resid   33 and name C )  1.00  -60.00   30.00 2
assign (resid   33 and name N ) (resid   33 and name CA ) (resid   33 and name C) (resid  34 and name N )  1.00  -50.00   30.00 2
assign (resid  33 and name C ) (resid   34 and name N ) (resid   34 and name CA) (resid   34 and name C )  1.00  -60.00   30.00 2
assign (resid   34 and name N ) (resid   34 and name CA ) (resid   34 and name C) (resid  35 and name N )  1.00  -50.00   30.00 2
assign (resid  34 and name C ) (resid   35 and name N ) (resid   35 and name CA) (resid   35 and name C )  1.00  -60.00   30.00 2
assign (resid   35 and name N ) (resid   35 and name CA ) (resid   35 and name C) (resid  36 and name N )  1.00  -50.00   30.00 2
assign (resid  35 and name C ) (resid   36 and name N ) (resid   36 and name CA) (resid   36 and name C )  1.00  -60.00   30.00 2
assign (resid   36 and name N ) (resid   36 and name CA ) (resid   36 and name C) (resid  37 and name N )  1.00  -50.00   30.00 2

!ALPHA HELIX from 42 to 48
assign (resid  41 and name C ) (resid   42 and name N ) (resid   42 and name CA) (resid   42 and name C )  1.00  -60.00   30.00 2
assign (resid   42 and name N ) (resid   42 and name CA ) (resid   42 and name C) (resid  43 and name N )  1.00  -50.00   30.00 2
assign (resid  42 and name C ) (resid   43 and name N ) (resid   43 and name CA) (resid   43 and name C )  1.00  -60.00   30.00 2
assign (resid   43 and name N ) (resid   43 and name CA ) (resid   43 and name C) (resid  44 and name N )  1.00  -50.00   30.00 2
assign (resid  43 and name C ) (resid   44 and name N ) (resid   44 and name CA) (resid   44 and name C )  1.00  -60.00   30.00 2
assign (resid   44 and name N ) (resid   44 and name CA ) (resid   44 and name C) (resid  45 and name N )  1.00  -50.00   30.00 2
assign (resid  44 and name C ) (resid   45 and name N ) (resid   45 and name CA) (resid   45 and name C )  1.00  -60.00   30.00 2
assign (resid   45 and name N ) (resid   45 and name CA ) (resid   45 and name C) (resid  46 and name N )  1.00  -50.00   30.00 2
assign (resid  45 and name C ) (resid   46 and name N ) (resid   46 and name CA) (resid   46 and name C )  1.00  -60.00   30.00 2
assign (resid   46 and name N ) (resid   46 and name CA ) (resid   46 and name C) (resid  47 and name N )  1.00  -50.00   30.00 2
assign (resid  46 and name C ) (resid   47 and name N ) (resid   47 and name CA) (resid   47 and name C )  1.00  -60.00   30.00 2
assign (resid   47 and name N ) (resid   47 and name CA ) (resid   47 and name C) (resid  48 and name N )  1.00  -50.00   30.00 2
assign (resid  47 and name C ) (resid   48 and name N ) (resid   48 and name CA) (resid   48 and name C )  1.00  -60.00   30.00 2
assign (resid   48 and name N ) (resid   48 and name CA ) (resid   48 and name C) (resid  49 and name N )  1.00  -50.00   30.00 2

!ALPHA HELIX from 52 to 67
assign (resid  51 and name C ) (resid   52 and name N ) (resid   52 and name CA) (resid   52 and name C )  1.00  -60.00   30.00 2
assign (resid   52 and name N ) (resid   52 and name CA ) (resid   52 and name C) (resid  53 and name N )  1.00  -50.00   30.00 2
assign (resid  52 and name C ) (resid   53 and name N ) (resid   53 and name CA) (resid   53 and name C )  1.00  -60.00   30.00 2
assign (resid   53 and name N ) (resid   53 and name CA ) (resid   53 and name C) (resid  54 and name N )  1.00  -50.00   30.00 2
assign (resid  53 and name C ) (resid   54 and name N ) (resid   54 and name CA) (resid   54 and name C )  1.00  -60.00   30.00 2
assign (resid   54 and name N ) (resid   54 and name CA ) (resid   54 and name C) (resid  55 and name N )  1.00  -50.00   30.00 2
assign (resid  54 and name C ) (resid   55 and name N ) (resid   55 and name CA) (resid   55 and name C )  1.00  -60.00   30.00 2
assign (resid   55 and name N ) (resid   55 and name CA ) (resid   55 and name C) (resid  56 and name N )  1.00  -50.00   30.00 2
assign (resid  55 and name C ) (resid   56 and name N ) (resid   56 and name CA) (resid   56 and name C )  1.00  -60.00   30.00 2
assign (resid   56 and name N ) (resid   56 and name CA ) (resid   56 and name C) (resid  57 and name N )  1.00  -50.00   30.00 2
assign (resid  56 and name C ) (resid   57 and name N ) (resid   57 and name CA) (resid   57 and name C )  1.00  -60.00   30.00 2
assign (resid   57 and name N ) (resid   57 and name CA ) (resid   57 and name C) (resid  58 and name N )  1.00  -50.00   30.00 2
assign (resid  57 and name C ) (resid   58 and name N ) (resid   58 and name CA) (resid   58 and name C )  1.00  -60.00   30.00 2
assign (resid   58 and name N ) (resid   58 and name CA ) (resid   58 and name C) (resid  59 and name N )  1.00  -50.00   30.00 2
assign (resid  58 and name C ) (resid   59 and name N ) (resid   59 and name CA) (resid   59 and name C )  1.00  -60.00   30.00 2
assign (resid   59 and name N ) (resid   59 and name CA ) (resid   59 and name C) (resid  60 and name N )  1.00  -50.00   30.00 2
assign (resid  59 and name C ) (resid   60 and name N ) (resid   60 and name CA) (resid   60 and name C )  1.00  -60.00   30.00 2
assign (resid   60 and name N ) (resid   60 and name CA ) (resid   60 and name C) (resid  61 and name N )  1.00  -50.00   30.00 2
assign (resid  60 and name C ) (resid   61 and name N ) (resid   61 and name CA) (resid   61 and name C )  1.00  -60.00   30.00 2
assign (resid   61 and name N ) (resid   61 and name CA ) (resid   61 and name C) (resid  62 and name N )  1.00  -50.00   30.00 2
assign (resid  61 and name C ) (resid   62 and name N ) (resid   62 and name CA) (resid   62 and name C )  1.00  -60.00   30.00 2
assign (resid   62 and name N ) (resid   62 and name CA ) (resid   62 and name C) (resid  63 and name N )  1.00  -50.00   30.00 2
assign (resid  62 and name C ) (resid   63 and name N ) (resid   63 and name CA) (resid   63 and name C )  1.00  -60.00   30.00 2
assign (resid   63 and name N ) (resid   63 and name CA ) (resid   63 and name C) (resid  64 and name N )  1.00  -50.00   30.00 2
assign (resid  63 and name C ) (resid   64 and name N ) (resid   64 and name CA) (resid   64 and name C )  1.00  -60.00   30.00 2
assign (resid   64 and name N ) (resid   64 and name CA ) (resid   64 and name C) (resid  65 and name N )  1.00  -50.00   30.00 2
assign (resid  64 and name C ) (resid   65 and name N ) (resid   65 and name CA) (resid   65 and name C )  1.00  -60.00   30.00 2
assign (resid   65 and name N ) (resid   65 and name CA ) (resid   65 and name C) (resid  66 and name N )  1.00  -50.00   30.00 2
assign (resid  65 and name C ) (resid   66 and name N ) (resid   66 and name CA) (resid   66 and name C )  1.00  -60.00   30.00 2
assign (resid   66 and name N ) (resid   66 and name CA ) (resid   66 and name C) (resid  67 and name N )  1.00  -50.00   30.00 2
assign (resid  66 and name C ) (resid   67 and name N ) (resid   67 and name CA) (resid   67 and name C )  1.00  -60.00   30.00 2
assign (resid   67 and name N ) (resid   67 and name CA ) (resid   67 and name C) (resid  68 and name N )  1.00  -50.00   30.00 2

assign ( residue   9  and name O  )  ( residue   13  and name N )  2.85  0.30  0.30
assign ( residue   9  and name O  )  ( residue   13  and name HN )  1.9  0.30  0.30
assign ( residue   10  and name O  ) ( residue   14  and name N )  2.85  0.30  0.30
assign ( residue   10  and name O  ) ( residue   14  and name HN )  1.9  0.30  0.30
assign ( residue   11  and name O  ) ( residue   15  and name N )  2.85  0.30  0.30
assign ( residue   11  and name O  ) ( residue   15  and name HN )  1.9  0.30  0.30
assign ( residue   12  and name O  ) ( residue   16  and name N )  2.85  0.30  0.30
assign ( residue   12  and name O  ) ( residue   16  and name HN )  1.9  0.30  0.30
assign ( residue   13  and name O  ) ( residue   17  and name N )  2.85  0.30  0.30
assign ( residue   13  and name O  ) ( residue   17  and name HN )  1.9  0.30  0.30
assign ( residue   14  and name O  ) ( residue   18  and name N )  2.85  0.30  0.30
assign ( residue   14  and name O  ) ( residue   18  and name HN )  1.9  0.30  0.30
assign ( residue   15  and name O  ) ( residue   19  and name N )  2.85  0.30  0.30
assign ( residue   15  and name O  ) ( residue   19  and name HN )  1.9  0.30  0.30
assign ( residue   16  and name O  ) ( residue   20  and name N )  2.85  0.30  0.30
assign ( residue   16  and name O  ) ( residue   20  and name HN )  1.9  0.30  0.30
assign ( residue   17  and name O  ) ( residue   21  and name N )  2.85  0.30  0.30
assign ( residue   17  and name O  ) ( residue   21  and name HN )  1.9  0.30  0.30
assign ( residue   18  and name O  ) ( residue   22  and name N )  2.85  0.30  0.30
assign ( residue   18  and name O  ) ( residue   22  and name HN )  1.9  0.30  0.30
assign ( residue   19  and name O  ) ( residue   23  and name N )  2.85  0.30  0.30
assign ( residue   19  and name O  ) ( residue   23  and name HN )  1.9  0.30  0.30
assign ( residue   30  and name O  ) ( residue   34  and name N )  2.85  0.30  0.30
assign ( residue   30  and name O  ) ( residue   34  and name HN )  1.9  0.30  0.30
assign ( residue   31  and name O  ) ( residue   35  and name N )  2.85  0.30  0.30
assign ( residue   31  and name O  ) ( residue   35  and name HN )  1.9  0.30  0.30
assign ( residue   32  and name O  ) ( residue   36  and name N )  2.85  0.30  0.30
assign ( residue   32  and name O  ) ( residue   36  and name HN )  1.9  0.30  0.30
assign ( residue   33  and name O  ) ( residue   37  and name N )  2.85  0.30  0.30
assign ( residue   33  and name O  ) ( residue   37  and name HN )  1.9  0.30  0.30
assign ( residue   34  and name O  ) ( residue   38  and name N )  2.85  0.30  0.30
assign ( residue   34  and name O  ) ( residue   38  and name HN )  1.9  0.30  0.30
assign ( residue   40  and name O  ) ( residue   44  and name N )  2.85  0.30  0.30
assign ( residue   40  and name O  ) ( residue   44  and name HN )  1.9  0.30  0.30
assign ( residue   41  and name O  ) ( residue   45  and name N )  2.85  0.30  0.30
assign ( residue   41  and name O  ) ( residue   45  and name HN )  1.9  0.30  0.30
assign ( residue   42  and name O  ) ( residue   46  and name N )  2.85  0.30  0.30
assign ( residue   42  and name O  ) ( residue   46  and name HN )  1.9  0.30  0.30
assign ( residue   43  and name O  ) ( residue   47  and name N )  2.85  0.30  0.30
assign ( residue   43  and name O  ) ( residue   47  and name HN )  1.9  0.30  0.30
assign ( residue   44  and name O  ) ( residue   48  and name N )  2.85  0.30  0.30
assign ( residue   44  and name O  ) ( residue   48  and name HN )  1.9  0.30  0.30
assign ( residue   45  and name O  ) ( residue   49  and name N )  2.85  0.30  0.30
assign ( residue   45  and name O  ) ( residue   49  and name HN )  1.9  0.30  0.30
assign ( residue   46  and name O  ) ( residue   50  and name N )  2.85  0.30  0.30
assign ( residue   46  and name O  ) ( residue   50  and name HN )  1.9  0.30  0.30
assign ( residue   52  and name O  ) ( residue   56  and name N )  2.85  0.30  0.30
assign ( residue   52  and name O  ) ( residue   56  and name HN )  1.9  0.30  0.30
assign ( residue   53  and name O  ) ( residue   57  and name N )  2.85  0.30  0.30
assign ( residue   53  and name O  ) ( residue   57  and name HN )  1.9  0.30  0.30
assign ( residue   54  and name O  ) ( residue   58  and name N )  2.85  0.30  0.30
assign ( residue   54  and name O  ) ( residue   58  and name HN )  1.9  0.30  0.30
assign ( residue   55  and name O  ) ( residue   59  and name N )  2.85  0.30  0.30
assign ( residue   55  and name O  ) ( residue   59  and name HN )  1.9  0.30  0.30
assign ( residue   56  and name O  ) ( residue   60  and name N )  2.85  0.30  0.30
assign ( residue   56  and name O  ) ( residue   60  and name HN )  1.9  0.30  0.30
assign ( residue   57  and name O  ) ( residue   61  and name N )  2.85  0.30  0.30
assign ( residue   57  and name O  ) ( residue   61  and name HN )  1.9  0.30  0.30
assign ( residue   58  and name O  ) ( residue   62  and name N )  2.85  0.30  0.30
assign ( residue   58  and name O  ) ( residue   62  and name HN )  1.9  0.30  0.30
assign ( residue   59  and name O  ) ( residue   63  and name N )  2.85  0.30  0.30
assign ( residue   59  and name O  ) ( residue   63  and name HN )  1.9  0.30  0.30
assign ( residue   60  and name O  ) ( residue   64  and name N )  2.85  0.30  0.30
assign ( residue   60  and name O  ) ( residue   64  and name HN )  1.9  0.30  0.30
assign ( residue   61  and name O  ) ( residue   65  and name N )  2.85  0.30  0.30
assign ( residue   61  and name O  ) ( residue   65  and name HN )  1.9  0.30  0.30
assign ( residue   62  and name O  ) ( residue   66  and name N )  2.85  0.30  0.30
assign ( residue   62  and name O  ) ( residue   66  and name HN )  1.9  0.30  0.30
assign ( residue   63  and name O  ) ( residue   67  and name N )  2.85  0.30  0.30
assign ( residue   63  and name O  ) ( residue   67  and name HN )  1.9  0.30  0.30


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER   5           H        SER   5 -20.626   6.194   0.780
    2    HA   SER   5           HA       SER   5 -19.642   3.622  -0.092
    3    HB2  SER   5           2HB      SER   5 -19.520   6.284  -1.528
    4    HB3  SER   5           1HB      SER   5 -19.391   4.678  -2.249
    5    HG   SER   5           HG       SER   5 -21.488   5.413  -2.532
    6    H    GLN   6           H        GLN   6 -18.189   4.368   2.054
    7    HA   GLN   6           HA       GLN   6 -15.731   5.602   1.069
    8    HB2  GLN   6           2HB      GLN   6 -16.710   5.046   3.857
    9    HB3  GLN   6           1HB      GLN   6 -15.100   5.652   3.502
   10    HG2  GLN   6           2HG      GLN   6 -17.692   7.025   2.827
   11    HG3  GLN   6           1HG      GLN   6 -16.610   7.445   4.154
   12   HE21  GLN   6          1HE2      GLN   6 -17.100   7.524   0.718
   13   HE22  GLN   6          2HE2      GLN   6 -15.819   8.630   0.349
   14    H    GLN   7           H        GLN   7 -15.282   3.664  -0.164
   15    HA   GLN   7           HA       GLN   7 -13.704   1.833   1.522
   16    HB2  GLN   7           2HB      GLN   7 -15.687   0.826   0.231
   17    HB3  GLN   7           1HB      GLN   7 -14.700   1.056  -1.198
   18    HG2  GLN   7           2HG      GLN   7 -14.341  -1.136  -0.484
   19    HG3  GLN   7           1HG      GLN   7 -12.943  -0.233   0.013
   20   HE21  GLN   7          1HE2      GLN   7 -15.689  -1.961   1.021
   21   HE22  GLN   7          2HE2      GLN   7 -15.306  -1.976   2.704
   22    H    ILE   8           H        ILE   8 -14.012   3.482  -1.566
   23    HA   ILE   8           HA       ILE   8 -11.514   3.044  -2.658
   24    HB   ILE   8           HB       ILE   8 -13.073   5.615  -2.856
   25   HG12  ILE   8          2HG1      ILE   8 -13.561   3.989  -5.079
   26   HG13  ILE   8          1HG1      ILE   8 -13.770   2.951  -3.680
   27   HG21  ILE   8          1HG2      ILE   8 -11.138   4.312  -4.762
   28   HG22  ILE   8          2HG2      ILE   8 -10.829   5.750  -3.788
   29   HG23  ILE   8          3HG2      ILE   8 -12.044   5.796  -5.066
   30   HD11  ILE   8          3HD1      ILE   8 -15.873   3.967  -4.335
   31   HD12  ILE   8          1HD1      ILE   8 -15.166   5.574  -4.163
   32   HD13  ILE   8          2HD1      ILE   8 -15.371   4.544  -2.746
   33    H    ALA   9           H        ALA   9 -12.459   5.069  -0.061
   34    HA   ALA   9           HA       ALA   9  -9.951   6.532  -0.055
   35    HB1  ALA   9           1HB      ALA   9 -12.334   6.807   1.763
   36    HB2  ALA   9           2HB      ALA   9 -12.015   7.784   0.329
   37    HB3  ALA   9           3HB      ALA   9 -10.932   7.875   1.718
   38    H    THR  10           H        THR  10 -11.840   4.824   2.376
   39    HA   THR  10           HA       THR  10  -9.808   4.760   4.286
   40    HB   THR  10           HB       THR  10 -11.343   2.959   5.299
   41    HG1  THR  10           1HG      THR  10 -13.231   2.658   4.285
   42   HG21  THR  10          3HG2      THR  10 -12.331   5.760   4.779
   43   HG22  THR  10          1HG2      THR  10 -11.171   5.302   6.025
   44   HG23  THR  10          2HG2      THR  10 -12.833   4.714   6.108
   45    H    ALA  11           H        ALA  11 -10.883   2.189   2.024
   46    HA   ALA  11           HA       ALA  11  -9.186   0.218   3.150
   47    HB1  ALA  11           1HB      ALA  11 -11.090  -0.319   1.658
   48    HB2  ALA  11           2HB      ALA  11  -9.582  -1.093   1.169
   49    HB3  ALA  11           3HB      ALA  11 -10.169   0.328   0.300
   50    H    LYS  12           H        LYS  12  -8.754   2.644   0.654
   51    HA   LYS  12           HA       LYS  12  -6.105   1.854  -0.033
   52    HB2  LYS  12           2HB      LYS  12  -7.409   3.222  -1.564
   53    HB3  LYS  12           1HB      LYS  12  -7.523   4.504  -0.376
   54    HG2  LYS  12           2HG      LYS  12  -5.208   4.979  -0.526
   55    HG3  LYS  12           1HG      LYS  12  -4.909   3.528  -1.480
   56    HD2  LYS  12           2HD      LYS  12  -6.146   4.442  -3.335
   57    HD3  LYS  12           1HD      LYS  12  -6.605   5.852  -2.378
   58    HE2  LYS  12           2HE      LYS  12  -3.734   5.132  -2.871
   59    HE3  LYS  12           1HE      LYS  12  -4.649   6.115  -4.009
   60    HZ1  LYS  12           3HZ      LYS  12  -4.266   6.768  -1.130
   61    HZ2  LYS  12           1HZ      LYS  12  -5.038   7.736  -2.293
   62    HZ3  LYS  12           2HZ      LYS  12  -3.373   7.444  -2.402
   63    H    ASP  13           H        ASP  13  -7.469   4.364   2.029
   64    HA   ASP  13           HA       ASP  13  -5.145   5.528   2.983
   65    HB2  ASP  13           2HB      ASP  13  -7.407   6.426   3.398
   66    HB3  ASP  13           1HB      ASP  13  -7.730   5.100   4.511
   67    H    LYS  14           H        LYS  14  -6.945   2.808   4.401
   68    HA   LYS  14           HA       LYS  14  -5.227   2.242   6.509
   69    HB2  LYS  14           2HB      LYS  14  -7.536   1.300   5.997
   70    HB3  LYS  14           1HB      LYS  14  -6.741   0.207   4.877
   71    HG2  LYS  14           2HG      LYS  14  -5.504  -0.808   6.662
   72    HG3  LYS  14           1HG      LYS  14  -6.132   0.376   7.808
   73    HD2  LYS  14           2HD      LYS  14  -8.431  -0.435   7.275
   74    HD3  LYS  14           1HD      LYS  14  -7.701  -1.708   6.298
   75    HE2  LYS  14           2HE      LYS  14  -6.506  -2.504   8.315
   76    HE3  LYS  14           1HE      LYS  14  -7.359  -1.284   9.263
   77    HZ1  LYS  14           3HZ      LYS  14  -8.444  -3.443   9.397
   78    HZ2  LYS  14           1HZ      LYS  14  -8.638  -3.472   7.713
   79    HZ3  LYS  14           2HZ      LYS  14  -9.454  -2.308   8.637
   80    H    TYR  15           H        TYR  15  -5.294   0.933   3.196
   81    HA   TYR  15           HA       TYR  15  -3.063  -0.740   3.427
   82    HB2  TYR  15           2HB      TYR  15  -4.512  -0.948   1.509
   83    HB3  TYR  15           1HB      TYR  15  -4.157   0.706   1.007
   84    HD1  TYR  15           2HD      TYR  15  -2.695  -2.648   1.451
   85    HD2  TYR  15           1HD      TYR  15  -2.229   1.207  -0.310
   86    HE1  TYR  15           2HE      TYR  15  -0.775  -3.473   0.171
   87    HE2  TYR  15           1HE      TYR  15  -0.299   0.377  -1.596
   88    HH   TYR  15           HH       TYR  15   0.489  -2.956  -1.792
   89    H    GLU  16           H        GLU  16  -3.310   2.688   2.655
   90    HA   GLU  16           HA       GLU  16  -0.650   3.104   1.963
   91    HB2  GLU  16           2HB      GLU  16  -2.943   4.738   2.887
   92    HB3  GLU  16           1HB      GLU  16  -1.365   5.477   2.818
   93    HG2  GLU  16           2HG      GLU  16  -1.276   4.619   0.421
   94    HG3  GLU  16           1HG      GLU  16  -3.005   4.326   0.609
   95    H    TRP  17           H        TRP  17  -2.301   2.885   5.084
   96    HA   TRP  17           HA       TRP  17   0.035   3.607   6.564
   97    HB2  TRP  17           2HB      TRP  17  -1.848   3.721   7.934
   98    HB3  TRP  17           1HB      TRP  17  -2.519   2.254   7.284
   99    HD1  TRP  17           HD       TRP  17   0.621   3.069   9.313
  100    HE1  TRP  17           1HE      TRP  17   0.922   1.257  11.102
  101    HE3  TRP  17           3HE      TRP  17  -3.196   0.236   8.000
  102    HZ2  TRP  17           2HZ      TRP  17  -0.420  -1.125  11.853
  103    HZ3  TRP  17           3HZ      TRP  17  -3.705  -1.829   9.270
  104    HH2  TRP  17           HH       TRP  17  -2.300  -2.482  11.154
  105    H    LEU  18           H        LEU  18  -1.385   0.614   5.327
  106    HA   LEU  18           HA       LEU  18   0.211  -1.169   6.673
  107    HB2  LEU  18           2HB      LEU  18  -1.090  -1.238   3.968
  108    HB3  LEU  18           1HB      LEU  18   0.087  -2.482   4.327
  109    HG   LEU  18           HG       LEU  18  -2.322  -3.140   4.723
  110   HD11  LEU  18          1HD1      LEU  18  -0.489  -3.171   7.135
  111   HD12  LEU  18          2HD1      LEU  18  -0.451  -4.321   5.797
  112   HD13  LEU  18          3HD1      LEU  18  -1.862  -4.243   6.853
  113   HD21  LEU  18          3HD2      LEU  18  -2.044  -1.190   7.002
  114   HD22  LEU  18          1HD2      LEU  18  -3.381  -2.310   6.742
  115   HD23  LEU  18          2HD2      LEU  18  -3.087  -1.006   5.591
  116    H    VAL  19           H        VAL  19   0.811   0.440   3.573
  117    HA   VAL  19           HA       VAL  19   3.459  -0.345   3.182
  118    HB   VAL  19           HB       VAL  19   2.167   2.292   2.444
  119   HG11  VAL  19          1HG1      VAL  19   4.803   1.127   1.537
  120   HG12  VAL  19          2HG1      VAL  19   4.598   2.547   2.562
  121   HG13  VAL  19          3HG1      VAL  19   4.044   2.581   0.887
  122   HG21  VAL  19          3HG2      VAL  19   2.063   1.318   0.211
  123   HG22  VAL  19          1HG2      VAL  19   1.185   0.322   1.376
  124   HG23  VAL  19          2HG2      VAL  19   2.790  -0.168   0.826
  125    H    SER  20           H        SER  20   2.245   2.484   5.003
  126    HA   SER  20           HA       SER  20   4.856   3.377   5.680
  127    HB2  SER  20           2HB      SER  20   3.759   4.931   7.185
  128    HB3  SER  20           1HB      SER  20   2.862   4.849   5.672
  129    HG   SER  20           HG       SER  20   1.822   3.014   7.233
  130    H    ARG  21           H        ARG  21   2.869   0.885   6.941
  131    HA   ARG  21           HA       ARG  21   4.011   0.927   9.533
  132    HB2  ARG  21           2HB      ARG  21   2.268  -0.370  10.128
  133    HB3  ARG  21           1HB      ARG  21   1.588   0.126   8.593
  134    HG2  ARG  21           2HG      ARG  21   2.367  -1.794   7.572
  135    HG3  ARG  21           1HG      ARG  21   3.284  -2.280   8.965
  136    HD2  ARG  21           2HD      ARG  21   1.074  -2.348  10.212
  137    HD3  ARG  21           1HD      ARG  21   0.301  -2.214   8.633
  138    HE   ARG  21           HE       ARG  21   1.735  -4.325   8.148
  139   HH11  ARG  21          1HH1      ARG  21   0.152  -3.532  11.171
  140   HH12  ARG  21          2HH1      ARG  21  -0.046  -5.189  11.651
  141   HH21  ARG  21          1HH2      ARG  21   1.507  -6.517   8.808
  142   HH22  ARG  21          2HH2      ARG  21   0.733  -6.870  10.325
  143    H    ILE  22           H        ILE  22   4.526  -0.607   6.531
  144    HA   ILE  22           HA       ILE  22   6.522  -2.405   7.717
  145    HB   ILE  22           HB       ILE  22   5.658  -2.369   4.843
  146   HG12  ILE  22          2HG1      ILE  22   3.862  -2.735   6.741
  147   HG13  ILE  22          1HG1      ILE  22   3.869  -3.706   5.298
  148   HG21  ILE  22          1HG2      ILE  22   7.742  -3.537   5.384
  149   HG22  ILE  22          2HG2      ILE  22   6.476  -4.664   4.887
  150   HG23  ILE  22          3HG2      ILE  22   6.883  -4.492   6.591
  151   HD11  ILE  22          3HD1      ILE  22   5.019  -4.498   7.958
  152   HD12  ILE  22          1HD1      ILE  22   5.007  -5.496   6.503
  153   HD13  ILE  22          2HD1      ILE  22   3.487  -5.056   7.281
  154    H    VAL  23           H        VAL  23   6.191  -0.469   4.764
  155    HA   VAL  23           HA       VAL  23   8.999  -0.035   4.442
  156    HB   VAL  23           HB       VAL  23   6.650   1.355   3.155
  157   HG11  VAL  23          1HG1      VAL  23   8.807   2.455   2.804
  158   HG12  VAL  23          2HG1      VAL  23   8.212   1.732   1.310
  159   HG13  VAL  23          3HG1      VAL  23   9.494   0.938   2.224
  160   HG21  VAL  23          3HG2      VAL  23   6.435  -1.059   2.960
  161   HG22  VAL  23          1HG2      VAL  23   8.071  -1.165   2.309
  162   HG23  VAL  23          2HG2      VAL  23   6.811  -0.327   1.401
  163    H    LYS  24           H        LYS  24   9.970   1.160   5.991
  164    HA   LYS  24           HA       LYS  24   8.751   3.667   6.879
  165    HB2  LYS  24           2HB      LYS  24  11.101   2.138   7.868
  166    HB3  LYS  24           1HB      LYS  24  10.645   3.695   8.499
  167    HG2  LYS  24           2HG      LYS  24   9.082   1.155   8.547
  168    HG3  LYS  24           1HG      LYS  24   9.909   1.945   9.875
  169    HD2  LYS  24           2HD      LYS  24   8.460   3.897   9.613
  170    HD3  LYS  24           1HD      LYS  24   7.617   3.021   8.331
  171    HE2  LYS  24           2HE      LYS  24   6.968   1.298   9.867
  172    HE3  LYS  24           1HE      LYS  24   7.951   2.033  11.131
  173    HZ1  LYS  24           3HZ      LYS  24   5.455   3.111   9.924
  174    HZ2  LYS  24           1HZ      LYS  24   6.441   4.008  10.973
  175    HZ3  LYS  24           2HZ      LYS  24   5.675   2.599  11.526
  176    H    ASN  25           H        ASN  25  12.003   2.565   6.034
  177    HA   ASN  25           HA       ASN  25  12.841   5.269   5.404
  178    HB2  ASN  25           2HB      ASN  25  15.098   4.204   5.176
  179    HB3  ASN  25           1HB      ASN  25  14.328   3.928   6.736
  180   HD21  ASN  25          1HD2      ASN  25  15.497   2.072   7.166
  181   HD22  ASN  25          2HD2      ASN  25  15.235   0.589   6.306
  182    H    HIS  26           H        HIS  26  11.142   3.350   3.609
  183    HA   HIS  26           HA       HIS  26  10.725   2.950   1.452
  184    HB2  HIS  26           2HB      HIS  26  11.074   4.615  -0.083
  185    HB3  HIS  26           1HB      HIS  26  11.286   5.503   1.380
  186    HD1  HIS  26           1HD      HIS  26  13.027   7.120   1.104
  187    HD2  HIS  26           2HD      HIS  26  13.929   3.643  -0.957
  188    HE1  HIS  26           1HE      HIS  26  15.344   7.459   0.148
  189    HE2  HIS  26           2HE      HIS  26  15.843   5.369  -1.140
  190    H    ASN  27           H        ASN  27  13.772   2.300   2.660
  191    HA   ASN  27           HA       ASN  27  15.175   1.747   0.238
  192    HB2  ASN  27           2HB      ASN  27  15.724   0.826   3.047
  193    HB3  ASN  27           1HB      ASN  27  16.827   0.668   1.710
  194   HD21  ASN  27          1HD2      ASN  27  16.097   3.388   0.714
  195   HD22  ASN  27          2HD2      ASN  27  16.892   4.429   1.818
  196    H    GLU  28           H        GLU  28  12.670   0.236   1.658
  197    HA   GLU  28           HA       GLU  28  13.226  -2.503   1.331
  198    HB2  GLU  28           2HB      GLU  28  10.599  -1.015   1.255
  199    HB3  GLU  28           1HB      GLU  28  10.767  -2.755   1.388
  200    HG2  GLU  28           2HG      GLU  28  11.677  -0.705   3.390
  201    HG3  GLU  28           1HG      GLU  28  10.289  -1.780   3.535
  202    H    ASN  29           H        ASN  29  11.729  -3.797  -0.182
  203    HA   ASN  29           HA       ASN  29  11.559  -2.557  -2.840
  204    HB2  ASN  29           2HB      ASN  29  13.541  -4.126  -2.660
  205    HB3  ASN  29           1HB      ASN  29  12.391  -5.431  -2.381
  206   HD21  ASN  29          1HD2      ASN  29  13.796  -3.305  -4.687
  207   HD22  ASN  29          2HD2      ASN  29  13.044  -3.977  -6.095
  208    H    TRP  30           H        TRP  30   9.624  -2.785  -3.745
  209    HA   TRP  30           HA       TRP  30   7.353  -3.238  -2.389
  210    HB2  TRP  30           2HB      TRP  30   7.068  -2.251  -4.446
  211    HB3  TRP  30           1HB      TRP  30   7.942  -3.497  -5.295
  212    HD1  TRP  30           HD       TRP  30   6.515  -5.025  -6.559
  213    HE1  TRP  30           1HE      TRP  30   4.046  -5.804  -6.512
  214    HE3  TRP  30           3HE      TRP  30   5.099  -2.667  -2.316
  215    HZ2  TRP  30           2HZ      TRP  30   1.792  -5.445  -4.821
  216    HZ3  TRP  30           3HZ      TRP  30   2.805  -2.916  -1.530
  217    HH2  TRP  30           HH       TRP  30   1.177  -4.286  -2.739
  218    H    LEU  31           H        LEU  31   8.867  -5.814  -4.335
  219    HA   LEU  31           HA       LEU  31   6.773  -7.621  -4.025
  220    HB2  LEU  31           2HB      LEU  31   9.712  -7.990  -4.525
  221    HB3  LEU  31           1HB      LEU  31   8.549  -9.296  -4.604
  222    HG   LEU  31           HG       LEU  31   8.920  -8.588  -6.784
  223   HD11  LEU  31          1HD1      LEU  31   6.624  -9.075  -6.351
  224   HD12  LEU  31          2HD1      LEU  31   6.746  -7.786  -7.549
  225   HD13  LEU  31          3HD1      LEU  31   6.344  -7.401  -5.874
  226   HD21  LEU  31          3HD2      LEU  31   9.918  -6.390  -6.286
  227   HD22  LEU  31          1HD2      LEU  31   8.282  -5.757  -6.102
  228   HD23  LEU  31          2HD2      LEU  31   8.812  -6.389  -7.659
  229    H    SER  32           H        SER  32   9.872  -7.508  -2.293
  230    HA   SER  32           HA       SER  32   9.348  -9.395  -0.350
  231    HB2  SER  32           2HB      SER  32  10.867  -6.885   0.142
  232    HB3  SER  32           1HB      SER  32  11.145  -8.452   0.858
  233    HG   SER  32           HG       SER  32  12.585  -7.806  -0.932
  234    H    VAL  33           H        VAL  33   8.372  -5.960  -0.363
  235    HA   VAL  33           HA       VAL  33   7.439  -6.131   2.339
  236    HB   VAL  33           HB       VAL  33   6.237  -3.861   1.514
  237   HG11  VAL  33          1HG1      VAL  33   7.944  -4.162   3.306
  238   HG12  VAL  33          2HG1      VAL  33   8.154  -2.683   2.375
  239   HG13  VAL  33          3HG1      VAL  33   9.195  -4.073   2.069
  240   HG21  VAL  33          3HG2      VAL  33   6.936  -4.165  -0.779
  241   HG22  VAL  33          1HG2      VAL  33   8.619  -4.120  -0.259
  242   HG23  VAL  33          2HG2      VAL  33   7.596  -2.697  -0.052
  243    H    SER  34           H        SER  34   6.045  -6.642  -0.822
  244    HA   SER  34           HA       SER  34   3.354  -6.764   0.182
  245    HB2  SER  34           2HB      SER  34   3.050  -8.053  -2.098
  246    HB3  SER  34           1HB      SER  34   3.337  -6.317  -2.094
  247    HG   SER  34           HG       SER  34   5.400  -6.658  -2.711
  248    H    ARG  35           H        ARG  35   6.010  -9.074  -0.228
  249    HA   ARG  35           HA       ARG  35   4.875 -11.462   0.447
  250    HB2  ARG  35           2HB      ARG  35   7.375 -10.179   1.523
  251    HB3  ARG  35           1HB      ARG  35   7.020 -11.866   1.477
  252    HG2  ARG  35           2HG      ARG  35   7.209 -10.201  -0.908
  253    HG3  ARG  35           1HG      ARG  35   8.518 -11.150  -0.249
  254    HD2  ARG  35           2HD      ARG  35   7.264 -13.131  -0.514
  255    HD3  ARG  35           1HD      ARG  35   5.860 -12.246  -1.070
  256    HE   ARG  35           HE       ARG  35   6.990 -11.757  -3.100
  257   HH11  ARG  35          1HH1      ARG  35   8.752 -13.993  -1.034
  258   HH12  ARG  35          2HH1      ARG  35   9.696 -14.647  -2.346
  259   HH21  ARG  35          1HH2      ARG  35   8.235 -12.614  -4.806
  260   HH22  ARG  35          2HH2      ARG  35   9.413 -13.847  -4.486
  261    H    LYS  36           H        LYS  36   6.308  -9.154   2.575
  262    HA   LYS  36           HA       LYS  36   5.344  -9.820   5.047
  263    HB2  LYS  36           2HB      LYS  36   5.869  -7.172   3.811
  264    HB3  LYS  36           1HB      LYS  36   5.491  -7.354   5.496
  265    HG2  LYS  36           2HG      LYS  36   7.799  -8.534   4.015
  266    HG3  LYS  36           1HG      LYS  36   7.792  -7.267   5.224
  267    HD2  LYS  36           2HD      LYS  36   6.908  -8.779   6.862
  268    HD3  LYS  36           1HD      LYS  36   6.924 -10.088   5.688
  269    HE2  LYS  36           2HE      LYS  36   9.397  -9.753   5.479
  270    HE3  LYS  36           1HE      LYS  36   9.299  -8.628   6.833
  271    HZ1  LYS  36           3HZ      LYS  36   8.381 -11.446   6.979
  272    HZ2  LYS  36           1HZ      LYS  36   8.576 -10.361   8.266
  273    HZ3  LYS  36           2HZ      LYS  36   9.934 -10.949   7.437
  274    H    MET  37           H        MET  37   4.000  -7.210   3.166
  275    HA   MET  37           HA       MET  37   1.696  -6.685   4.539
  276    HB2  MET  37           2HB      MET  37   2.329  -6.407   1.624
  277    HB3  MET  37           1HB      MET  37   0.839  -5.801   2.297
  278    HG2  MET  37           2HG      MET  37   2.041  -4.287   3.728
  279    HG3  MET  37           1HG      MET  37   3.585  -4.980   3.221
  280    HE1  MET  37           3HE      MET  37   4.802  -2.916   2.289
  281    HE2  MET  37           1HE      MET  37   3.522  -1.984   3.070
  282    HE3  MET  37           2HE      MET  37   3.989  -1.623   1.409
  283    H    GLN  38           H        GLN  38   2.050  -9.297   2.151
  284    HA   GLN  38           HA       GLN  38  -0.697  -9.585   1.574
  285    HB2  GLN  38           2HB      GLN  38  -0.160 -11.670   0.543
  286    HB3  GLN  38           1HB      GLN  38   1.148 -10.547   0.231
  287    HG2  GLN  38           2HG      GLN  38   2.557 -11.596   1.818
  288    HG3  GLN  38           1HG      GLN  38   1.238 -12.606   2.400
  289   HE21  GLN  38          1HE2      GLN  38   3.855 -13.326   1.288
  290   HE22  GLN  38          2HE2      GLN  38   3.528 -14.360  -0.060
  291    H    ALA  39           H        ALA  39   1.137 -10.515   4.275
  292    HA   ALA  39           HA       ALA  39  -0.717 -12.503   5.251
  293    HB1  ALA  39           1HB      ALA  39   1.482 -11.037   6.701
  294    HB2  ALA  39           2HB      ALA  39   1.654 -12.576   5.857
  295    HB3  ALA  39           3HB      ALA  39   0.622 -12.463   7.283
  296    H    SER  40           H        SER  40  -1.478  -9.597   4.634
  297    HA   SER  40           HA       SER  40  -3.030  -9.160   7.066
  298    HB2  SER  40           2HB      SER  40  -1.573  -7.019   5.490
  299    HB3  SER  40           1HB      SER  40  -2.622  -6.746   6.878
  300    HG   SER  40           HG       SER  40  -0.560  -8.557   7.255
  301    HA   PRO  41           HA       PRO  41  -6.396  -9.204   4.121
  302    HB2  PRO  41           2HB      PRO  41  -8.105  -7.863   5.849
  303    HB3  PRO  41           1HB      PRO  41  -7.902  -9.598   5.759
  304    HG2  PRO  41           2HG      PRO  41  -6.752  -7.691   7.647
  305    HG3  PRO  41           1HG      PRO  41  -7.252  -9.352   7.905
  306    HD2  PRO  41           2HD      PRO  41  -4.659  -8.674   7.733
  307    HD3  PRO  41           1HD      PRO  41  -5.263 -10.221   7.105
  308    H    GLU  42           H        GLU  42  -5.236  -6.498   5.830
  309    HA   GLU  42           HA       GLU  42  -6.437  -4.409   4.545
  310    HB2  GLU  42           2HB      GLU  42  -3.621  -4.692   5.519
  311    HB3  GLU  42           1HB      GLU  42  -4.309  -3.165   4.995
  312    HG2  GLU  42           2HG      GLU  42  -4.346  -3.282   7.382
  313    HG3  GLU  42           1HG      GLU  42  -5.992  -3.341   6.771
  314    H    TYR  43           H        TYR  43  -3.264  -5.682   3.672
  315    HA   TYR  43           HA       TYR  43  -3.038  -4.359   1.228
  316    HB2  TYR  43           2HB      TYR  43  -1.031  -5.176   2.015
  317    HB3  TYR  43           1HB      TYR  43  -1.722  -6.710   2.510
  318    HD1  TYR  43           2HD      TYR  43  -2.100  -8.489   0.807
  319    HD2  TYR  43           1HD      TYR  43  -0.059  -4.883  -0.154
  320    HE1  TYR  43           2HE      TYR  43  -1.181  -9.553  -1.205
  321    HE2  TYR  43           1HE      TYR  43   0.870  -5.942  -2.167
  322    HH   TYR  43           HH       TYR  43  -0.245  -8.990  -3.329
  323    H    GLN  44           H        GLN  44  -4.327  -7.548   2.022
  324    HA   GLN  44           HA       GLN  44  -4.746  -8.555  -0.538
  325    HB2  GLN  44           2HB      GLN  44  -6.562  -8.900   1.842
  326    HB3  GLN  44           1HB      GLN  44  -6.452  -9.962   0.445
  327    HG2  GLN  44           2HG      GLN  44  -4.077  -9.441   2.166
  328    HG3  GLN  44           1HG      GLN  44  -5.307 -10.606   2.618
  329   HE21  GLN  44          1HE2      GLN  44  -4.427 -10.000  -0.697
  330   HE22  GLN  44          2HE2      GLN  44  -3.650 -11.514  -0.971
  331    H    ASP  45           H        ASP  45  -7.125  -7.039   1.562
  332    HA   ASP  45           HA       ASP  45  -9.254  -6.849  -0.147
  333    HB2  ASP  45           2HB      ASP  45  -9.039  -6.132   2.338
  334    HB3  ASP  45           1HB      ASP  45  -8.650  -4.552   1.678
  335    H    TYR  46           H        TYR  46  -6.771  -4.347   0.266
  336    HA   TYR  46           HA       TYR  46  -7.817  -2.605  -1.685
  337    HB2  TYR  46           2HB      TYR  46  -6.190  -1.812  -0.043
  338    HB3  TYR  46           1HB      TYR  46  -4.958  -2.856  -0.754
  339    HD1  TYR  46           1HD      TYR  46  -7.066   0.118  -1.345
  340    HD2  TYR  46           2HD      TYR  46  -3.783  -2.207  -2.730
  341    HE1  TYR  46           1HE      TYR  46  -6.489   1.892  -2.945
  342    HE2  TYR  46           2HE      TYR  46  -3.196  -0.437  -4.331
  343    HH   TYR  46           HH       TYR  46  -4.506   2.675  -4.194
  344    H    VAL  47           H        VAL  47  -5.437  -5.172  -1.951
  345    HA   VAL  47           HA       VAL  47  -4.893  -4.557  -4.657
  346    HB   VAL  47           HB       VAL  47  -4.278  -6.982  -2.978
  347   HG11  VAL  47          1HG1      VAL  47  -2.781  -7.747  -4.755
  348   HG12  VAL  47          2HG1      VAL  47  -3.363  -6.449  -5.799
  349   HG13  VAL  47          3HG1      VAL  47  -4.462  -7.729  -5.288
  350   HG21  VAL  47          3HG2      VAL  47  -2.542  -4.768  -4.052
  351   HG22  VAL  47          1HG2      VAL  47  -1.984  -6.134  -3.089
  352   HG23  VAL  47          2HG2      VAL  47  -3.087  -4.951  -2.385
  353    H    TYR  48           H        TYR  48  -7.275  -6.368  -3.025
  354    HA   TYR  48           HA       TYR  48  -8.187  -7.996  -5.161
  355    HB2  TYR  48           2HB      TYR  48  -8.810  -8.719  -3.068
  356    HB3  TYR  48           1HB      TYR  48  -9.122  -7.104  -2.476
  357    HD1  TYR  48           2HD      TYR  48 -10.487  -9.813  -4.575
  358    HD2  TYR  48           1HD      TYR  48 -11.221  -6.178  -2.527
  359    HE1  TYR  48           2HE      TYR  48 -12.909 -10.143  -4.893
  360    HE2  TYR  48           1HE      TYR  48 -13.656  -6.487  -2.824
  361    HH   TYR  48           HH       TYR  48 -14.994  -9.448  -3.952
  362    H    LEU  49           H        LEU  49  -9.302  -4.967  -3.730
  363    HA   LEU  49           HA       LEU  49 -11.338  -4.398  -5.618
  364    HB2  LEU  49           2HB      LEU  49  -9.745  -2.344  -4.113
  365    HB3  LEU  49           1HB      LEU  49 -11.390  -2.200  -4.693
  366    HG   LEU  49           HG       LEU  49 -10.555  -4.146  -2.579
  367   HD11  LEU  49          1HD1      LEU  49 -10.041  -1.917  -1.786
  368   HD12  LEU  49          2HD1      LEU  49 -11.465  -2.538  -0.951
  369   HD13  LEU  49          3HD1      LEU  49 -11.648  -1.357  -2.248
  370   HD21  LEU  49          3HD2      LEU  49 -12.667  -4.646  -3.713
  371   HD22  LEU  49          1HD2      LEU  49 -13.249  -3.021  -3.353
  372   HD23  LEU  49          2HD2      LEU  49 -12.946  -4.160  -2.041
  373    H    GLU  50           H        GLU  50  -8.186  -2.865  -5.204
  374    HA   GLU  50           HA       GLU  50  -8.464  -1.561  -7.781
  375    HB2  GLU  50           2HB      GLU  50  -6.281  -1.374  -5.706
  376    HB3  GLU  50           1HB      GLU  50  -6.365  -0.399  -7.167
  377    HG2  GLU  50           2HG      GLU  50  -8.336  -0.412  -4.895
  378    HG3  GLU  50           1HG      GLU  50  -7.183   0.860  -5.287
  379    H    GLY  51           H        GLY  51  -5.564  -3.138  -6.419
  380    HA2  GLY  51           2HA      GLY  51  -5.140  -5.170  -8.160
  381    HA3  GLY  51           1HA      GLY  51  -4.667  -3.756  -9.092
  382    H    THR  52           H        THR  52  -2.894  -5.822  -8.432
  383    HA   THR  52           HA       THR  52  -1.404  -5.209  -6.079
  384    HB   THR  52           HB       THR  52  -0.116  -6.716  -8.286
  385    HG1  THR  52           1HG      THR  52  -1.786  -8.402  -7.054
  386   HG21  THR  52          3HG2      THR  52  -0.571  -7.269  -5.355
  387   HG22  THR  52          1HG2      THR  52   0.890  -6.582  -6.064
  388   HG23  THR  52          2HG2      THR  52   0.422  -8.239  -6.443
  389    H    GLN  53           H        GLN  53  -1.108  -4.376  -9.506
  390    HA   GLN  53           HA       GLN  53   1.513  -3.275  -9.233
  391    HB2  GLN  53           2HB      GLN  53  -0.538  -2.907 -11.415
  392    HB3  GLN  53           1HB      GLN  53   1.161  -2.479 -11.519
  393    HG2  GLN  53           2HG      GLN  53   1.573  -4.927 -10.936
  394    HG3  GLN  53           1HG      GLN  53  -0.097  -5.176 -11.407
  395   HE21  GLN  53          1HE2      GLN  53   3.095  -4.340 -12.516
  396   HE22  GLN  53          2HE2      GLN  53   2.779  -4.555 -14.202
  397    H    LYS  54           H        LYS  54  -1.736  -2.023  -9.152
  398    HA   LYS  54           HA       LYS  54  -1.055   0.714  -8.871
  399    HB2  LYS  54           2HB      LYS  54  -3.299  -0.471  -9.440
  400    HB3  LYS  54           1HB      LYS  54  -3.478  -0.398  -7.696
  401    HG2  LYS  54           2HG      LYS  54  -3.079   1.983  -7.742
  402    HG3  LYS  54           1HG      LYS  54  -2.963   1.918  -9.500
  403    HD2  LYS  54           2HD      LYS  54  -5.213   1.280  -9.724
  404    HD3  LYS  54           1HD      LYS  54  -5.326   0.912  -8.007
  405    HE2  LYS  54           2HE      LYS  54  -5.180   3.254  -7.445
  406    HE3  LYS  54           1HE      LYS  54  -4.883   3.669  -9.133
  407    HZ1  LYS  54           3HZ      LYS  54  -7.211   4.028  -8.328
  408    HZ2  LYS  54           1HZ      LYS  54  -7.372   2.346  -8.204
  409    HZ3  LYS  54           2HZ      LYS  54  -7.077   3.062  -9.716
  410    H    ALA  55           H        ALA  55  -1.478  -1.938  -6.602
  411    HA   ALA  55           HA       ALA  55  -1.088  -0.330  -4.256
  412    HB1  ALA  55           1HB      ALA  55  -0.694  -2.473  -3.134
  413    HB2  ALA  55           2HB      ALA  55  -0.612  -3.290  -4.695
  414    HB3  ALA  55           3HB      ALA  55  -2.124  -2.555  -4.162
  415    H    LYS  56           H        LYS  56   1.068  -2.219  -6.383
  416    HA   LYS  56           HA       LYS  56   3.503  -1.591  -5.249
  417    HB2  LYS  56           2HB      LYS  56   3.047  -3.063  -7.262
  418    HB3  LYS  56           1HB      LYS  56   2.886  -1.592  -8.206
  419    HG2  LYS  56           2HG      LYS  56   5.162  -0.996  -7.755
  420    HG3  LYS  56           1HG      LYS  56   5.306  -2.365  -6.651
  421    HD2  LYS  56           2HD      LYS  56   4.964  -3.917  -8.473
  422    HD3  LYS  56           1HD      LYS  56   4.719  -2.581  -9.589
  423    HE2  LYS  56           2HE      LYS  56   7.259  -3.200  -8.091
  424    HE3  LYS  56           1HE      LYS  56   6.960  -3.535  -9.796
  425    HZ1  LYS  56           3HZ      LYS  56   6.566  -1.040  -9.991
  426    HZ2  LYS  56           1HZ      LYS  56   8.162  -1.561  -9.769
  427    HZ3  LYS  56           2HZ      LYS  56   7.298  -0.917  -8.469
  428    H    LYS  57           H        LYS  57   1.880   0.151  -7.900
  429    HA   LYS  57           HA       LYS  57   3.258   2.463  -7.998
  430    HB2  LYS  57           2HB      LYS  57   0.824   1.376  -8.870
  431    HB3  LYS  57           1HB      LYS  57   0.423   2.911  -8.159
  432    HG2  LYS  57           2HG      LYS  57   0.965   2.820 -10.635
  433    HG3  LYS  57           1HG      LYS  57   1.708   4.095  -9.668
  434    HD2  LYS  57           2HD      LYS  57   3.742   2.995  -9.605
  435    HD3  LYS  57           1HD      LYS  57   3.060   1.468 -10.134
  436    HE2  LYS  57           2HE      LYS  57   2.598   2.410 -12.250
  437    HE3  LYS  57           1HE      LYS  57   3.223   3.976 -11.774
  438    HZ1  LYS  57           3HZ      LYS  57   4.808   1.463 -11.906
  439    HZ2  LYS  57           1HZ      LYS  57   5.405   3.003 -11.515
  440    HZ3  LYS  57           2HZ      LYS  57   4.833   2.685 -13.077
  441    H    LEU  58           H        LEU  58   0.685   1.652  -5.715
  442    HA   LEU  58           HA       LEU  58   0.610   4.137  -4.378
  443    HB2  LEU  58           2HB      LEU  58  -1.143   2.322  -4.312
  444    HB3  LEU  58           1HB      LEU  58  -0.076   1.418  -3.265
  445    HG   LEU  58           HG       LEU  58  -0.479   2.738  -1.472
  446   HD11  LEU  58          1HD1      LEU  58  -1.186   5.079  -1.546
  447   HD12  LEU  58          2HD1      LEU  58  -1.321   4.994  -3.303
  448   HD13  LEU  58          3HD1      LEU  58   0.259   4.852  -2.530
  449   HD21  LEU  58          3HD2      LEU  58  -2.827   3.160  -1.304
  450   HD22  LEU  58          1HD2      LEU  58  -2.583   1.711  -2.279
  451   HD23  LEU  58          2HD2      LEU  58  -2.981   3.246  -3.060
  452    H    PHE  59           H        PHE  59   2.283   1.089  -3.641
  453    HA   PHE  59           HA       PHE  59   3.786   1.866  -1.444
  454    HB2  PHE  59           2HB      PHE  59   3.914  -0.399  -2.039
  455    HB3  PHE  59           1HB      PHE  59   4.283  -0.048  -3.716
  456    HD1  PHE  59           1HD      PHE  59   5.686   0.063  -0.289
  457    HD2  PHE  59           2HD      PHE  59   6.523  -0.065  -4.470
  458    HE1  PHE  59           1HE      PHE  59   8.068  -0.321   0.188
  459    HE2  PHE  59           2HE      PHE  59   8.899  -0.429  -3.983
  460    HZ   PHE  59           HZ       PHE  59   9.676  -0.568  -1.650
  461    H    LEU  60           H        LEU  60   4.620   2.154  -4.877
  462    HA   LEU  60           HA       LEU  60   7.074   3.399  -4.751
  463    HB2  LEU  60           2HB      LEU  60   4.834   3.428  -6.691
  464    HB3  LEU  60           1HB      LEU  60   6.052   4.664  -6.870
  465    HG   LEU  60           HG       LEU  60   6.406   2.782  -8.300
  466   HD11  LEU  60          1HD1      LEU  60   8.494   2.947  -6.142
  467   HD12  LEU  60          2HD1      LEU  60   8.327   4.074  -7.490
  468   HD13  LEU  60          3HD1      LEU  60   8.756   2.389  -7.795
  469   HD21  LEU  60          3HD2      LEU  60   6.731   1.167  -5.795
  470   HD22  LEU  60          1HD2      LEU  60   7.125   0.611  -7.422
  471   HD23  LEU  60          2HD2      LEU  60   5.455   0.998  -7.002
  472    H    GLN  61           H        GLN  61   3.918   4.995  -4.940
  473    HA   GLN  61           HA       GLN  61   4.625   7.637  -4.750
  474    HB2  GLN  61           2HB      GLN  61   2.345   6.279  -3.340
  475    HB3  GLN  61           1HB      GLN  61   2.481   8.002  -3.629
  476    HG2  GLN  61           2HG      GLN  61   2.370   5.931  -5.780
  477    HG3  GLN  61           1HG      GLN  61   1.008   6.824  -5.164
  478   HE21  GLN  61          1HE2      GLN  61   1.903   6.769  -7.817
  479   HE22  GLN  61          2HE2      GLN  61   2.326   8.384  -8.227
  480    H    HIS  62           H        HIS  62   3.544   5.756  -1.973
  481    HA   HIS  62           HA       HIS  62   4.384   7.474   0.038
  482    HB2  HIS  62           2HB      HIS  62   3.090   5.315   0.373
  483    HB3  HIS  62           1HB      HIS  62   4.617   4.467   0.253
  484    HD1  HIS  62           1HD      HIS  62   5.659   4.023   2.412
  485    HD2  HIS  62           2HD      HIS  62   3.222   7.386   2.520
  486    HE1  HIS  62           1HE      HIS  62   5.645   4.783   4.785
  487    HE2  HIS  62           2HE      HIS  62   4.327   6.931   4.810
  488    H    ILE  63           H        ILE  63   6.269   4.947  -1.565
  489    HA   ILE  63           HA       ILE  63   8.644   5.173  -0.196
  490    HB   ILE  63           HB       ILE  63   8.154   4.726  -3.114
  491   HG12  ILE  63          2HG1      ILE  63   7.445   3.043  -1.426
  492   HG13  ILE  63          1HG1      ILE  63   8.650   2.467  -2.545
  493   HG21  ILE  63          1HG2      ILE  63  10.571   3.908  -3.098
  494   HG22  ILE  63          2HG2      ILE  63  10.758   4.854  -1.613
  495   HG23  ILE  63          3HG2      ILE  63  10.316   5.652  -3.124
  496   HD11  ILE  63          3HD1      ILE  63   9.183   3.378   0.245
  497   HD12  ILE  63          1HD1      ILE  63  10.383   2.763  -0.891
  498   HD13  ILE  63          2HD1      ILE  63   9.102   1.704  -0.303
  499    H    HIS  64           H        HIS  64   7.470   7.148  -2.886
  500    HA   HIS  64           HA       HIS  64   9.791   8.792  -3.157
  501    HB2  HIS  64           2HB      HIS  64   8.183   8.779  -4.936
  502    HB3  HIS  64           1HB      HIS  64   6.860   9.082  -3.866
  503    HD1  HIS  64           1HD      HIS  64   7.615  11.446  -2.492
  504    HD2  HIS  64           2HD      HIS  64   8.352  11.009  -6.528
  505    HE1  HIS  64           1HE      HIS  64   7.914  13.799  -3.372
  506    HE2  HIS  64           2HE      HIS  64   8.412  13.511  -5.827
  507    H    ARG  65           H        ARG  65   6.776   9.047  -1.367
  508    HA   ARG  65           HA       ARG  65   7.163  11.551  -0.279
  509    HB2  ARG  65           2HB      ARG  65   5.683   9.204   0.587
  510    HB3  ARG  65           1HB      ARG  65   5.473  10.784   1.257
  511    HG2  ARG  65           2HG      ARG  65   5.117  11.603  -0.968
  512    HG3  ARG  65           1HG      ARG  65   5.127   9.957  -1.555
  513    HD2  ARG  65           2HD      ARG  65   2.919  10.623  -1.247
  514    HD3  ARG  65           1HD      ARG  65   3.342   9.458  -0.010
  515    HE   ARG  65           HE       ARG  65   3.752  11.972   1.073
  516   HH11  ARG  65          1HH1      ARG  65   1.038  10.138  -0.133
  517   HH12  ARG  65          2HH1      ARG  65  -0.139  10.983   0.823
  518   HH21  ARG  65          1HH2      ARG  65   2.231  13.113   2.333
  519   HH22  ARG  65          2HH2      ARG  65   0.543  12.677   2.241
  520    H    LEU  66           H        LEU  66   7.897   8.392   1.025
  521    HA   LEU  66           HA       LEU  66   9.306   8.981   3.351
  522    HB2  LEU  66           2HB      LEU  66   9.871   6.882   1.286
  523    HB3  LEU  66           1HB      LEU  66  10.476   6.844   2.909
  524    HG   LEU  66           HG       LEU  66   7.601   6.734   2.107
  525   HD11  LEU  66          1HD1      LEU  66   9.451   4.580   3.117
  526   HD12  LEU  66          2HD1      LEU  66   8.806   4.715   1.481
  527   HD13  LEU  66          3HD1      LEU  66   7.720   4.399   2.835
  528   HD21  LEU  66          3HD2      LEU  66   8.932   6.417   4.778
  529   HD22  LEU  66          1HD2      LEU  66   7.212   6.211   4.455
  530   HD23  LEU  66          2HD2      LEU  66   7.967   7.794   4.258
  531    H    LYS  67           H        LYS  67  10.401   8.724   0.072
  532    HA   LYS  67           HA       LYS  67  13.101   9.273   0.385
  533    HB2  LYS  67           2HB      LYS  67  11.161   9.742  -1.874
  534    HB3  LYS  67           1HB      LYS  67  12.876   9.853  -2.045
  535    HG2  LYS  67           2HG      LYS  67  12.923   7.522  -1.103
  536    HG3  LYS  67           1HG      LYS  67  11.229   7.476  -1.530
  537    HD2  LYS  67           2HD      LYS  67  13.600   7.756  -3.286
  538    HD3  LYS  67           1HD      LYS  67  12.342   6.538  -3.353
  539    HE2  LYS  67           2HE      LYS  67  10.786   8.499  -3.881
  540    HE3  LYS  67           1HE      LYS  67  12.255   9.409  -4.207
  541    HZ1  LYS  67           3HZ      LYS  67  11.428   6.889  -5.565
  542    HZ2  LYS  67           1HZ      LYS  67  12.882   7.720  -5.838
  543    HZ3  LYS  67           2HZ      LYS  67  11.404   8.450  -6.242
  544    H    HIS  68           H        HIS  68  10.404  11.420  -0.325
  545    HA   HIS  68           HA       HIS  68  11.444  13.721   0.756
  546    HB2  HIS  68           2HB      HIS  68  11.901  14.934  -1.371
  547    HB3  HIS  68           1HB      HIS  68  13.116  13.768  -0.922
  548    HD1  HIS  68           1HD      HIS  68  10.661  11.726  -2.216
  549    HD2  HIS  68           2HD      HIS  68  13.253  14.450  -3.963
  550    HE1  HIS  68           1HE      HIS  68  10.849  11.033  -4.642
  551    HE2  HIS  68           2HE      HIS  68  12.305  12.790  -5.705
  552    H    GLU  69           H        GLU  69   9.367  14.070   1.457
  553    HA   GLU  69           HA       GLU  69   7.196  13.956  -0.422
  554    HB2  GLU  69           2HB      GLU  69   7.387  13.618   2.298
  555    HB3  GLU  69           1HB      GLU  69   6.667  15.203   2.164
  556    HG2  GLU  69           2HG      GLU  69   4.904  14.309   0.758
  557    HG3  GLU  69           1HG      GLU  69   5.639  12.725   0.901
  Start of MODEL    2
    1    H    SER   5           H        SER   5 -18.684   6.613   1.100
    2    HA   SER   5           HA       SER   5 -18.142   3.890   0.263
    3    HB2  SER   5           2HB      SER   5 -16.188   5.157  -0.930
    4    HB3  SER   5           1HB      SER   5 -17.838   5.368  -1.515
    5    HG   SER   5           HG       SER   5 -16.130   7.205  -0.475
    6    H    GLN   6           H        GLN   6 -17.863   3.584   2.734
    7    HA   GLN   6           HA       GLN   6 -15.377   4.519   3.846
    8    HB2  GLN   6           2HB      GLN   6 -16.056   3.215   5.846
    9    HB3  GLN   6           1HB      GLN   6 -17.276   4.364   5.318
   10    HG2  GLN   6           2HG      GLN   6 -18.550   2.575   4.288
   11    HG3  GLN   6           1HG      GLN   6 -17.303   1.410   4.729
   12   HE21  GLN   6          1HE2      GLN   6 -16.835   2.585   7.346
   13   HE22  GLN   6          2HE2      GLN   6 -18.201   2.156   8.316
   14    H    GLN   7           H        GLN   7 -15.792   2.306   1.607
   15    HA   GLN   7           HA       GLN   7 -13.455   0.810   2.596
   16    HB2  GLN   7           2HB      GLN   7 -15.630  -0.510   2.243
   17    HB3  GLN   7           1HB      GLN   7 -15.320  -0.305   0.532
   18    HG2  GLN   7           2HG      GLN   7 -14.491  -2.415   1.286
   19    HG3  GLN   7           1HG      GLN   7 -13.164  -1.369   0.844
   20   HE21  GLN   7          1HE2      GLN   7 -11.743  -2.656   2.105
   21   HE22  GLN   7          2HE2      GLN   7 -11.735  -2.503   3.831
   22    H    ILE   8           H        ILE   8 -15.088   2.290  -0.132
   23    HA   ILE   8           HA       ILE   8 -13.163   1.752  -2.089
   24    HB   ILE   8           HB       ILE   8 -15.072   4.078  -2.004
   25   HG12  ILE   8          2HG1      ILE   8 -15.465   1.349  -3.158
   26   HG13  ILE   8          1HG1      ILE   8 -16.166   1.895  -1.651
   27   HG21  ILE   8          1HG2      ILE   8 -13.750   2.723  -4.343
   28   HG22  ILE   8          2HG2      ILE   8 -13.366   4.332  -3.728
   29   HG23  ILE   8          3HG2      ILE   8 -14.946   4.013  -4.445
   30   HD11  ILE   8          3HD1      ILE   8 -17.786   1.969  -3.451
   31   HD12  ILE   8          1HD1      ILE   8 -16.724   3.025  -4.382
   32   HD13  ILE   8          2HD1      ILE   8 -17.428   3.594  -2.869
   33    H    ALA   9           H        ALA   9 -13.100   3.989   0.496
   34    HA   ALA   9           HA       ALA   9 -10.811   5.373  -0.739
   35    HB1  ALA   9           1HB      ALA   9 -12.640   6.404   1.417
   36    HB2  ALA   9           2HB      ALA   9 -12.696   6.860  -0.285
   37    HB3  ALA   9           3HB      ALA   9 -11.290   7.280   0.693
   38    H    THR  10           H        THR  10 -12.020   4.690   2.484
   39    HA   THR  10           HA       THR  10  -9.615   4.894   3.829
   40    HB   THR  10           HB       THR  10 -10.983   3.355   5.490
   41    HG1  THR  10           1HG      THR  10 -12.997   3.108   4.866
   42   HG21  THR  10          3HG2      THR  10 -10.269   5.652   5.903
   43   HG22  THR  10          1HG2      THR  10 -11.946   5.419   6.394
   44   HG23  THR  10          2HG2      THR  10 -11.579   6.246   4.881
   45    H    ALA  11           H        ALA  11 -10.787   2.117   2.025
   46    HA   ALA  11           HA       ALA  11  -9.116   0.222   3.351
   47    HB1  ALA  11           1HB      ALA  11 -10.062   0.139   0.488
   48    HB2  ALA  11           2HB      ALA  11 -10.955  -0.492   1.871
   49    HB3  ALA  11           3HB      ALA  11  -9.408  -1.211   1.418
   50    H    LYS  12           H        LYS  12  -8.724   2.321   0.541
   51    HA   LYS  12           HA       LYS  12  -6.048   1.642  -0.019
   52    HB2  LYS  12           2HB      LYS  12  -7.273   2.941  -1.633
   53    HB3  LYS  12           1HB      LYS  12  -7.570   4.215  -0.460
   54    HG2  LYS  12           2HG      LYS  12  -5.257   4.805  -0.406
   55    HG3  LYS  12           1HG      LYS  12  -4.832   3.417  -1.406
   56    HD2  LYS  12           2HD      LYS  12  -6.004   4.355  -3.286
   57    HD3  LYS  12           1HD      LYS  12  -6.598   5.689  -2.293
   58    HE2  LYS  12           2HE      LYS  12  -3.667   5.149  -2.661
   59    HE3  LYS  12           1HE      LYS  12  -4.575   6.153  -3.785
   60    HZ1  LYS  12           3HZ      LYS  12  -5.213   7.558  -1.868
   61    HZ2  LYS  12           1HZ      LYS  12  -3.539   7.535  -2.138
   62    HZ3  LYS  12           2HZ      LYS  12  -4.203   6.630  -0.870
   63    H    ASP  13           H        ASP  13  -7.505   4.208   1.882
   64    HA   ASP  13           HA       ASP  13  -5.256   5.452   2.897
   65    HB2  ASP  13           2HB      ASP  13  -7.627   6.215   3.204
   66    HB3  ASP  13           1HB      ASP  13  -7.835   4.932   4.391
   67    H    LYS  14           H        LYS  14  -6.947   2.604   4.203
   68    HA   LYS  14           HA       LYS  14  -5.307   2.318   6.465
   69    HB2  LYS  14           2HB      LYS  14  -7.626   1.351   6.044
   70    HB3  LYS  14           1HB      LYS  14  -6.841   0.150   5.028
   71    HG2  LYS  14           2HG      LYS  14  -5.516  -0.559   6.928
   72    HG3  LYS  14           1HG      LYS  14  -6.354   0.598   7.955
   73    HD2  LYS  14           2HD      LYS  14  -8.504  -0.539   7.255
   74    HD3  LYS  14           1HD      LYS  14  -7.500  -1.808   6.550
   75    HE2  LYS  14           2HE      LYS  14  -8.139  -2.540   8.721
   76    HE3  LYS  14           1HE      LYS  14  -6.434  -2.091   8.798
   77    HZ1  LYS  14           3HZ      LYS  14  -8.718  -0.413   9.691
   78    HZ2  LYS  14           1HZ      LYS  14  -7.081   0.038   9.755
   79    HZ3  LYS  14           2HZ      LYS  14  -7.642  -1.252  10.703
   80    H    TYR  15           H        TYR  15  -5.341   0.844   3.239
   81    HA   TYR  15           HA       TYR  15  -3.108  -0.807   3.494
   82    HB2  TYR  15           2HB      TYR  15  -4.491  -1.002   1.534
   83    HB3  TYR  15           1HB      TYR  15  -4.169   0.670   1.077
   84    HD1  TYR  15           2HD      TYR  15  -2.687  -2.686   1.379
   85    HD2  TYR  15           1HD      TYR  15  -2.176   1.272  -0.134
   86    HE1  TYR  15           2HE      TYR  15  -0.748  -3.437   0.080
   87    HE2  TYR  15           1HE      TYR  15  -0.229   0.512  -1.434
   88    HH   TYR  15           HH       TYR  15   1.407  -1.274  -1.425
   89    H    GLU  16           H        GLU  16  -3.306   2.615   2.555
   90    HA   GLU  16           HA       GLU  16  -0.673   3.107   2.089
   91    HB2  GLU  16           2HB      GLU  16  -2.951   4.690   3.165
   92    HB3  GLU  16           1HB      GLU  16  -1.396   5.421   2.892
   93    HG2  GLU  16           2HG      GLU  16  -1.624   4.394   0.556
   94    HG3  GLU  16           1HG      GLU  16  -3.324   4.279   0.958
   95    H    TRP  17           H        TRP  17  -2.380   2.808   5.233
   96    HA   TRP  17           HA       TRP  17  -0.007   3.458   6.683
   97    HB2  TRP  17           2HB      TRP  17  -1.863   3.466   8.105
   98    HB3  TRP  17           1HB      TRP  17  -2.482   1.982   7.434
   99    HD1  TRP  17           HD       TRP  17   0.779   2.807   9.286
  100    HE1  TRP  17           1HE      TRP  17   1.171   0.986  11.048
  101    HE3  TRP  17           3HE      TRP  17  -3.093   0.011   8.185
  102    HZ2  TRP  17           2HZ      TRP  17  -0.149  -1.386  11.879
  103    HZ3  TRP  17           3HZ      TRP  17  -3.568  -2.060   9.475
  104    HH2  TRP  17           HH       TRP  17  -2.073  -2.731  11.273
  105    H    LEU  18           H        LEU  18  -1.524   0.413   5.625
  106    HA   LEU  18           HA       LEU  18   0.197  -1.367   6.763
  107    HB2  LEU  18           2HB      LEU  18  -1.254  -1.384   4.122
  108    HB3  LEU  18           1HB      LEU  18  -0.100  -2.657   4.432
  109    HG   LEU  18           HG       LEU  18  -2.462  -3.303   4.873
  110   HD11  LEU  18          1HD1      LEU  18  -2.018  -4.361   7.030
  111   HD12  LEU  18          2HD1      LEU  18  -0.649  -3.281   7.294
  112   HD13  LEU  18          3HD1      LEU  18  -0.606  -4.454   5.977
  113   HD21  LEU  18          3HD2      LEU  18  -2.237  -1.299   7.110
  114   HD22  LEU  18          1HD2      LEU  18  -3.554  -2.448   6.874
  115   HD23  LEU  18          2HD2      LEU  18  -3.275  -1.170   5.689
  116    H    VAL  19           H        VAL  19   0.620   0.256   3.640
  117    HA   VAL  19           HA       VAL  19   3.142  -0.846   3.045
  118    HB   VAL  19           HB       VAL  19   1.527   0.423   1.499
  119   HG11  VAL  19          1HG1      VAL  19   2.054   2.769   1.075
  120   HG12  VAL  19          2HG1      VAL  19   3.096   2.776   2.499
  121   HG13  VAL  19          3HG1      VAL  19   1.363   2.507   2.677
  122   HG21  VAL  19          3HG2      VAL  19   4.496   0.883   1.310
  123   HG22  VAL  19          1HG2      VAL  19   3.352   1.055  -0.022
  124   HG23  VAL  19          2HG2      VAL  19   3.607  -0.523   0.723
  125    H    SER  20           H        SER  20   2.274   2.188   4.684
  126    HA   SER  20           HA       SER  20   5.003   2.915   5.165
  127    HB2  SER  20           2HB      SER  20   4.080   4.686   6.526
  128    HB3  SER  20           1HB      SER  20   3.139   4.555   5.054
  129    HG   SER  20           HG       SER  20   2.005   2.956   6.816
  130    H    ARG  21           H        ARG  21   2.821   0.771   6.557
  131    HA   ARG  21           HA       ARG  21   3.733   0.756   9.206
  132    HB2  ARG  21           2HB      ARG  21   1.664  -0.209   9.307
  133    HB3  ARG  21           1HB      ARG  21   1.695  -0.592   7.600
  134    HG2  ARG  21           2HG      ARG  21   2.945  -2.518   7.999
  135    HG3  ARG  21           1HG      ARG  21   3.175  -2.117   9.663
  136    HD2  ARG  21           2HD      ARG  21   0.765  -2.349  10.045
  137    HD3  ARG  21           1HD      ARG  21   0.557  -2.787   8.354
  138    HE   ARG  21           HE       ARG  21   2.453  -4.501   9.564
  139   HH11  ARG  21          1HH1      ARG  21  -0.994  -3.884   9.514
  140   HH12  ARG  21          2HH1      ARG  21  -1.423  -5.513   9.947
  141   HH21  ARG  21          1HH2      ARG  21   1.900  -6.620  10.155
  142   HH22  ARG  21          2HH2      ARG  21   0.227  -7.062  10.331
  143    H    ILE  22           H        ILE  22   4.536  -0.865   6.292
  144    HA   ILE  22           HA       ILE  22   6.659  -2.372   7.633
  145    HB   ILE  22           HB       ILE  22   6.000  -2.487   4.715
  146   HG12  ILE  22          2HG1      ILE  22   4.040  -2.874   6.347
  147   HG13  ILE  22          1HG1      ILE  22   4.331  -4.041   5.098
  148   HG21  ILE  22          1HG2      ILE  22   8.073  -3.522   5.296
  149   HG22  ILE  22          2HG2      ILE  22   6.890  -4.809   5.042
  150   HG23  ILE  22          3HG2      ILE  22   7.336  -4.336   6.676
  151   HD11  ILE  22          3HD1      ILE  22   5.451  -5.488   6.732
  152   HD12  ILE  22          1HD1      ILE  22   3.782  -5.133   7.175
  153   HD13  ILE  22          2HD1      ILE  22   5.107  -4.294   7.985
  154    H    VAL  23           H        VAL  23   6.262  -0.363   4.724
  155    HA   VAL  23           HA       VAL  23   9.053   0.152   4.372
  156    HB   VAL  23           HB       VAL  23   6.641   1.536   3.213
  157   HG11  VAL  23          1HG1      VAL  23   8.172   2.162   1.399
  158   HG12  VAL  23          2HG1      VAL  23   9.505   1.415   2.280
  159   HG13  VAL  23          3HG1      VAL  23   8.681   2.823   2.952
  160   HG21  VAL  23          3HG2      VAL  23   8.225  -0.791   2.133
  161   HG22  VAL  23          1HG2      VAL  23   6.915   0.043   1.300
  162   HG23  VAL  23          2HG2      VAL  23   6.583  -0.860   2.779
  163    H    LYS  24           H        LYS  24  10.251   1.697   5.167
  164    HA   LYS  24           HA       LYS  24   8.997   3.944   6.609
  165    HB2  LYS  24           2HB      LYS  24   9.635   2.076   8.144
  166    HB3  LYS  24           1HB      LYS  24  11.285   2.337   7.646
  167    HG2  LYS  24           2HG      LYS  24  10.935   3.449   9.677
  168    HG3  LYS  24           1HG      LYS  24  11.142   4.655   8.427
  169    HD2  LYS  24           2HD      LYS  24   8.677   4.701   8.241
  170    HD3  LYS  24           1HD      LYS  24   8.616   3.754   9.728
  171    HE2  LYS  24           2HE      LYS  24   8.416   6.102  10.220
  172    HE3  LYS  24           1HE      LYS  24   9.916   5.478  10.875
  173    HZ1  LYS  24           3HZ      LYS  24  10.342   7.570   9.863
  174    HZ2  LYS  24           1HZ      LYS  24   9.549   7.123   8.430
  175    HZ3  LYS  24           2HZ      LYS  24  11.018   6.387   8.858
  176    H    ASN  25           H        ASN  25  12.056   2.537   5.548
  177    HA   ASN  25           HA       ASN  25  13.257   5.169   5.248
  178    HB2  ASN  25           2HB      ASN  25  14.386   3.263   6.428
  179    HB3  ASN  25           1HB      ASN  25  14.514   2.511   4.857
  180   HD21  ASN  25          1HD2      ASN  25  16.761   2.487   5.019
  181   HD22  ASN  25          2HD2      ASN  25  17.698   3.929   4.783
  182    H    HIS  26           H        HIS  26  11.311   3.481   3.413
  183    HA   HIS  26           HA       HIS  26  10.798   3.167   1.258
  184    HB2  HIS  26           2HB      HIS  26  11.177   4.871  -0.277
  185    HB3  HIS  26           1HB      HIS  26  11.273   5.691   1.264
  186    HD1  HIS  26           1HD      HIS  26  12.872   7.475   1.006
  187    HD2  HIS  26           2HD      HIS  26  14.202   4.031  -0.883
  188    HE1  HIS  26           1HE      HIS  26  15.178   7.995   0.219
  189    HE2  HIS  26           2HE      HIS  26  16.042   5.851  -0.802
  190    H    ASN  27           H        ASN  27  13.738   2.425   2.396
  191    HA   ASN  27           HA       ASN  27  14.889   1.533  -0.110
  192    HB2  ASN  27           2HB      ASN  27  15.860   1.892   2.681
  193    HB3  ASN  27           1HB      ASN  27  16.656   0.682   1.701
  194   HD21  ASN  27          1HD2      ASN  27  15.949   4.115   1.964
  195   HD22  ASN  27          2HD2      ASN  27  17.220   4.566   0.903
  196    H    GLU  28           H        GLU  28  12.471   0.539   1.432
  197    HA   GLU  28           HA       GLU  28  12.847  -2.243   1.846
  198    HB2  GLU  28           2HB      GLU  28  10.467  -0.454   1.373
  199    HB3  GLU  28           1HB      GLU  28  10.287  -2.194   1.471
  200    HG2  GLU  28           2HG      GLU  28   9.753  -1.004   3.557
  201    HG3  GLU  28           1HG      GLU  28  11.002  -2.220   3.740
  202    H    ASN  29           H        ASN  29  11.221  -3.669   0.417
  203    HA   ASN  29           HA       ASN  29  11.592  -3.021  -2.426
  204    HB2  ASN  29           2HB      ASN  29  13.294  -4.671  -1.877
  205    HB3  ASN  29           1HB      ASN  29  12.093  -5.702  -1.108
  206   HD21  ASN  29          1HD2      ASN  29  13.358  -4.524  -4.113
  207   HD22  ASN  29          2HD2      ASN  29  12.564  -5.670  -5.135
  208    H    TRP  30           H        TRP  30   9.701  -3.016  -3.471
  209    HA   TRP  30           HA       TRP  30   7.256  -3.195  -2.314
  210    HB2  TRP  30           2HB      TRP  30   7.231  -2.259  -4.416
  211    HB3  TRP  30           1HB      TRP  30   8.096  -3.589  -5.140
  212    HD1  TRP  30           HD       TRP  30   6.648  -4.907  -6.614
  213    HE1  TRP  30           1HE      TRP  30   4.169  -5.643  -6.719
  214    HE3  TRP  30           3HE      TRP  30   5.047  -2.589  -2.423
  215    HZ2  TRP  30           2HZ      TRP  30   1.830  -5.229  -5.169
  216    HZ3  TRP  30           3HZ      TRP  30   2.694  -2.778  -1.778
  217    HH2  TRP  30           HH       TRP  30   1.108  -4.071  -3.122
  218    H    LEU  31           H        LEU  31   8.720  -5.879  -4.105
  219    HA   LEU  31           HA       LEU  31   6.565  -7.622  -3.854
  220    HB2  LEU  31           2HB      LEU  31   9.498  -8.096  -4.263
  221    HB3  LEU  31           1HB      LEU  31   8.282  -9.349  -4.391
  222    HG   LEU  31           HG       LEU  31   8.783  -8.641  -6.553
  223   HD11  LEU  31          1HD1      LEU  31   6.453  -9.075  -6.212
  224   HD12  LEU  31          2HD1      LEU  31   6.660  -7.793  -7.405
  225   HD13  LEU  31          3HD1      LEU  31   6.194  -7.392  -5.752
  226   HD21  LEU  31          3HD2      LEU  31   8.790  -6.440  -7.410
  227   HD22  LEU  31          1HD2      LEU  31   9.811  -6.471  -5.975
  228   HD23  LEU  31          2HD2      LEU  31   8.180  -5.797  -5.889
  229    H    SER  32           H        SER  32   9.627  -7.552  -2.068
  230    HA   SER  32           HA       SER  32   9.091  -9.452  -0.164
  231    HB2  SER  32           2HB      SER  32  10.709  -6.919  -0.062
  232    HB3  SER  32           1HB      SER  32  10.715  -8.116   1.202
  233    HG   SER  32           HG       SER  32  12.428  -8.378  -0.364
  234    H    VAL  33           H        VAL  33   8.298  -5.985  -0.105
  235    HA   VAL  33           HA       VAL  33   7.248  -6.055   2.533
  236    HB   VAL  33           HB       VAL  33   6.561  -4.078   0.320
  237   HG11  VAL  33          1HG1      VAL  33   5.891  -2.577   2.022
  238   HG12  VAL  33          2HG1      VAL  33   6.468  -3.654   3.289
  239   HG13  VAL  33          3HG1      VAL  33   5.057  -4.102   2.323
  240   HG21  VAL  33          3HG2      VAL  33   8.303  -2.668   1.253
  241   HG22  VAL  33          1HG2      VAL  33   8.969  -4.198   0.683
  242   HG23  VAL  33          2HG2      VAL  33   8.725  -3.932   2.411
  243    H    SER  34           H        SER  34   5.977  -6.776  -0.628
  244    HA   SER  34           HA       SER  34   3.235  -7.009   0.171
  245    HB2  SER  34           2HB      SER  34   4.666  -8.259  -2.196
  246    HB3  SER  34           1HB      SER  34   2.928  -8.074  -2.012
  247    HG   SER  34           HG       SER  34   4.841  -5.988  -2.187
  248    H    ARG  35           H        ARG  35   6.007  -9.207  -0.006
  249    HA   ARG  35           HA       ARG  35   4.908 -11.630   0.657
  250    HB2  ARG  35           2HB      ARG  35   7.383 -10.338   1.772
  251    HB3  ARG  35           1HB      ARG  35   7.024 -12.026   1.728
  252    HG2  ARG  35           2HG      ARG  35   7.315 -10.385  -0.669
  253    HG3  ARG  35           1HG      ARG  35   8.590 -11.323   0.058
  254    HD2  ARG  35           2HD      ARG  35   7.092 -13.314  -0.150
  255    HD3  ARG  35           1HD      ARG  35   6.046 -12.291  -1.113
  256    HE   ARG  35           HE       ARG  35   8.379 -12.040  -2.408
  257   HH11  ARG  35          1HH1      ARG  35   6.591 -14.824  -1.258
  258   HH12  ARG  35          2HH1      ARG  35   7.267 -15.906  -2.440
  259   HH21  ARG  35          1HH2      ARG  35   9.263 -13.452  -3.966
  260   HH22  ARG  35          2HH2      ARG  35   8.782 -15.122  -3.986
  261    H    LYS  36           H        LYS  36   6.204  -9.175   2.712
  262    HA   LYS  36           HA       LYS  36   5.304 -10.016   5.189
  263    HB2  LYS  36           2HB      LYS  36   6.051  -7.346   4.084
  264    HB3  LYS  36           1HB      LYS  36   5.661  -7.577   5.769
  265    HG2  LYS  36           2HG      LYS  36   7.498  -9.465   4.546
  266    HG3  LYS  36           1HG      LYS  36   8.092  -7.861   4.832
  267    HD2  LYS  36           2HD      LYS  36   7.748  -7.971   7.027
  268    HD3  LYS  36           1HD      LYS  36   6.660  -9.340   6.932
  269    HE2  LYS  36           2HE      LYS  36   9.099  -9.650   7.742
  270    HE3  LYS  36           1HE      LYS  36   8.379 -10.852   6.683
  271    HZ1  LYS  36           3HZ      LYS  36  10.250  -8.664   5.933
  272    HZ2  LYS  36           1HZ      LYS  36   9.489  -9.693   4.820
  273    HZ3  LYS  36           2HZ      LYS  36  10.579 -10.327   5.947
  274    H    MET  37           H        MET  37   3.871  -7.654   3.028
  275    HA   MET  37           HA       MET  37   1.669  -7.023   4.683
  276    HB2  MET  37           2HB      MET  37   2.456  -6.424   1.889
  277    HB3  MET  37           1HB      MET  37   0.778  -6.164   2.325
  278    HG2  MET  37           2HG      MET  37   1.611  -4.775   4.251
  279    HG3  MET  37           1HG      MET  37   3.220  -4.896   3.543
  280    HE1  MET  37           3HE      MET  37   2.493  -3.186   0.002
  281    HE2  MET  37           1HE      MET  37   2.278  -4.892   0.392
  282    HE3  MET  37           2HE      MET  37   3.710  -4.031   0.957
  283    H    GLN  38           H        GLN  38   2.062  -9.659   2.431
  284    HA   GLN  38           HA       GLN  38  -0.669  -9.997   1.762
  285    HB2  GLN  38           2HB      GLN  38  -0.069 -12.046   0.785
  286    HB3  GLN  38           1HB      GLN  38   1.326 -11.004   0.590
  287    HG2  GLN  38           2HG      GLN  38   2.398 -12.861   1.270
  288    HG3  GLN  38           1HG      GLN  38   2.046 -12.178   2.853
  289   HE21  GLN  38          1HE2      GLN  38   2.060 -14.168   3.876
  290   HE22  GLN  38          2HE2      GLN  38   0.793 -15.326   3.669
  291    H    ALA  39           H        ALA  39   1.110 -10.734   4.569
  292    HA   ALA  39           HA       ALA  39  -0.715 -12.709   5.596
  293    HB1  ALA  39           1HB      ALA  39   1.365 -11.085   7.061
  294    HB2  ALA  39           2HB      ALA  39   1.635 -12.653   6.299
  295    HB3  ALA  39           3HB      ALA  39   0.537 -12.516   7.672
  296    H    SER  40           H        SER  40  -1.213  -9.629   4.911
  297    HA   SER  40           HA       SER  40  -3.013  -9.188   7.183
  298    HB2  SER  40           2HB      SER  40  -1.570  -7.066   5.573
  299    HB3  SER  40           1HB      SER  40  -2.627  -6.797   6.956
  300    HG   SER  40           HG       SER  40  -0.565  -8.548   7.433
  301    HA   PRO  41           HA       PRO  41  -6.200  -9.428   4.059
  302    HB2  PRO  41           2HB      PRO  41  -8.063  -8.235   5.730
  303    HB3  PRO  41           1HB      PRO  41  -7.746  -9.951   5.624
  304    HG2  PRO  41           2HG      PRO  41  -6.820  -8.012   7.599
  305    HG3  PRO  41           1HG      PRO  41  -7.213  -9.707   7.800
  306    HD2  PRO  41           2HD      PRO  41  -4.669  -8.823   7.759
  307    HD3  PRO  41           1HD      PRO  41  -5.124 -10.415   7.119
  308    H    GLU  42           H        GLU  42  -5.221  -6.717   5.850
  309    HA   GLU  42           HA       GLU  42  -6.589  -4.704   4.567
  310    HB2  GLU  42           2HB      GLU  42  -3.760  -4.401   5.454
  311    HB3  GLU  42           1HB      GLU  42  -5.043  -3.201   5.484
  312    HG2  GLU  42           2HG      GLU  42  -4.661  -5.562   7.297
  313    HG3  GLU  42           1HG      GLU  42  -4.672  -3.853   7.714
  314    H    TYR  43           H        TYR  43  -3.320  -5.824   3.840
  315    HA   TYR  43           HA       TYR  43  -2.959  -4.419   1.459
  316    HB2  TYR  43           2HB      TYR  43  -0.995  -5.326   2.234
  317    HB3  TYR  43           1HB      TYR  43  -1.754  -6.830   2.724
  318    HD1  TYR  43           1HD      TYR  43  -0.259  -4.997  -0.110
  319    HD2  TYR  43           2HD      TYR  43  -1.912  -8.686   1.216
  320    HE1  TYR  43           1HE      TYR  43   0.631  -6.117  -2.116
  321    HE2  TYR  43           2HE      TYR  43  -1.026  -9.809  -0.779
  322    HH   TYR  43           HH       TYR  43  -0.382  -9.170  -3.097
  323    H    GLN  44           H        GLN  44  -4.304  -7.634   2.060
  324    HA   GLN  44           HA       GLN  44  -4.692  -8.480  -0.566
  325    HB2  GLN  44           2HB      GLN  44  -6.520  -8.965   1.777
  326    HB3  GLN  44           1HB      GLN  44  -6.408  -9.942   0.319
  327    HG2  GLN  44           2HG      GLN  44  -4.089  -9.515   2.156
  328    HG3  GLN  44           1HG      GLN  44  -5.275 -10.791   2.376
  329   HE21  GLN  44          1HE2      GLN  44  -3.741 -12.416   2.049
  330   HE22  GLN  44          2HE2      GLN  44  -3.084 -12.759   0.486
  331    H    ASP  45           H        ASP  45  -7.118  -7.127   1.589
  332    HA   ASP  45           HA       ASP  45  -9.236  -6.829  -0.100
  333    HB2  ASP  45           2HB      ASP  45  -9.135  -6.259   2.375
  334    HB3  ASP  45           1HB      ASP  45  -8.540  -4.677   1.887
  335    H    TYR  46           H        TYR  46  -6.700  -4.396   0.355
  336    HA   TYR  46           HA       TYR  46  -7.784  -2.565  -1.509
  337    HB2  TYR  46           2HB      TYR  46  -6.198  -1.770   0.137
  338    HB3  TYR  46           1HB      TYR  46  -4.952  -2.834  -0.514
  339    HD1  TYR  46           2HD      TYR  46  -7.148   0.019  -1.436
  340    HD2  TYR  46           1HD      TYR  46  -3.528  -2.071  -2.219
  341    HE1  TYR  46           2HE      TYR  46  -6.485   1.771  -3.023
  342    HE2  TYR  46           1HE      TYR  46  -2.860  -0.324  -3.816
  343    HH   TYR  46           HH       TYR  46  -4.674   2.639  -4.161
  344    H    VAL  47           H        VAL  47  -5.361  -5.085  -1.859
  345    HA   VAL  47           HA       VAL  47  -4.775  -4.341  -4.515
  346    HB   VAL  47           HB       VAL  47  -4.200  -6.860  -2.966
  347   HG11  VAL  47          1HG1      VAL  47  -3.202  -6.162  -5.723
  348   HG12  VAL  47          2HG1      VAL  47  -4.302  -7.478  -5.316
  349   HG13  VAL  47          3HG1      VAL  47  -2.637  -7.509  -4.735
  350   HG21  VAL  47          3HG2      VAL  47  -1.907  -6.007  -2.952
  351   HG22  VAL  47          1HG2      VAL  47  -3.036  -4.872  -2.212
  352   HG23  VAL  47          2HG2      VAL  47  -2.441  -4.582  -3.845
  353    H    TYR  48           H        TYR  48  -7.243  -6.182  -3.064
  354    HA   TYR  48           HA       TYR  48  -8.086  -7.674  -5.333
  355    HB2  TYR  48           2HB      TYR  48  -8.795  -8.525  -3.306
  356    HB3  TYR  48           1HB      TYR  48  -9.158  -6.948  -2.641
  357    HD1  TYR  48           1HD      TYR  48 -10.374  -9.573  -4.923
  358    HD2  TYR  48           2HD      TYR  48 -11.247  -5.993  -2.839
  359    HE1  TYR  48           1HE      TYR  48 -12.772  -9.891  -5.420
  360    HE2  TYR  48           2HE      TYR  48 -13.656  -6.284  -3.317
  361    HH   TYR  48           HH       TYR  48 -15.066  -7.436  -4.979
  362    H    LEU  49           H        LEU  49  -9.258  -4.748  -3.727
  363    HA   LEU  49           HA       LEU  49 -11.250  -4.034  -5.579
  364    HB2  LEU  49           2HB      LEU  49  -9.577  -2.096  -4.006
  365    HB3  LEU  49           1HB      LEU  49 -11.216  -1.863  -4.573
  366    HG   LEU  49           HG       LEU  49 -10.422  -3.899  -2.523
  367   HD11  LEU  49          1HD1      LEU  49  -9.932  -1.688  -1.670
  368   HD12  LEU  49          2HD1      LEU  49 -11.366  -2.334  -0.870
  369   HD13  LEU  49          3HD1      LEU  49 -11.535  -1.125  -2.143
  370   HD21  LEU  49          3HD2      LEU  49 -12.513  -4.378  -3.704
  371   HD22  LEU  49          1HD2      LEU  49 -13.108  -2.766  -3.307
  372   HD23  LEU  49          2HD2      LEU  49 -12.820  -3.940  -2.023
  373    H    GLU  50           H        GLU  50  -8.050  -2.636  -5.144
  374    HA   GLU  50           HA       GLU  50  -8.228  -1.245  -7.683
  375    HB2  GLU  50           2HB      GLU  50  -6.107  -1.319  -5.543
  376    HB3  GLU  50           1HB      GLU  50  -5.940  -0.400  -7.034
  377    HG2  GLU  50           2HG      GLU  50  -8.200  -0.038  -5.093
  378    HG3  GLU  50           1HG      GLU  50  -6.709   0.898  -5.060
  379    H    GLY  51           H        GLY  51  -5.457  -3.019  -6.380
  380    HA2  GLY  51           2HA      GLY  51  -5.155  -5.143  -7.967
  381    HA3  GLY  51           1HA      GLY  51  -4.748  -3.838  -9.074
  382    H    THR  52           H        THR  52  -2.984  -5.887  -8.308
  383    HA   THR  52           HA       THR  52  -1.292  -5.241  -6.174
  384    HB   THR  52           HB       THR  52  -0.108  -6.547  -8.562
  385    HG1  THR  52           1HG      THR  52  -1.496  -8.459  -7.467
  386   HG21  THR  52          3HG2      THR  52   0.661  -8.134  -6.852
  387   HG22  THR  52          1HG2      THR  52  -0.287  -7.278  -5.637
  388   HG23  THR  52          2HG2      THR  52   1.073  -6.474  -6.423
  389    H    GLN  53           H        GLN  53  -1.252  -4.305  -9.576
  390    HA   GLN  53           HA       GLN  53   1.301  -3.087  -9.475
  391    HB2  GLN  53           2HB      GLN  53   0.745  -2.133 -11.656
  392    HB3  GLN  53           1HB      GLN  53   0.383  -3.845 -11.577
  393    HG2  GLN  53           2HG      GLN  53  -1.943  -3.399 -11.293
  394    HG3  GLN  53           1HG      GLN  53  -1.603  -1.679 -11.223
  395   HE21  GLN  53          1HE2      GLN  53  -3.274  -3.263 -13.070
  396   HE22  GLN  53          2HE2      GLN  53  -2.687  -2.894 -14.655
  397    H    LYS  54           H        LYS  54  -1.946  -1.892  -8.864
  398    HA   LYS  54           HA       LYS  54  -1.168   0.863  -8.728
  399    HB2  LYS  54           2HB      LYS  54  -3.574  -0.439  -7.603
  400    HB3  LYS  54           1HB      LYS  54  -3.367   1.259  -7.912
  401    HG2  LYS  54           2HG      LYS  54  -3.007   0.628 -10.307
  402    HG3  LYS  54           1HG      LYS  54  -3.614  -0.944  -9.853
  403    HD2  LYS  54           2HD      LYS  54  -5.664   0.180  -8.977
  404    HD3  LYS  54           1HD      LYS  54  -5.045   1.675  -9.683
  405    HE2  LYS  54           2HE      LYS  54  -4.954   0.507 -11.886
  406    HE3  LYS  54           1HE      LYS  54  -5.767  -0.862 -11.134
  407    HZ1  LYS  54           3HZ      LYS  54  -7.612   0.685 -10.569
  408    HZ2  LYS  54           1HZ      LYS  54  -7.385   0.468 -12.235
  409    HZ3  LYS  54           2HZ      LYS  54  -6.839   1.887 -11.484
  410    H    ALA  55           H        ALA  55  -1.482  -1.778  -6.480
  411    HA   ALA  55           HA       ALA  55  -0.982  -0.217  -4.117
  412    HB1  ALA  55           1HB      ALA  55  -0.590  -2.391  -3.052
  413    HB2  ALA  55           2HB      ALA  55  -0.590  -3.177  -4.630
  414    HB3  ALA  55           3HB      ALA  55  -2.063  -2.419  -4.024
  415    H    LYS  56           H        LYS  56   1.026  -1.959  -6.458
  416    HA   LYS  56           HA       LYS  56   3.496  -1.483  -5.217
  417    HB2  LYS  56           2HB      LYS  56   3.087  -3.113  -7.044
  418    HB3  LYS  56           1HB      LYS  56   2.795  -1.780  -8.149
  419    HG2  LYS  56           2HG      LYS  56   5.017  -1.025  -7.912
  420    HG3  LYS  56           1HG      LYS  56   5.369  -2.209  -6.668
  421    HD2  LYS  56           2HD      LYS  56   5.036  -4.012  -8.295
  422    HD3  LYS  56           1HD      LYS  56   4.688  -2.823  -9.538
  423    HE2  LYS  56           2HE      LYS  56   6.968  -1.860  -9.142
  424    HE3  LYS  56           1HE      LYS  56   7.291  -3.244  -8.099
  425    HZ1  LYS  56           3HZ      LYS  56   8.141  -3.681 -10.280
  426    HZ2  LYS  56           1HZ      LYS  56   6.647  -3.324 -10.999
  427    HZ3  LYS  56           2HZ      LYS  56   6.809  -4.694 -10.019
  428    H    LYS  57           H        LYS  57   1.824   0.155  -7.889
  429    HA   LYS  57           HA       LYS  57   3.215   2.466  -8.127
  430    HB2  LYS  57           2HB      LYS  57   0.628   1.412  -8.709
  431    HB3  LYS  57           1HB      LYS  57   0.428   3.033  -8.163
  432    HG2  LYS  57           2HG      LYS  57   0.662   3.233 -10.464
  433    HG3  LYS  57           1HG      LYS  57   2.265   3.624  -9.830
  434    HD2  LYS  57           2HD      LYS  57   2.731   1.174 -10.019
  435    HD3  LYS  57           1HD      LYS  57   1.307   1.068 -11.037
  436    HE2  LYS  57           2HE      LYS  57   2.239   2.706 -12.556
  437    HE3  LYS  57           1HE      LYS  57   3.656   2.861 -11.525
  438    HZ1  LYS  57           3HZ      LYS  57   4.186   0.543 -11.962
  439    HZ2  LYS  57           1HZ      LYS  57   4.102   1.424 -13.407
  440    HZ3  LYS  57           2HZ      LYS  57   2.827   0.398 -12.964
  441    H    LEU  58           H        LEU  58   0.753   1.708  -5.667
  442    HA   LEU  58           HA       LEU  58   0.795   4.212  -4.362
  443    HB2  LEU  58           2HB      LEU  58  -0.981   2.433  -4.149
  444    HB3  LEU  58           1HB      LEU  58   0.142   1.508  -3.190
  445    HG   LEU  58           HG       LEU  58  -0.169   2.771  -1.347
  446   HD11  LEU  58          1HD1      LEU  58  -0.943   5.118  -3.085
  447   HD12  LEU  58          2HD1      LEU  58   0.619   4.891  -2.296
  448   HD13  LEU  58          3HD1      LEU  58  -0.833   5.138  -1.324
  449   HD21  LEU  58          3HD2      LEU  58  -2.711   3.419  -2.818
  450   HD22  LEU  58          1HD2      LEU  58  -2.494   3.295  -1.071
  451   HD23  LEU  58          2HD2      LEU  58  -2.345   1.856  -2.082
  452    H    PHE  59           H        PHE  59   2.458   1.149  -3.677
  453    HA   PHE  59           HA       PHE  59   4.143   1.863  -1.623
  454    HB2  PHE  59           2HB      PHE  59   4.145  -0.386  -2.459
  455    HB3  PHE  59           1HB      PHE  59   4.629   0.143  -4.062
  456    HD1  PHE  59           2HD      PHE  59   5.845   0.088  -0.548
  457    HD2  PHE  59           1HD      PHE  59   6.853  -0.016  -4.684
  458    HE1  PHE  59           2HE      PHE  59   8.194  -0.334   0.031
  459    HE2  PHE  59           1HE      PHE  59   9.201  -0.416  -4.105
  460    HZ   PHE  59           HZ       PHE  59   9.877  -0.581  -1.745
  461    H    LEU  60           H        LEU  60   4.786   2.230  -5.096
  462    HA   LEU  60           HA       LEU  60   7.220   3.516  -5.041
  463    HB2  LEU  60           2HB      LEU  60   4.911   3.528  -6.907
  464    HB3  LEU  60           1HB      LEU  60   6.136   4.745  -7.140
  465    HG   LEU  60           HG       LEU  60   6.409   2.836  -8.554
  466   HD11  LEU  60          1HD1      LEU  60   8.363   4.154  -7.803
  467   HD12  LEU  60          2HD1      LEU  60   8.776   2.480  -8.180
  468   HD13  LEU  60          3HD1      LEU  60   8.603   2.988  -6.500
  469   HD21  LEU  60          3HD2      LEU  60   5.515   1.075  -7.183
  470   HD22  LEU  60          1HD2      LEU  60   6.847   1.258  -6.042
  471   HD23  LEU  60          2HD2      LEU  60   7.161   0.679  -7.678
  472    H    GLN  61           H        GLN  61   4.033   5.056  -5.102
  473    HA   GLN  61           HA       GLN  61   4.729   7.709  -4.892
  474    HB2  GLN  61           2HB      GLN  61   2.470   6.285  -3.528
  475    HB3  GLN  61           1HB      GLN  61   2.584   8.020  -3.750
  476    HG2  GLN  61           2HG      GLN  61   2.548   6.066  -6.013
  477    HG3  GLN  61           1HG      GLN  61   1.135   6.825  -5.327
  478   HE21  GLN  61          1HE2      GLN  61   0.540   7.844  -7.097
  479   HE22  GLN  61          2HE2      GLN  61   1.384   9.206  -7.701
  480    H    HIS  62           H        HIS  62   3.720   5.728  -2.157
  481    HA   HIS  62           HA       HIS  62   4.545   7.446  -0.122
  482    HB2  HIS  62           2HB      HIS  62   3.190   5.364   0.221
  483    HB3  HIS  62           1HB      HIS  62   4.660   4.416   0.003
  484    HD1  HIS  62           1HD      HIS  62   5.905   3.905   2.086
  485    HD2  HIS  62           2HD      HIS  62   3.468   7.241   2.513
  486    HE1  HIS  62           1HE      HIS  62   6.125   4.592   4.483
  487    HE2  HIS  62           2HE      HIS  62   4.807   6.738   4.666
  488    H    ILE  63           H        ILE  63   6.472   5.039  -1.880
  489    HA   ILE  63           HA       ILE  63   8.833   5.230  -0.451
  490    HB   ILE  63           HB       ILE  63   8.392   4.857  -3.388
  491   HG12  ILE  63          2HG1      ILE  63   7.623   3.057  -1.990
  492   HG13  ILE  63          1HG1      ILE  63   9.097   2.567  -2.785
  493   HG21  ILE  63          1HG2      ILE  63  10.764   4.121  -3.497
  494   HG22  ILE  63          2HG2      ILE  63  11.001   4.749  -1.863
  495   HG23  ILE  63          3HG2      ILE  63  10.587   5.847  -3.182
  496   HD11  ILE  63          3HD1      ILE  63   8.905   3.512   0.040
  497   HD12  ILE  63          1HD1      ILE  63  10.370   2.968  -0.780
  498   HD13  ILE  63          2HD1      ILE  63   9.050   1.834  -0.485
  499    H    HIS  64           H        HIS  64   7.584   7.255  -3.035
  500    HA   HIS  64           HA       HIS  64   9.772   9.038  -3.294
  501    HB2  HIS  64           2HB      HIS  64   8.170   8.987  -5.037
  502    HB3  HIS  64           1HB      HIS  64   6.843   9.133  -3.933
  503    HD1  HIS  64           1HD      HIS  64   7.201  11.449  -2.535
  504    HD2  HIS  64           2HD      HIS  64   8.339  11.276  -6.485
  505    HE1  HIS  64           1HE      HIS  64   7.272  13.862  -3.313
  506    HE2  HIS  64           2HE      HIS  64   7.583  13.667  -5.826
  507    H    ARG  65           H        ARG  65   6.766   9.242  -1.545
  508    HA   ARG  65           HA       ARG  65   7.023  11.662  -0.327
  509    HB2  ARG  65           2HB      ARG  65   5.833   9.204   0.766
  510    HB3  ARG  65           1HB      ARG  65   5.395  10.827   1.167
  511    HG2  ARG  65           2HG      ARG  65   4.945   9.395  -1.403
  512    HG3  ARG  65           1HG      ARG  65   3.791  10.085  -0.307
  513    HD2  ARG  65           2HD      ARG  65   5.009  12.305  -0.830
  514    HD3  ARG  65           1HD      ARG  65   5.518  11.443  -2.270
  515    HE   ARG  65           HE       ARG  65   2.826  11.016  -2.173
  516   HH11  ARG  65          1HH1      ARG  65   4.810  13.931  -2.224
  517   HH12  ARG  65          2HH1      ARG  65   3.587  14.878  -3.013
  518   HH21  ARG  65          1HH2      ARG  65   1.247  12.277  -3.184
  519   HH22  ARG  65          2HH2      ARG  65   1.558  13.951  -3.543
  520    H    LEU  66           H        LEU  66   7.984   8.529   0.941
  521    HA   LEU  66           HA       LEU  66   9.208   9.178   3.309
  522    HB2  LEU  66           2HB      LEU  66  10.111   7.221   1.212
  523    HB3  LEU  66           1HB      LEU  66  10.690   7.225   2.867
  524    HG   LEU  66           HG       LEU  66   7.814   6.941   2.100
  525   HD11  LEU  66          1HD1      LEU  66   9.040   5.047   1.227
  526   HD12  LEU  66          2HD1      LEU  66   8.074   4.555   2.620
  527   HD13  LEU  66          3HD1      LEU  66   9.812   4.800   2.793
  528   HD21  LEU  66          3HD2      LEU  66   7.546   6.172   4.404
  529   HD22  LEU  66          1HD2      LEU  66   8.225   7.800   4.351
  530   HD23  LEU  66          2HD2      LEU  66   9.270   6.420   4.686
  531    H    LYS  67           H        LYS  67  10.668   9.152   0.163
  532    HA   LYS  67           HA       LYS  67  13.237  10.080   0.968
  533    HB2  LYS  67           2HB      LYS  67  12.213  10.646  -1.764
  534    HB3  LYS  67           1HB      LYS  67  13.797  10.099  -1.286
  535    HG2  LYS  67           2HG      LYS  67  12.721   7.949  -0.735
  536    HG3  LYS  67           1HG      LYS  67  11.262   8.534  -1.461
  537    HD2  LYS  67           2HD      LYS  67  13.774   8.661  -3.021
  538    HD3  LYS  67           1HD      LYS  67  12.960   7.105  -2.795
  539    HE2  LYS  67           2HE      LYS  67  10.999   7.844  -3.829
  540    HE3  LYS  67           1HE      LYS  67  11.449   9.537  -3.671
  541    HZ1  LYS  67           3HZ      LYS  67  11.710   8.918  -5.934
  542    HZ2  LYS  67           1HZ      LYS  67  12.571   7.512  -5.532
  543    HZ3  LYS  67           2HZ      LYS  67  13.280   9.036  -5.299
  544    H    HIS  68           H        HIS  68  10.409  11.676  -0.366
  545    HA   HIS  68           HA       HIS  68  10.893  14.162   0.780
  546    HB2  HIS  68           2HB      HIS  68  11.297  15.390  -1.356
  547    HB3  HIS  68           1HB      HIS  68  12.650  14.464  -0.764
  548    HD1  HIS  68           1HD      HIS  68  10.347  12.218  -2.264
  549    HD2  HIS  68           2HD      HIS  68  13.269  14.801  -3.690
  550    HE1  HIS  68           1HE      HIS  68  10.902  11.401  -4.593
  551    HE2  HIS  68           2HE      HIS  68  12.492  13.130  -5.510
  552    H    GLU  69           H        GLU  69   8.738  14.040   1.307
  553    HA   GLU  69           HA       GLU  69   6.745  13.221  -0.484
  554    HB2  GLU  69           2HB      GLU  69   6.580  13.485   2.071
  555    HB3  GLU  69           1HB      GLU  69   6.124  15.136   1.707
  556    HG2  GLU  69           2HG      GLU  69   4.435  14.087   0.134
  557    HG3  GLU  69           1HG      GLU  69   4.742  12.596   0.993
  Start of MODEL    3
    1    H    SER   5           H        SER   5 -20.394   2.619  -0.747
    2    HA   SER   5           HA       SER   5 -18.132   1.816  -2.300
    3    HB2  SER   5           2HB      SER   5 -19.421   4.549  -2.097
    4    HB3  SER   5           1HB      SER   5 -18.374   3.974  -3.395
    5    HG   SER   5           HG       SER   5 -20.958   3.811  -3.330
    6    H    GLN   6           H        GLN   6 -18.533   3.332   0.704
    7    HA   GLN   6           HA       GLN   6 -16.316   5.008   0.916
    8    HB2  GLN   6           2HB      GLN   6 -18.152   4.783   2.581
    9    HB3  GLN   6           1HB      GLN   6 -17.477   3.236   3.059
   10    HG2  GLN   6           2HG      GLN   6 -16.834   4.939   4.629
   11    HG3  GLN   6           1HG      GLN   6 -15.415   4.359   3.758
   12   HE21  GLN   6          1HE2      GLN   6 -14.273   6.230   4.208
   13   HE22  GLN   6          2HE2      GLN   6 -14.612   7.736   3.431
   14    H    GLN   7           H        GLN   7 -16.543   1.578   0.825
   15    HA   GLN   7           HA       GLN   7 -14.269   0.765   2.206
   16    HB2  GLN   7           2HB      GLN   7 -16.147  -0.636   1.248
   17    HB3  GLN   7           1HB      GLN   7 -15.305  -0.560  -0.284
   18    HG2  GLN   7           2HG      GLN   7 -14.830  -2.595   0.893
   19    HG3  GLN   7           1HG      GLN   7 -13.400  -1.605   0.741
   20   HE21  GLN   7          1HE2      GLN   7 -12.440  -2.728   2.456
   21   HE22  GLN   7          2HE2      GLN   7 -12.898  -2.418   4.092
   22    H    ILE   8           H        ILE   8 -14.625   1.983  -1.061
   23    HA   ILE   8           HA       ILE   8 -12.102   1.175  -2.039
   24    HB   ILE   8           HB       ILE   8 -13.763   3.510  -2.966
   25   HG12  ILE   8          2HG1      ILE   8 -13.798   0.675  -3.909
   26   HG13  ILE   8          1HG1      ILE   8 -15.039   1.413  -2.915
   27   HG21  ILE   8          1HG2      ILE   8 -11.665   1.906  -4.403
   28   HG22  ILE   8          2HG2      ILE   8 -11.495   3.568  -3.838
   29   HG23  ILE   8          3HG2      ILE   8 -12.648   3.185  -5.117
   30   HD11  ILE   8          3HD1      ILE   8 -15.731   1.298  -5.234
   31   HD12  ILE   8          1HD1      ILE   8 -14.304   2.213  -5.722
   32   HD13  ILE   8          2HD1      ILE   8 -15.542   2.975  -4.724
   33    H    ALA   9           H        ALA   9 -13.095   3.739  -0.018
   34    HA   ALA   9           HA       ALA   9 -10.715   5.327  -0.503
   35    HB1  ALA   9           1HB      ALA   9 -12.857   6.473  -0.222
   36    HB2  ALA   9           2HB      ALA   9 -11.705   6.945   1.026
   37    HB3  ALA   9           3HB      ALA   9 -12.995   5.805   1.405
   38    H    THR  10           H        THR  10 -12.244   3.660   2.179
   39    HA   THR  10           HA       THR  10 -10.189   4.200   4.035
   40    HB   THR  10           HB       THR  10 -11.367   2.437   5.399
   41    HG1  THR  10           1HG      THR  10 -12.620   1.188   4.229
   42   HG21  THR  10          3HG2      THR  10 -13.044   4.697   4.323
   43   HG22  THR  10          1HG2      THR  10 -11.788   4.865   5.552
   44   HG23  THR  10          2HG2      THR  10 -13.230   3.904   5.888
   45    H    ALA  11           H        ALA  11 -10.893   1.393   1.975
   46    HA   ALA  11           HA       ALA  11  -8.948  -0.300   3.118
   47    HB1  ALA  11           1HB      ALA  11  -9.098  -1.607   1.069
   48    HB2  ALA  11           2HB      ALA  11  -9.948  -0.285   0.271
   49    HB3  ALA  11           3HB      ALA  11 -10.703  -1.133   1.620
   50    H    LYS  12           H        LYS  12  -8.809   2.038   0.465
   51    HA   LYS  12           HA       LYS  12  -6.063   1.605  -0.117
   52    HB2  LYS  12           2HB      LYS  12  -7.417   2.663  -1.798
   53    HB3  LYS  12           1HB      LYS  12  -7.877   3.952  -0.691
   54    HG2  LYS  12           2HG      LYS  12  -5.637   4.802  -0.656
   55    HG3  LYS  12           1HG      LYS  12  -5.062   3.440  -1.612
   56    HD2  LYS  12           2HD      LYS  12  -6.422   4.194  -3.499
   57    HD3  LYS  12           1HD      LYS  12  -6.999   5.558  -2.534
   58    HE2  LYS  12           2HE      LYS  12  -4.087   5.034  -3.078
   59    HE3  LYS  12           1HE      LYS  12  -5.077   6.063  -4.104
   60    HZ1  LYS  12           3HZ      LYS  12  -5.506   7.496  -2.220
   61    HZ2  LYS  12           1HZ      LYS  12  -3.836   7.334  -2.459
   62    HZ3  LYS  12           2HZ      LYS  12  -4.597   6.493  -1.194
   63    H    ASP  13           H        ASP  13  -7.801   3.968   1.841
   64    HA   ASP  13           HA       ASP  13  -5.659   5.554   2.655
   65    HB2  ASP  13           2HB      ASP  13  -8.035   6.124   3.019
   66    HB3  ASP  13           1HB      ASP  13  -8.180   4.823   4.192
   67    H    LYS  14           H        LYS  14  -7.032   2.666   4.252
   68    HA   LYS  14           HA       LYS  14  -5.103   2.681   6.300
   69    HB2  LYS  14           2HB      LYS  14  -7.442   1.545   6.214
   70    HB3  LYS  14           1HB      LYS  14  -6.575   0.221   5.438
   71    HG2  LYS  14           2HG      LYS  14  -5.008   0.248   7.340
   72    HG3  LYS  14           1HG      LYS  14  -6.070   1.386   8.154
   73    HD2  LYS  14           2HD      LYS  14  -6.844  -1.379   7.231
   74    HD3  LYS  14           1HD      LYS  14  -6.440  -0.932   8.890
   75    HE2  LYS  14           2HE      LYS  14  -8.333   0.555   8.993
   76    HE3  LYS  14           1HE      LYS  14  -8.695   0.268   7.292
   77    HZ1  LYS  14           3HZ      LYS  14  -9.142  -2.041   7.799
   78    HZ2  LYS  14           1HZ      LYS  14 -10.120  -1.034   8.757
   79    HZ3  LYS  14           2HZ      LYS  14  -8.762  -1.787   9.430
   80    H    TYR  15           H        TYR  15  -5.372   1.075   3.148
   81    HA   TYR  15           HA       TYR  15  -3.150  -0.613   3.340
   82    HB2  TYR  15           2HB      TYR  15  -4.612  -0.770   1.409
   83    HB3  TYR  15           1HB      TYR  15  -4.203   0.876   0.924
   84    HD1  TYR  15           2HD      TYR  15  -2.736  -2.475   1.464
   85    HD2  TYR  15           1HD      TYR  15  -2.357   1.284  -0.501
   86    HE1  TYR  15           2HE      TYR  15  -0.843  -3.352   0.172
   87    HE2  TYR  15           1HE      TYR  15  -0.459   0.412  -1.801
   88    HH   TYR  15           HH       TYR  15   1.220  -1.353  -1.635
   89    H    GLU  16           H        GLU  16  -3.424   2.768   2.449
   90    HA   GLU  16           HA       GLU  16  -0.797   3.296   1.840
   91    HB2  GLU  16           2HB      GLU  16  -3.230   4.741   2.651
   92    HB3  GLU  16           1HB      GLU  16  -1.729   5.621   2.777
   93    HG2  GLU  16           2HG      GLU  16  -1.265   5.062   0.423
   94    HG3  GLU  16           1HG      GLU  16  -2.846   4.294   0.332
   95    H    TRP  17           H        TRP  17  -2.465   3.169   5.014
   96    HA   TRP  17           HA       TRP  17  -0.044   3.826   6.404
   97    HB2  TRP  17           2HB      TRP  17  -1.889   4.116   7.796
   98    HB3  TRP  17           1HB      TRP  17  -2.628   2.629   7.275
   99    HD1  TRP  17           HD       TRP  17   0.571   3.531   9.194
  100    HE1  TRP  17           1HE      TRP  17   0.884   1.803  11.069
  101    HE3  TRP  17           3HE      TRP  17  -3.313   0.661   8.110
  102    HZ2  TRP  17           2HZ      TRP  17  -0.489  -0.491  12.000
  103    HZ3  TRP  17           3HZ      TRP  17  -3.824  -1.321   9.531
  104    HH2  TRP  17           HH       TRP  17  -2.399  -1.861  11.424
  105    H    LEU  18           H        LEU  18  -1.610   0.817   5.372
  106    HA   LEU  18           HA       LEU  18  -0.049  -0.999   6.715
  107    HB2  LEU  18           2HB      LEU  18  -1.406  -1.033   4.043
  108    HB3  LEU  18           1HB      LEU  18  -0.259  -2.311   4.361
  109    HG   LEU  18           HG       LEU  18  -2.749  -2.803   4.807
  110   HD11  LEU  18          1HD1      LEU  18  -0.721  -3.242   7.010
  111   HD12  LEU  18          2HD1      LEU  18  -0.920  -4.240   5.568
  112   HD13  LEU  18          3HD1      LEU  18  -2.208  -4.157   6.770
  113   HD21  LEU  18          3HD2      LEU  18  -2.120  -1.141   7.247
  114   HD22  LEU  18          1HD2      LEU  18  -3.556  -2.137   7.011
  115   HD23  LEU  18          2HD2      LEU  18  -3.274  -0.737   5.976
  116    H    VAL  19           H        VAL  19   0.589   0.516   3.568
  117    HA   VAL  19           HA       VAL  19   3.200  -0.391   3.168
  118    HB   VAL  19           HB       VAL  19   1.971   2.250   2.346
  119   HG11  VAL  19          1HG1      VAL  19   4.399   2.473   2.425
  120   HG12  VAL  19          2HG1      VAL  19   3.831   2.437   0.755
  121   HG13  VAL  19          3HG1      VAL  19   4.578   1.005   1.465
  122   HG21  VAL  19          3HG2      VAL  19   1.743   1.245   0.183
  123   HG22  VAL  19          1HG2      VAL  19   0.988   0.184   1.381
  124   HG23  VAL  19          2HG2      VAL  19   2.584  -0.212   0.728
  125    H    SER  20           H        SER  20   2.126   2.572   4.890
  126    HA   SER  20           HA       SER  20   4.787   3.364   5.502
  127    HB2  SER  20           2HB      SER  20   3.745   4.969   7.050
  128    HB3  SER  20           1HB      SER  20   2.968   4.975   5.473
  129    HG   SER  20           HG       SER  20   1.770   3.192   7.093
  130    H    ARG  21           H        ARG  21   2.714   1.031   6.885
  131    HA   ARG  21           HA       ARG  21   3.952   1.096   9.438
  132    HB2  ARG  21           2HB      ARG  21   2.155  -0.062  10.136
  133    HB3  ARG  21           1HB      ARG  21   1.450   0.455   8.626
  134    HG2  ARG  21           2HG      ARG  21   2.021  -1.544   7.624
  135    HG3  ARG  21           1HG      ARG  21   2.941  -2.074   9.001
  136    HD2  ARG  21           2HD      ARG  21   0.887  -2.043  10.356
  137    HD3  ARG  21           1HD      ARG  21  -0.025  -1.599   8.918
  138    HE   ARG  21           HE       ARG  21   1.116  -3.895   8.148
  139   HH11  ARG  21          1HH1      ARG  21  -0.474  -3.027  11.123
  140   HH12  ARG  21          2HH1      ARG  21  -1.243  -4.571  11.340
  141   HH21  ARG  21          1HH2      ARG  21   0.126  -5.983   8.429
  142   HH22  ARG  21          2HH2      ARG  21  -0.885  -6.256   9.823
  143    H    ILE  22           H        ILE  22   4.390  -0.409   6.455
  144    HA   ILE  22           HA       ILE  22   6.264  -2.363   7.628
  145    HB   ILE  22           HB       ILE  22   5.177  -2.354   4.820
  146   HG12  ILE  22          2HG1      ILE  22   3.415  -2.778   6.488
  147   HG13  ILE  22          1HG1      ILE  22   3.780  -4.204   5.540
  148   HG21  ILE  22          1HG2      ILE  22   6.686  -4.478   6.338
  149   HG22  ILE  22          2HG2      ILE  22   7.385  -3.410   5.125
  150   HG23  ILE  22          3HG2      ILE  22   6.134  -4.567   4.664
  151   HD11  ILE  22          3HD1      ILE  22   4.695  -3.665   8.342
  152   HD12  ILE  22          1HD1      ILE  22   5.112  -5.088   7.385
  153   HD13  ILE  22          2HD1      ILE  22   3.433  -4.793   7.839
  154    H    VAL  23           H        VAL  23   6.001  -0.582   4.569
  155    HA   VAL  23           HA       VAL  23   8.819  -0.233   4.238
  156    HB   VAL  23           HB       VAL  23   6.521   1.183   2.889
  157   HG11  VAL  23          1HG1      VAL  23   8.733   2.200   2.561
  158   HG12  VAL  23          2HG1      VAL  23   8.108   1.502   1.067
  159   HG13  VAL  23          3HG1      VAL  23   9.353   0.654   1.984
  160   HG21  VAL  23          3HG2      VAL  23   6.228  -1.222   2.730
  161   HG22  VAL  23          1HG2      VAL  23   7.879  -1.402   2.138
  162   HG23  VAL  23          2HG2      VAL  23   6.681  -0.547   1.164
  163    H    LYS  24           H        LYS  24   9.901   1.064   5.600
  164    HA   LYS  24           HA       LYS  24   8.640   3.617   6.354
  165    HB2  LYS  24           2HB      LYS  24   9.148   1.797   8.111
  166    HB3  LYS  24           1HB      LYS  24  10.807   2.301   7.939
  167    HG2  LYS  24           2HG      LYS  24   9.987   3.483   9.743
  168    HG3  LYS  24           1HG      LYS  24  10.025   4.636   8.405
  169    HD2  LYS  24           2HD      LYS  24   7.724   4.509   8.081
  170    HD3  LYS  24           1HD      LYS  24   7.602   3.013   9.009
  171    HE2  LYS  24           2HE      LYS  24   8.279   4.281  11.015
  172    HE3  LYS  24           1HE      LYS  24   8.209   5.762  10.061
  173    HZ1  LYS  24           3HZ      LYS  24   6.165   5.538  11.244
  174    HZ2  LYS  24           1HZ      LYS  24   5.940   3.947  10.698
  175    HZ3  LYS  24           2HZ      LYS  24   5.839   5.241   9.608
  176    H    ASN  25           H        ASN  25  11.833   2.128   5.836
  177    HA   ASN  25           HA       ASN  25  13.014   4.756   5.462
  178    HB2  ASN  25           2HB      ASN  25  15.159   3.541   5.295
  179    HB3  ASN  25           1HB      ASN  25  14.279   3.148   6.766
  180   HD21  ASN  25          1HD2      ASN  25  15.404   1.221   7.007
  181   HD22  ASN  25          2HD2      ASN  25  15.102  -0.157   6.003
  182    H    HIS  26           H        HIS  26  11.237   3.013   3.522
  183    HA   HIS  26           HA       HIS  26  10.828   2.905   1.325
  184    HB2  HIS  26           2HB      HIS  26  11.437   4.649  -0.090
  185    HB3  HIS  26           1HB      HIS  26  11.424   5.382   1.469
  186    HD1  HIS  26           1HD      HIS  26  13.183   6.993   1.653
  187    HD2  HIS  26           2HD      HIS  26  14.369   3.805  -0.710
  188    HE1  HIS  26           1HE      HIS  26  15.566   7.470   1.018
  189    HE2  HIS  26           2HE      HIS  26  16.251   5.566  -0.465
  190    H    ASN  27           H        ASN  27  13.824   2.017   2.495
  191    HA   ASN  27           HA       ASN  27  14.967   1.285  -0.069
  192    HB2  ASN  27           2HB      ASN  27  15.894   1.372   2.742
  193    HB3  ASN  27           1HB      ASN  27  16.673   0.212   1.689
  194   HD21  ASN  27          1HD2      ASN  27  16.125   3.585   2.285
  195   HD22  ASN  27          2HD2      ASN  27  17.392   4.115   1.249
  196    H    GLU  28           H        GLU  28  12.509   0.153   0.653
  197    HA   GLU  28           HA       GLU  28  13.004  -2.649   1.229
  198    HB2  GLU  28           2HB      GLU  28  10.445  -1.162   0.614
  199    HB3  GLU  28           1HB      GLU  28  10.549  -2.841   1.117
  200    HG2  GLU  28           2HG      GLU  28  11.351  -0.445   2.747
  201    HG3  GLU  28           1HG      GLU  28   9.893  -1.412   2.951
  202    H    ASN  29           H        ASN  29  11.524  -4.109  -0.207
  203    HA   ASN  29           HA       ASN  29  11.727  -3.341  -3.047
  204    HB2  ASN  29           2HB      ASN  29  12.301  -6.052  -1.816
  205    HB3  ASN  29           1HB      ASN  29  12.124  -5.774  -3.544
  206   HD21  ASN  29          1HD2      ASN  29  14.146  -5.362  -0.762
  207   HD22  ASN  29          2HD2      ASN  29  15.559  -4.846  -1.617
  208    H    TRP  30           H        TRP  30   9.730  -3.183  -3.837
  209    HA   TRP  30           HA       TRP  30   7.402  -3.401  -2.489
  210    HB2  TRP  30           2HB      TRP  30   7.241  -2.355  -4.535
  211    HB3  TRP  30           1HB      TRP  30   7.975  -3.678  -5.399
  212    HD1  TRP  30           HD       TRP  30   6.375  -4.924  -6.758
  213    HE1  TRP  30           1HE      TRP  30   3.849  -5.470  -6.710
  214    HE3  TRP  30           3HE      TRP  30   5.224  -2.660  -2.379
  215    HZ2  TRP  30           2HZ      TRP  30   1.653  -4.972  -4.988
  216    HZ3  TRP  30           3HZ      TRP  30   2.915  -2.714  -1.592
  217    HH2  TRP  30           HH       TRP  30   1.157  -3.857  -2.856
  218    H    LEU  31           H        LEU  31   8.654  -6.057  -4.485
  219    HA   LEU  31           HA       LEU  31   6.454  -7.730  -4.125
  220    HB2  LEU  31           2HB      LEU  31   9.333  -8.299  -4.750
  221    HB3  LEU  31           1HB      LEU  31   8.059  -9.497  -4.824
  222    HG   LEU  31           HG       LEU  31   8.440  -8.726  -7.001
  223   HD11  LEU  31          1HD1      LEU  31   5.951  -7.443  -5.970
  224   HD12  LEU  31          2HD1      LEU  31   6.127  -9.120  -6.485
  225   HD13  LEU  31          3HD1      LEU  31   6.279  -7.818  -7.662
  226   HD21  LEU  31          3HD2      LEU  31   7.940  -5.901  -6.192
  227   HD22  LEU  31          1HD2      LEU  31   8.426  -6.490  -7.779
  228   HD23  LEU  31          2HD2      LEU  31   9.549  -6.589  -6.422
  229    H    SER  32           H        SER  32   9.607  -7.723  -2.530
  230    HA   SER  32           HA       SER  32   9.098  -9.646  -0.601
  231    HB2  SER  32           2HB      SER  32  10.836  -7.310  -0.036
  232    HB3  SER  32           1HB      SER  32  11.096  -8.995   0.368
  233    HG   SER  32           HG       SER  32  12.424  -8.488  -1.376
  234    H    VAL  33           H        VAL  33   8.472  -6.108  -0.423
  235    HA   VAL  33           HA       VAL  33   7.530  -6.288   2.255
  236    HB   VAL  33           HB       VAL  33   6.287  -4.027   1.394
  237   HG11  VAL  33          1HG1      VAL  33   8.117  -2.858   2.381
  238   HG12  VAL  33          2HG1      VAL  33   9.231  -4.172   2.008
  239   HG13  VAL  33          3HG1      VAL  33   7.979  -4.399   3.226
  240   HG21  VAL  33          3HG2      VAL  33   7.638  -2.860  -0.157
  241   HG22  VAL  33          1HG2      VAL  33   7.098  -4.368  -0.889
  242   HG23  VAL  33          2HG2      VAL  33   8.749  -4.225  -0.283
  243    H    SER  34           H        SER  34   6.133  -6.956  -0.805
  244    HA   SER  34           HA       SER  34   3.409  -7.016   0.126
  245    HB2  SER  34           2HB      SER  34   4.704  -8.332  -2.286
  246    HB3  SER  34           1HB      SER  34   2.972  -8.151  -2.021
  247    HG   SER  34           HG       SER  34   4.874  -6.063  -2.331
  248    H    ARG  35           H        ARG  35   6.068  -9.355  -0.183
  249    HA   ARG  35           HA       ARG  35   4.896 -11.724   0.538
  250    HB2  ARG  35           2HB      ARG  35   7.468 -10.612   1.611
  251    HB3  ARG  35           1HB      ARG  35   7.045 -12.265   1.360
  252    HG2  ARG  35           2HG      ARG  35   7.384 -10.297  -0.764
  253    HG3  ARG  35           1HG      ARG  35   8.553 -11.489  -0.278
  254    HD2  ARG  35           2HD      ARG  35   6.807 -13.205  -0.765
  255    HD3  ARG  35           1HD      ARG  35   5.879 -11.928  -1.539
  256    HE   ARG  35           HE       ARG  35   8.543 -12.019  -2.533
  257   HH11  ARG  35          1HH1      ARG  35   5.425 -13.617  -2.804
  258   HH12  ARG  35          2HH1      ARG  35   5.731 -14.187  -4.416
  259   HH21  ARG  35          1HH2      ARG  35   8.937 -12.784  -4.635
  260   HH22  ARG  35          2HH2      ARG  35   7.724 -13.724  -5.457
  261    H    LYS  36           H        LYS  36   6.398  -9.334   2.498
  262    HA   LYS  36           HA       LYS  36   5.612  -9.982   5.057
  263    HB2  LYS  36           2HB      LYS  36   5.950  -7.280   3.856
  264    HB3  LYS  36           1HB      LYS  36   5.984  -7.638   5.553
  265    HG2  LYS  36           2HG      LYS  36   7.867  -8.684   3.488
  266    HG3  LYS  36           1HG      LYS  36   8.154  -7.419   4.665
  267    HD2  LYS  36           2HD      LYS  36   7.615  -9.007   6.440
  268    HD3  LYS  36           1HD      LYS  36   7.566 -10.286   5.233
  269    HE2  LYS  36           2HE      LYS  36   9.922  -9.631   4.611
  270    HE3  LYS  36           1HE      LYS  36   9.937  -8.622   6.057
  271    HZ1  LYS  36           3HZ      LYS  36  10.930 -10.774   6.479
  272    HZ2  LYS  36           1HZ      LYS  36   9.510 -11.559   5.995
  273    HZ3  LYS  36           2HZ      LYS  36   9.513 -10.600   7.392
  274    H    MET  37           H        MET  37   4.182  -7.450   3.096
  275    HA   MET  37           HA       MET  37   2.018  -6.899   4.752
  276    HB2  MET  37           2HB      MET  37   2.737  -6.246   1.947
  277    HB3  MET  37           1HB      MET  37   1.101  -5.898   2.463
  278    HG2  MET  37           2HG      MET  37   2.144  -4.649   4.424
  279    HG3  MET  37           1HG      MET  37   3.674  -4.825   3.570
  280    HE1  MET  37           3HE      MET  37   2.799  -4.524   0.527
  281    HE2  MET  37           1HE      MET  37   4.199  -3.677   1.185
  282    HE3  MET  37           2HE      MET  37   2.983  -2.790   0.264
  283    H    GLN  38           H        GLN  38   2.232  -9.462   2.365
  284    HA   GLN  38           HA       GLN  38  -0.501  -9.663   1.757
  285    HB2  GLN  38           2HB      GLN  38  -0.047 -11.869   0.950
  286    HB3  GLN  38           1HB      GLN  38   1.257 -10.805   0.471
  287    HG2  GLN  38           2HG      GLN  38   2.484 -12.565   1.149
  288    HG3  GLN  38           1HG      GLN  38   2.321 -11.760   2.702
  289   HE21  GLN  38          1HE2      GLN  38   2.585 -13.640   3.857
  290   HE22  GLN  38          2HE2      GLN  38   1.379 -14.885   3.917
  291    H    ALA  39           H        ALA  39   1.287 -10.665   4.509
  292    HA   ALA  39           HA       ALA  39  -0.693 -12.413   5.592
  293    HB1  ALA  39           1HB      ALA  39   0.628 -12.354   7.614
  294    HB2  ALA  39           2HB      ALA  39   1.522 -10.954   7.024
  295    HB3  ALA  39           3HB      ALA  39   1.692 -12.512   6.214
  296    H    SER  40           H        SER  40  -0.973  -9.280   4.925
  297    HA   SER  40           HA       SER  40  -2.621  -8.711   7.282
  298    HB2  SER  40           2HB      SER  40  -1.435  -6.618   5.465
  299    HB3  SER  40           1HB      SER  40  -2.124  -6.408   7.071
  300    HG   SER  40           HG       SER  40   0.002  -8.162   6.926
  301    HA   PRO  41           HA       PRO  41  -6.059  -9.077   4.531
  302    HB2  PRO  41           2HB      PRO  41  -7.704  -7.590   6.225
  303    HB3  PRO  41           1HB      PRO  41  -7.511  -9.329   6.236
  304    HG2  PRO  41           2HG      PRO  41  -6.349  -7.324   7.993
  305    HG3  PRO  41           1HG      PRO  41  -6.732  -9.004   8.316
  306    HD2  PRO  41           2HD      PRO  41  -4.194  -8.106   7.979
  307    HD3  PRO  41           1HD      PRO  41  -4.698  -9.753   7.556
  308    H    GLU  42           H        GLU  42  -5.157  -6.051   6.038
  309    HA   GLU  42           HA       GLU  42  -6.762  -4.442   4.415
  310    HB2  GLU  42           2HB      GLU  42  -4.206  -3.561   5.705
  311    HB3  GLU  42           1HB      GLU  42  -5.596  -2.565   5.295
  312    HG2  GLU  42           2HG      GLU  42  -5.381  -4.631   7.461
  313    HG3  GLU  42           1HG      GLU  42  -5.634  -2.897   7.636
  314    H    TYR  43           H        TYR  43  -3.450  -5.487   4.086
  315    HA   TYR  43           HA       TYR  43  -2.747  -4.144   1.756
  316    HB2  TYR  43           2HB      TYR  43  -0.972  -5.260   2.720
  317    HB3  TYR  43           1HB      TYR  43  -1.923  -6.701   3.052
  318    HD1  TYR  43           1HD      TYR  43   0.063  -4.917   0.527
  319    HD2  TYR  43           2HD      TYR  43  -2.159  -8.462   1.385
  320    HE1  TYR  43           1HE      TYR  43   1.060  -6.019  -1.437
  321    HE2  TYR  43           2HE      TYR  43  -1.152  -9.565  -0.564
  322    HH   TYR  43           HH       TYR  43  -0.120  -8.891  -2.737
  323    H    GLN  44           H        GLN  44  -4.167  -7.375   2.118
  324    HA   GLN  44           HA       GLN  44  -4.256  -7.700  -0.733
  325    HB2  GLN  44           2HB      GLN  44  -5.338  -9.894  -0.165
  326    HB3  GLN  44           1HB      GLN  44  -3.744  -9.613   0.501
  327    HG2  GLN  44           2HG      GLN  44  -4.803  -8.978   2.650
  328    HG3  GLN  44           1HG      GLN  44  -6.341  -9.465   1.962
  329   HE21  GLN  44          1HE2      GLN  44  -3.429 -11.107   1.152
  330   HE22  GLN  44          2HE2      GLN  44  -3.747 -12.552   2.029
  331    H    ASP  45           H        ASP  45  -6.470  -6.647   1.669
  332    HA   ASP  45           HA       ASP  45  -8.832  -6.945   0.151
  333    HB2  ASP  45           2HB      ASP  45  -8.068  -5.312   2.505
  334    HB3  ASP  45           1HB      ASP  45  -9.469  -4.778   1.584
  335    H    TYR  46           H        TYR  46  -6.521  -4.289   0.403
  336    HA   TYR  46           HA       TYR  46  -7.834  -2.648  -1.507
  337    HB2  TYR  46           2HB      TYR  46  -6.246  -1.625  -0.008
  338    HB3  TYR  46           1HB      TYR  46  -4.957  -2.668  -0.604
  339    HD1  TYR  46           1HD      TYR  46  -7.291   0.032  -1.637
  340    HD2  TYR  46           2HD      TYR  46  -3.651  -2.016  -2.443
  341    HE1  TYR  46           1HE      TYR  46  -6.736   1.704  -3.348
  342    HE2  TYR  46           2HE      TYR  46  -3.085  -0.349  -4.158
  343    HH   TYR  46           HH       TYR  46  -4.255   1.262  -5.611
  344    H    VAL  47           H        VAL  47  -5.417  -5.143  -1.786
  345    HA   VAL  47           HA       VAL  47  -4.973  -4.615  -4.531
  346    HB   VAL  47           HB       VAL  47  -4.311  -7.040  -2.864
  347   HG11  VAL  47          1HG1      VAL  47  -3.444  -6.392  -5.674
  348   HG12  VAL  47          2HG1      VAL  47  -4.453  -7.746  -5.165
  349   HG13  VAL  47          3HG1      VAL  47  -2.759  -7.675  -4.675
  350   HG21  VAL  47          3HG2      VAL  47  -3.161  -4.999  -2.194
  351   HG22  VAL  47          1HG2      VAL  47  -2.579  -4.778  -3.845
  352   HG23  VAL  47          2HG2      VAL  47  -2.036  -6.162  -2.896
  353    H    TYR  48           H        TYR  48  -7.295  -6.411  -2.759
  354    HA   TYR  48           HA       TYR  48  -8.223  -8.113  -4.822
  355    HB2  TYR  48           2HB      TYR  48  -8.718  -8.713  -2.620
  356    HB3  TYR  48           1HB      TYR  48  -9.225  -7.097  -2.188
  357    HD1  TYR  48           2HD      TYR  48 -10.214 -10.165  -3.948
  358    HD2  TYR  48           1HD      TYR  48 -11.399  -6.383  -2.459
  359    HE1  TYR  48           2HE      TYR  48 -12.576 -10.818  -4.244
  360    HE2  TYR  48           1HE      TYR  48 -13.781  -7.007  -2.729
  361    HH   TYR  48           HH       TYR  48 -14.773 -10.210  -3.280
  362    H    LEU  49           H        LEU  49  -9.357  -5.062  -3.450
  363    HA   LEU  49           HA       LEU  49 -11.436  -4.590  -5.303
  364    HB2  LEU  49           2HB      LEU  49  -9.828  -2.473  -3.912
  365    HB3  LEU  49           1HB      LEU  49 -11.477  -2.343  -4.488
  366    HG   LEU  49           HG       LEU  49 -10.538  -4.079  -2.230
  367   HD11  LEU  49          1HD1      LEU  49 -12.010  -1.447  -2.224
  368   HD12  LEU  49          2HD1      LEU  49 -10.359  -1.726  -1.670
  369   HD13  LEU  49          3HD1      LEU  49 -11.714  -2.449  -0.802
  370   HD21  LEU  49          3HD2      LEU  49 -13.340  -3.399  -3.116
  371   HD22  LEU  49          1HD2      LEU  49 -12.891  -4.414  -1.748
  372   HD23  LEU  49          2HD2      LEU  49 -12.533  -4.943  -3.392
  373    H    GLU  50           H        GLU  50  -8.315  -2.946  -5.029
  374    HA   GLU  50           HA       GLU  50  -8.621  -1.903  -7.721
  375    HB2  GLU  50           2HB      GLU  50  -6.524  -1.458  -5.604
  376    HB3  GLU  50           1HB      GLU  50  -6.444  -0.735  -7.205
  377    HG2  GLU  50           2HG      GLU  50  -8.667  -0.344  -5.220
  378    HG3  GLU  50           1HG      GLU  50  -7.364   0.796  -5.540
  379    H    GLY  51           H        GLY  51  -5.755  -3.354  -6.168
  380    HA2  GLY  51           2HA      GLY  51  -5.269  -5.582  -7.500
  381    HA3  GLY  51           1HA      GLY  51  -4.993  -4.415  -8.784
  382    H    THR  52           H        THR  52  -3.002  -6.104  -8.056
  383    HA   THR  52           HA       THR  52  -1.301  -5.143  -6.018
  384    HB   THR  52           HB       THR  52  -0.062  -6.608  -8.263
  385    HG1  THR  52           1HG      THR  52  -1.378  -8.305  -8.201
  386   HG21  THR  52          3HG2      THR  52   1.053  -6.300  -6.101
  387   HG22  THR  52          1HG2      THR  52   0.749  -8.008  -6.419
  388   HG23  THR  52          2HG2      THR  52  -0.280  -7.124  -5.294
  389    H    GLN  53           H        GLN  53  -1.597  -4.375  -9.445
  390    HA   GLN  53           HA       GLN  53   0.970  -3.211  -9.727
  391    HB2  GLN  53           2HB      GLN  53  -1.529  -2.677 -11.343
  392    HB3  GLN  53           1HB      GLN  53   0.114  -2.326 -11.818
  393    HG2  GLN  53           2HG      GLN  53   0.595  -4.764 -11.698
  394    HG3  GLN  53           1HG      GLN  53  -1.129  -5.000 -11.460
  395   HE21  GLN  53          1HE2      GLN  53  -1.779  -2.737 -13.247
  396   HE22  GLN  53          2HE2      GLN  53  -1.528  -3.338 -14.855
  397    H    LYS  54           H        LYS  54  -2.245  -1.886  -9.107
  398    HA   LYS  54           HA       LYS  54  -1.474   0.812  -8.947
  399    HB2  LYS  54           2HB      LYS  54  -3.756  -0.571  -7.703
  400    HB3  LYS  54           1HB      LYS  54  -3.585   1.154  -7.823
  401    HG2  LYS  54           2HG      LYS  54  -3.378   0.792 -10.301
  402    HG3  LYS  54           1HG      LYS  54  -3.985  -0.818  -9.978
  403    HD2  LYS  54           2HD      LYS  54  -5.761   0.560  -8.601
  404    HD3  LYS  54           1HD      LYS  54  -5.352   1.787  -9.794
  405    HE2  LYS  54           2HE      LYS  54  -5.865   0.215 -11.594
  406    HE3  LYS  54           1HE      LYS  54  -6.289  -1.014 -10.404
  407    HZ1  LYS  54           3HZ      LYS  54  -8.285  -0.012 -11.172
  408    HZ2  LYS  54           1HZ      LYS  54  -7.689   1.553 -10.911
  409    HZ3  LYS  54           2HZ      LYS  54  -8.033   0.548  -9.591
  410    H    ALA  55           H        ALA  55  -1.758  -1.731  -6.585
  411    HA   ALA  55           HA       ALA  55  -1.116  -0.241  -4.265
  412    HB1  ALA  55           1HB      ALA  55  -0.584  -3.160  -4.871
  413    HB2  ALA  55           2HB      ALA  55  -2.085  -2.503  -4.216
  414    HB3  ALA  55           3HB      ALA  55  -0.595  -2.415  -3.275
  415    H    LYS  56           H        LYS  56   0.952  -1.949  -6.647
  416    HA   LYS  56           HA       LYS  56   3.384  -1.459  -5.412
  417    HB2  LYS  56           2HB      LYS  56   2.957  -2.939  -7.398
  418    HB3  LYS  56           1HB      LYS  56   2.894  -1.497  -8.396
  419    HG2  LYS  56           2HG      LYS  56   5.154  -0.942  -7.812
  420    HG3  LYS  56           1HG      LYS  56   5.198  -2.311  -6.701
  421    HD2  LYS  56           2HD      LYS  56   4.803  -3.821  -8.608
  422    HD3  LYS  56           1HD      LYS  56   4.890  -2.449  -9.685
  423    HE2  LYS  56           2HE      LYS  56   7.184  -1.996  -8.890
  424    HE3  LYS  56           1HE      LYS  56   7.096  -3.462  -7.913
  425    HZ1  LYS  56           3HZ      LYS  56   6.892  -3.328 -10.877
  426    HZ2  LYS  56           1HZ      LYS  56   6.777  -4.747  -9.951
  427    HZ3  LYS  56           2HZ      LYS  56   8.232  -3.878  -9.999
  428    H    LYS  57           H        LYS  57   1.761   0.487  -7.969
  429    HA   LYS  57           HA       LYS  57   3.469   2.625  -8.012
  430    HB2  LYS  57           2HB      LYS  57   0.479   2.487  -8.340
  431    HB3  LYS  57           1HB      LYS  57   1.515   3.738  -8.958
  432    HG2  LYS  57           2HG      LYS  57   2.707   2.160 -10.315
  433    HG3  LYS  57           1HG      LYS  57   1.654   0.885  -9.730
  434    HD2  LYS  57           2HD      LYS  57   0.831   1.561 -11.775
  435    HD3  LYS  57           1HD      LYS  57  -0.265   2.230 -10.584
  436    HE2  LYS  57           2HE      LYS  57   0.584   4.368 -10.839
  437    HE3  LYS  57           1HE      LYS  57   2.064   3.767 -11.580
  438    HZ1  LYS  57           3HZ      LYS  57  -0.626   3.672 -12.844
  439    HZ2  LYS  57           1HZ      LYS  57   0.839   3.223 -13.571
  440    HZ3  LYS  57           2HZ      LYS  57   0.545   4.850 -13.177
  441    H    LEU  58           H        LEU  58   0.803   1.923  -5.807
  442    HA   LEU  58           HA       LEU  58   0.823   4.387  -4.377
  443    HB2  LEU  58           2HB      LEU  58  -1.028   2.663  -4.416
  444    HB3  LEU  58           1HB      LEU  58  -0.019   1.616  -3.460
  445    HG   LEU  58           HG       LEU  58  -0.382   2.793  -1.539
  446   HD11  LEU  58          1HD1      LEU  58   0.325   5.011  -2.318
  447   HD12  LEU  58          2HD1      LEU  58  -1.202   5.121  -1.442
  448   HD13  LEU  58          3HD1      LEU  58  -1.194   5.188  -3.203
  449   HD21  LEU  58          3HD2      LEU  58  -2.863   3.352  -3.145
  450   HD22  LEU  58          1HD2      LEU  58  -2.758   3.239  -1.389
  451   HD23  LEU  58          2HD2      LEU  58  -2.466   1.812  -2.388
  452    H    PHE  59           H        PHE  59   2.380   1.226  -3.808
  453    HA   PHE  59           HA       PHE  59   3.938   1.843  -1.593
  454    HB2  PHE  59           2HB      PHE  59   3.961  -0.403  -2.315
  455    HB3  PHE  59           1HB      PHE  59   4.392   0.026  -3.960
  456    HD1  PHE  59           1HD      PHE  59   5.716   0.093  -0.493
  457    HD2  PHE  59           2HD      PHE  59   6.634  -0.191  -4.652
  458    HE1  PHE  59           1HE      PHE  59   8.073  -0.360   0.047
  459    HE2  PHE  59           2HE      PHE  59   8.986  -0.625  -4.103
  460    HZ   PHE  59           HZ       PHE  59   9.708  -0.715  -1.754
  461    H    LEU  60           H        LEU  60   4.781   2.223  -5.020
  462    HA   LEU  60           HA       LEU  60   7.285   3.379  -4.794
  463    HB2  LEU  60           2HB      LEU  60   5.113   3.503  -6.813
  464    HB3  LEU  60           1HB      LEU  60   6.417   4.652  -6.955
  465    HG   LEU  60           HG       LEU  60   6.653   2.692  -8.352
  466   HD11  LEU  60          1HD1      LEU  60   8.619   3.972  -7.535
  467   HD12  LEU  60          2HD1      LEU  60   8.987   2.283  -7.889
  468   HD13  LEU  60          3HD1      LEU  60   8.772   2.807  -6.218
  469   HD21  LEU  60          3HD2      LEU  60   6.902   1.185  -5.769
  470   HD22  LEU  60          1HD2      LEU  60   7.316   0.536  -7.357
  471   HD23  LEU  60          2HD2      LEU  60   5.650   0.988  -6.995
  472    H    GLN  61           H        GLN  61   4.185   5.083  -5.113
  473    HA   GLN  61           HA       GLN  61   5.243   7.658  -4.919
  474    HB2  GLN  61           2HB      GLN  61   2.978   8.423  -4.527
  475    HB3  GLN  61           1HB      GLN  61   2.987   7.184  -5.746
  476    HG2  GLN  61           2HG      GLN  61   2.209   5.585  -4.177
  477    HG3  GLN  61           1HG      GLN  61   2.314   6.784  -2.913
  478   HE21  GLN  61          1HE2      GLN  61   0.576   5.780  -5.724
  479   HE22  GLN  61          2HE2      GLN  61  -0.810   6.769  -5.454
  480    H    HIS  62           H        HIS  62   4.048   5.548  -2.324
  481    HA   HIS  62           HA       HIS  62   4.528   7.396  -0.203
  482    HB2  HIS  62           2HB      HIS  62   3.218   5.231   0.032
  483    HB3  HIS  62           1HB      HIS  62   4.739   4.370  -0.046
  484    HD1  HIS  62           1HD      HIS  62   5.711   3.875   2.132
  485    HD2  HIS  62           2HD      HIS  62   3.258   7.229   2.251
  486    HE1  HIS  62           1HE      HIS  62   5.639   4.584   4.516
  487    HE2  HIS  62           2HE      HIS  62   4.126   6.595   4.605
  488    H    ILE  63           H        ILE  63   6.533   4.907  -1.708
  489    HA   ILE  63           HA       ILE  63   8.844   5.103  -0.248
  490    HB   ILE  63           HB       ILE  63   8.502   4.860  -3.215
  491   HG12  ILE  63          2HG1      ILE  63   7.683   3.016  -1.847
  492   HG13  ILE  63          1HG1      ILE  63   9.095   2.551  -2.757
  493   HG21  ILE  63          1HG2      ILE  63  10.655   5.773  -3.043
  494   HG22  ILE  63          2HG2      ILE  63  10.914   4.030  -3.125
  495   HG23  ILE  63          3HG2      ILE  63  11.015   4.868  -1.572
  496   HD11  ILE  63          3HD1      ILE  63   9.167   1.653  -0.525
  497   HD12  ILE  63          1HD1      ILE  63   9.071   3.285   0.134
  498   HD13  ILE  63          2HD1      ILE  63  10.486   2.792  -0.799
  499    H    HIS  64           H        HIS  64   7.819   7.180  -2.904
  500    HA   HIS  64           HA       HIS  64  10.011   8.935  -3.005
  501    HB2  HIS  64           2HB      HIS  64   8.414   9.002  -4.775
  502    HB3  HIS  64           1HB      HIS  64   7.084   9.185  -3.676
  503    HD1  HIS  64           1HD      HIS  64   7.632  11.418  -2.162
  504    HD2  HIS  64           2HD      HIS  64   8.637  11.367  -6.164
  505    HE1  HIS  64           1HE      HIS  64   7.910  13.846  -2.808
  506    HE2  HIS  64           2HE      HIS  64   8.698  13.783  -5.201
  507    H    ARG  65           H        ARG  65   6.941   9.288  -1.367
  508    HA   ARG  65           HA       ARG  65   7.322  11.565   0.047
  509    HB2  ARG  65           2HB      ARG  65   5.928   9.085   0.801
  510    HB3  ARG  65           1HB      ARG  65   5.604  10.648   1.470
  511    HG2  ARG  65           2HG      ARG  65   5.314   9.907  -1.401
  512    HG3  ARG  65           1HG      ARG  65   4.034  10.082  -0.245
  513    HD2  ARG  65           2HD      ARG  65   5.891  12.344  -0.749
  514    HD3  ARG  65           1HD      ARG  65   4.563  12.012  -1.841
  515    HE   ARG  65           HE       ARG  65   3.457  12.074   0.682
  516   HH11  ARG  65          1HH1      ARG  65   5.164  14.347  -1.380
  517   HH12  ARG  65          2HH1      ARG  65   4.424  15.741  -0.662
  518   HH21  ARG  65          1HH2      ARG  65   2.493  13.894   1.612
  519   HH22  ARG  65          2HH2      ARG  65   2.922  15.490   1.060
  520    H    LEU  66           H        LEU  66   8.069   8.298   1.117
  521    HA   LEU  66           HA       LEU  66   9.308   8.724   3.547
  522    HB2  LEU  66           2HB      LEU  66  10.038   6.804   1.360
  523    HB3  LEU  66           1HB      LEU  66  10.575   6.644   3.003
  524    HG   LEU  66           HG       LEU  66   7.744   6.602   2.065
  525   HD11  LEU  66          1HD1      LEU  66   8.957   4.598   1.382
  526   HD12  LEU  66          2HD1      LEU  66   7.815   4.219   2.672
  527   HD13  LEU  66          3HD1      LEU  66   9.532   4.374   3.036
  528   HD21  LEU  66          3HD2      LEU  66   7.248   5.931   4.366
  529   HD22  LEU  66          1HD2      LEU  66   8.002   7.522   4.292
  530   HD23  LEU  66          2HD2      LEU  66   8.956   6.121   4.770
  531    H    LYS  67           H        LYS  67  10.603   9.021   0.361
  532    HA   LYS  67           HA       LYS  67  13.290   9.580   1.101
  533    HB2  LYS  67           2HB      LYS  67  11.866  10.170  -1.491
  534    HB3  LYS  67           1HB      LYS  67  13.565   9.898  -1.246
  535    HG2  LYS  67           2HG      LYS  67  12.977   7.631  -0.445
  536    HG3  LYS  67           1HG      LYS  67  11.371   7.928  -1.064
  537    HD2  LYS  67           2HD      LYS  67  13.817   8.200  -2.730
  538    HD3  LYS  67           1HD      LYS  67  12.962   6.675  -2.580
  539    HE2  LYS  67           2HE      LYS  67  10.984   7.614  -3.516
  540    HE3  LYS  67           1HE      LYS  67  11.668   9.248  -3.489
  541    HZ1  LYS  67           3HZ      LYS  67  12.220   6.998  -5.313
  542    HZ2  LYS  67           1HZ      LYS  67  13.474   8.099  -5.000
  543    HZ3  LYS  67           2HZ      LYS  67  12.015   8.644  -5.673
  544    H    HIS  68           H        HIS  68  10.506  11.545   0.231
  545    HA   HIS  68           HA       HIS  68  11.385  13.917   1.276
  546    HB2  HIS  68           2HB      HIS  68  11.721  15.145  -0.872
  547    HB3  HIS  68           1HB      HIS  68  13.038  14.103  -0.408
  548    HD1  HIS  68           1HD      HIS  68  10.766  11.834  -1.678
  549    HD2  HIS  68           2HD      HIS  68  13.112  14.757  -3.461
  550    HE1  HIS  68           1HE      HIS  68  11.046  11.111  -4.083
  551    HE2  HIS  68           2HE      HIS  68  12.515  12.870  -5.131
  552    H    GLU  69           H        GLU  69   9.381  14.352   1.947
  553    HA   GLU  69           HA       GLU  69   7.107  13.986   0.283
  554    HB2  GLU  69           2HB      GLU  69   7.705  14.837   3.046
  555    HB3  GLU  69           1HB      GLU  69   6.167  15.245   2.372
  556    HG2  GLU  69           2HG      GLU  69   5.532  13.034   2.108
  557    HG3  GLU  69           1HG      GLU  69   7.187  12.483   2.293
  Start of MODEL    4
    1    H    SER   5           H        SER   5 -18.959   6.303  -1.985
    2    HA   SER   5           HA       SER   5 -17.660   3.669  -2.221
    3    HB2  SER   5           2HB      SER   5 -16.775   6.112  -3.731
    4    HB3  SER   5           1HB      SER   5 -16.547   4.417  -4.139
    5    HG   SER   5           HG       SER   5 -18.499   4.332  -4.995
    6    H    GLN   6           H        GLN   6 -17.613   4.941   0.248
    7    HA   GLN   6           HA       GLN   6 -15.290   6.528   0.623
    8    HB2  GLN   6           2HB      GLN   6 -16.961   4.940   2.551
    9    HB3  GLN   6           1HB      GLN   6 -15.614   5.950   3.049
   10    HG2  GLN   6           2HG      GLN   6 -18.135   6.852   1.677
   11    HG3  GLN   6           1HG      GLN   6 -17.680   7.137   3.357
   12   HE21  GLN   6          1HE2      GLN   6 -17.229   8.078   0.065
   13   HE22  GLN   6          2HE2      GLN   6 -16.266   9.480   0.378
   14    H    GLN   7           H        GLN   7 -15.909   3.105   0.567
   15    HA   GLN   7           HA       GLN   7 -13.611   2.150   1.848
   16    HB2  GLN   7           2HB      GLN   7 -15.605   0.822   1.106
   17    HB3  GLN   7           1HB      GLN   7 -14.942   0.847  -0.511
   18    HG2  GLN   7           2HG      GLN   7 -14.431  -1.205   0.633
   19    HG3  GLN   7           1HG      GLN   7 -12.985  -0.290   0.293
   20   HE21  GLN   7          1HE2      GLN   7 -11.840  -1.394   1.881
   21   HE22  GLN   7          2HE2      GLN   7 -12.089  -1.095   3.564
   22    H    ILE   8           H        ILE   8 -14.110   3.401  -1.362
   23    HA   ILE   8           HA       ILE   8 -11.801   2.509  -2.632
   24    HB   ILE   8           HB       ILE   8 -13.281   5.066  -3.063
   25   HG12  ILE   8          2HG1      ILE   8 -14.780   3.257  -3.327
   26   HG13  ILE   8          1HG1      ILE   8 -14.267   3.730  -4.931
   27   HG21  ILE   8          1HG2      ILE   8 -11.064   5.160  -4.073
   28   HG22  ILE   8          2HG2      ILE   8 -12.313   5.042  -5.312
   29   HG23  ILE   8          3HG2      ILE   8 -11.363   3.621  -4.878
   30   HD11  ILE   8          3HD1      ILE   8 -14.340   1.333  -4.708
   31   HD12  ILE   8          1HD1      ILE   8 -13.180   1.433  -3.385
   32   HD13  ILE   8          2HD1      ILE   8 -12.701   1.911  -5.011
   33    H    ALA   9           H        ALA   9 -12.312   5.025  -0.350
   34    HA   ALA   9           HA       ALA   9  -9.665   6.168  -0.787
   35    HB1  ALA   9           1HB      ALA   9 -11.546   7.724  -0.630
   36    HB2  ALA   9           2HB      ALA   9 -10.388   7.979   0.676
   37    HB3  ALA   9           3HB      ALA   9 -11.899   7.127   0.992
   38    H    THR  10           H        THR  10 -11.631   4.894   1.828
   39    HA   THR  10           HA       THR  10  -9.683   5.061   3.831
   40    HB   THR  10           HB       THR  10 -11.125   3.436   5.067
   41    HG1  THR  10           1HG      THR  10 -13.298   3.372   3.758
   42   HG21  THR  10          3HG2      THR  10 -13.014   4.986   5.298
   43   HG22  THR  10          1HG2      THR  10 -12.513   5.810   3.819
   44   HG23  THR  10          2HG2      THR  10 -11.476   5.846   5.245
   45    H    ALA  11           H        ALA  11 -10.528   2.365   1.649
   46    HA   ALA  11           HA       ALA  11  -8.800   0.483   2.882
   47    HB1  ALA  11           1HB      ALA  11  -9.701   0.582   0.002
   48    HB2  ALA  11           2HB      ALA  11 -10.568  -0.198   1.324
   49    HB3  ALA  11           3HB      ALA  11  -8.991  -0.808   0.823
   50    H    LYS  12           H        LYS  12  -8.364   2.769   0.216
   51    HA   LYS  12           HA       LYS  12  -5.669   2.163  -0.316
   52    HB2  LYS  12           2HB      LYS  12  -7.051   3.544  -1.811
   53    HB3  LYS  12           1HB      LYS  12  -7.117   4.805  -0.591
   54    HG2  LYS  12           2HG      LYS  12  -4.706   5.107  -0.750
   55    HG3  LYS  12           1HG      LYS  12  -4.622   3.818  -1.951
   56    HD2  LYS  12           2HD      LYS  12  -5.963   5.111  -3.488
   57    HD3  LYS  12           1HD      LYS  12  -6.184   6.376  -2.275
   58    HE2  LYS  12           2HE      LYS  12  -3.783   6.806  -2.276
   59    HE3  LYS  12           1HE      LYS  12  -3.547   5.522  -3.460
   60    HZ1  LYS  12           3HZ      LYS  12  -4.843   6.760  -5.048
   61    HZ2  LYS  12           1HZ      LYS  12  -3.576   7.729  -4.471
   62    HZ3  LYS  12           2HZ      LYS  12  -5.159   7.976  -3.912
   63    H    ASP  13           H        ASP  13  -7.195   4.533   1.775
   64    HA   ASP  13           HA       ASP  13  -4.970   5.776   2.891
   65    HB2  ASP  13           2HB      ASP  13  -7.438   6.379   3.184
   66    HB3  ASP  13           1HB      ASP  13  -7.533   5.075   4.359
   67    H    LYS  14           H        LYS  14  -6.730   2.905   4.193
   68    HA   LYS  14           HA       LYS  14  -4.960   2.387   6.275
   69    HB2  LYS  14           2HB      LYS  14  -7.096   0.993   4.891
   70    HB3  LYS  14           1HB      LYS  14  -5.819  -0.108   5.382
   71    HG2  LYS  14           2HG      LYS  14  -7.007  -0.158   7.275
   72    HG3  LYS  14           1HG      LYS  14  -6.084   1.287   7.645
   73    HD2  LYS  14           2HD      LYS  14  -8.433   1.658   8.126
   74    HD3  LYS  14           1HD      LYS  14  -7.924   2.666   6.770
   75    HE2  LYS  14           2HE      LYS  14 -10.092   1.692   6.305
   76    HE3  LYS  14           1HE      LYS  14  -8.885   1.021   5.211
   77    HZ1  LYS  14           3HZ      LYS  14 -10.014  -0.295   7.624
   78    HZ2  LYS  14           1HZ      LYS  14  -8.756  -0.941   6.678
   79    HZ3  LYS  14           2HZ      LYS  14 -10.299  -0.723   6.011
   80    H    TYR  15           H        TYR  15  -4.998   1.067   2.961
   81    HA   TYR  15           HA       TYR  15  -2.728  -0.524   3.183
   82    HB2  TYR  15           2HB      TYR  15  -4.210  -0.680   1.273
   83    HB3  TYR  15           1HB      TYR  15  -3.782   0.957   0.775
   84    HD1  TYR  15           2HD      TYR  15  -2.593  -2.492   1.065
   85    HD2  TYR  15           1HD      TYR  15  -1.724   1.415  -0.367
   86    HE1  TYR  15           2HE      TYR  15  -0.736  -3.408  -0.253
   87    HE2  TYR  15           1HE      TYR  15   0.132   0.509  -1.720
   88    HH   TYR  15           HH       TYR  15   1.567  -1.384  -1.815
   89    H    GLU  16           H        GLU  16  -3.042   2.855   2.239
   90    HA   GLU  16           HA       GLU  16  -0.411   3.505   1.752
   91    HB2  GLU  16           2HB      GLU  16  -2.758   4.999   2.859
   92    HB3  GLU  16           1HB      GLU  16  -1.208   5.787   2.736
   93    HG2  GLU  16           2HG      GLU  16  -1.537   4.615   0.269
   94    HG3  GLU  16           1HG      GLU  16  -3.144   5.194   0.693
   95    H    TRP  17           H        TRP  17  -2.107   3.264   4.875
   96    HA   TRP  17           HA       TRP  17   0.226   3.925   6.390
   97    HB2  TRP  17           2HB      TRP  17  -1.691   4.230   7.673
   98    HB3  TRP  17           1HB      TRP  17  -2.434   2.784   7.064
   99    HD1  TRP  17           HD       TRP  17   0.664   3.459   9.196
  100    HE1  TRP  17           1HE      TRP  17   0.720   1.760  11.111
  101    HE3  TRP  17           3HE      TRP  17  -3.295   0.869   7.842
  102    HZ2  TRP  17           2HZ      TRP  17  -0.865  -0.461  11.927
  103    HZ3  TRP  17           3HZ      TRP  17  -4.051  -1.064   9.191
  104    HH2  TRP  17           HH       TRP  17  -2.815  -1.706  11.194
  105    H    LEU  18           H        LEU  18  -1.278   0.945   5.218
  106    HA   LEU  18           HA       LEU  18   0.117  -0.826   6.791
  107    HB2  LEU  18           2HB      LEU  18  -1.062  -0.983   4.041
  108    HB3  LEU  18           1HB      LEU  18   0.090  -2.231   4.447
  109    HG   LEU  18           HG       LEU  18  -2.384  -2.795   4.784
  110   HD11  LEU  18          1HD1      LEU  18  -0.512  -3.007   7.161
  111   HD12  LEU  18          2HD1      LEU  18  -0.536  -4.093   5.771
  112   HD13  LEU  18          3HD1      LEU  18  -1.928  -4.011   6.853
  113   HD21  LEU  18          3HD2      LEU  18  -1.952  -0.960   7.147
  114   HD22  LEU  18          1HD2      LEU  18  -3.353  -1.998   6.880
  115   HD23  LEU  18          2HD2      LEU  18  -3.022  -0.660   5.778
  116    H    VAL  19           H        VAL  19   0.958   0.533   3.646
  117    HA   VAL  19           HA       VAL  19   3.566  -0.444   3.415
  118    HB   VAL  19           HB       VAL  19   2.381   2.121   2.332
  119   HG11  VAL  19          1HG1      VAL  19   4.838   2.257   2.464
  120   HG12  VAL  19          2HG1      VAL  19   4.261   2.194   0.798
  121   HG13  VAL  19          3HG1      VAL  19   4.955   0.755   1.547
  122   HG21  VAL  19          3HG2      VAL  19   2.893  -0.570   1.077
  123   HG22  VAL  19          1HG2      VAL  19   2.263   0.848   0.239
  124   HG23  VAL  19          2HG2      VAL  19   1.315   0.088   1.519
  125    H    SER  20           H        SER  20   2.373   2.504   5.050
  126    HA   SER  20           HA       SER  20   5.006   3.369   5.707
  127    HB2  SER  20           2HB      SER  20   3.968   5.048   7.025
  128    HB3  SER  20           1HB      SER  20   2.974   4.844   5.598
  129    HG   SER  20           HG       SER  20   1.975   3.187   7.329
  130    H    ARG  21           H        ARG  21   2.821   1.095   7.103
  131    HA   ARG  21           HA       ARG  21   3.956   1.190   9.690
  132    HB2  ARG  21           2HB      ARG  21   2.131   0.026  10.321
  133    HB3  ARG  21           1HB      ARG  21   1.493   0.506   8.762
  134    HG2  ARG  21           2HG      ARG  21   2.138  -1.514   7.830
  135    HG3  ARG  21           1HG      ARG  21   2.999  -2.003   9.260
  136    HD2  ARG  21           2HD      ARG  21   0.853  -1.913  10.512
  137    HD3  ARG  21           1HD      ARG  21   0.034  -1.605   8.984
  138    HE   ARG  21           HE       ARG  21   1.041  -3.853   8.314
  139   HH11  ARG  21          1HH1      ARG  21   0.218  -3.028  11.606
  140   HH12  ARG  21          2HH1      ARG  21  -0.249  -4.645  12.039
  141   HH21  ARG  21          1HH2      ARG  21   0.421  -6.003   8.874
  142   HH22  ARG  21          2HH2      ARG  21  -0.140  -6.325  10.487
  143    H    ILE  22           H        ILE  22   4.534  -0.325   6.766
  144    HA   ILE  22           HA       ILE  22   6.384  -2.259   7.993
  145    HB   ILE  22           HB       ILE  22   5.468  -2.194   5.129
  146   HG12  ILE  22          2HG1      ILE  22   3.596  -2.660   6.674
  147   HG13  ILE  22          1HG1      ILE  22   4.019  -4.040   5.688
  148   HG21  ILE  22          1HG2      ILE  22   6.343  -4.535   5.160
  149   HG22  ILE  22          2HG2      ILE  22   7.031  -4.193   6.747
  150   HG23  ILE  22          3HG2      ILE  22   7.574  -3.286   5.336
  151   HD11  ILE  22          3HD1      ILE  22   3.515  -4.724   7.928
  152   HD12  ILE  22          1HD1      ILE  22   4.766  -3.651   8.561
  153   HD13  ILE  22          2HD1      ILE  22   5.209  -5.032   7.553
  154    H    VAL  23           H        VAL  23   6.217  -0.407   4.983
  155    HA   VAL  23           HA       VAL  23   9.043  -0.143   4.642
  156    HB   VAL  23           HB       VAL  23   6.707   1.218   3.285
  157   HG11  VAL  23          1HG1      VAL  23   8.816   2.396   2.938
  158   HG12  VAL  23          2HG1      VAL  23   8.265   1.621   1.454
  159   HG13  VAL  23          3HG1      VAL  23   9.572   0.898   2.394
  160   HG21  VAL  23          3HG2      VAL  23   6.666  -1.249   3.180
  161   HG22  VAL  23          1HG2      VAL  23   8.263  -1.219   2.432
  162   HG23  VAL  23          2HG2      VAL  23   6.884  -0.495   1.603
  163    H    LYS  24           H        LYS  24  10.269   1.194   5.757
  164    HA   LYS  24           HA       LYS  24   9.045   3.638   6.845
  165    HB2  LYS  24           2HB      LYS  24  11.529   2.282   7.815
  166    HB3  LYS  24           1HB      LYS  24  10.673   3.591   8.589
  167    HG2  LYS  24           2HG      LYS  24   9.556   0.851   8.148
  168    HG3  LYS  24           1HG      LYS  24  10.328   1.400   9.624
  169    HD2  LYS  24           2HD      LYS  24   8.657   3.311   9.506
  170    HD3  LYS  24           1HD      LYS  24   7.754   2.238   8.429
  171    HE2  LYS  24           2HE      LYS  24   8.624   1.686  11.259
  172    HE3  LYS  24           1HE      LYS  24   6.996   1.900  10.664
  173    HZ1  LYS  24           3HZ      LYS  24   8.770  -0.314   9.820
  174    HZ2  LYS  24           1HZ      LYS  24   7.126  -0.135   9.457
  175    HZ3  LYS  24           2HZ      LYS  24   7.608  -0.452  11.048
  176    H    ASN  25           H        ASN  25  12.217   2.456   5.723
  177    HA   ASN  25           HA       ASN  25  12.999   5.213   5.219
  178    HB2  ASN  25           2HB      ASN  25  15.233   4.475   5.157
  179    HB3  ASN  25           1HB      ASN  25  14.478   3.556   6.444
  180   HD21  ASN  25          1HD2      ASN  25  13.158   1.696   4.569
  181   HD22  ASN  25          2HD2      ASN  25  14.429   0.687   3.981
  182    H    HIS  26           H        HIS  26  11.250   3.256   3.473
  183    HA   HIS  26           HA       HIS  26  10.671   3.067   1.308
  184    HB2  HIS  26           2HB      HIS  26  10.970   4.863  -0.176
  185    HB3  HIS  26           1HB      HIS  26  10.896   5.602   1.376
  186    HD1  HIS  26           1HD      HIS  26  12.345   7.480   1.406
  187    HD2  HIS  26           2HD      HIS  26  14.047   4.397  -0.758
  188    HE1  HIS  26           1HE      HIS  26  14.636   8.282   0.791
  189    HE2  HIS  26           2HE      HIS  26  15.689   6.368  -0.465
  190    H    ASN  27           H        ASN  27  13.626   2.292   2.296
  191    HA   ASN  27           HA       ASN  27  14.736   1.781  -0.357
  192    HB2  ASN  27           2HB      ASN  27  15.863   2.050   2.377
  193    HB3  ASN  27           1HB      ASN  27  16.679   0.948   1.292
  194   HD21  ASN  27          1HD2      ASN  27  15.769   4.291   1.796
  195   HD22  ASN  27          2HD2      ASN  27  16.939   4.890   0.686
  196    H    GLU  28           H        GLU  28  12.524   0.415   1.276
  197    HA   GLU  28           HA       GLU  28  13.224  -2.334   1.362
  198    HB2  GLU  28           2HB      GLU  28  10.602  -0.848   1.191
  199    HB3  GLU  28           1HB      GLU  28  10.686  -2.593   1.225
  200    HG2  GLU  28           2HG      GLU  28  10.201  -1.961   3.405
  201    HG3  GLU  28           1HG      GLU  28  11.905  -2.367   3.425
  202    H    ASN  29           H        ASN  29  11.674  -3.826  -0.088
  203    HA   ASN  29           HA       ASN  29  11.802  -2.909  -2.884
  204    HB2  ASN  29           2HB      ASN  29  12.701  -5.569  -1.773
  205    HB3  ASN  29           1HB      ASN  29  12.345  -5.329  -3.480
  206   HD21  ASN  29          1HD2      ASN  29  14.564  -4.760  -0.912
  207   HD22  ASN  29          2HD2      ASN  29  15.819  -4.061  -1.869
  208    H    TRP  30           H        TRP  30   9.884  -2.982  -3.832
  209    HA   TRP  30           HA       TRP  30   7.547  -3.349  -2.563
  210    HB2  TRP  30           2HB      TRP  30   7.350  -2.253  -4.570
  211    HB3  TRP  30           1HB      TRP  30   8.190  -3.498  -5.459
  212    HD1  TRP  30           HD       TRP  30   6.668  -4.715  -6.927
  213    HE1  TRP  30           1HE      TRP  30   4.228  -5.564  -6.889
  214    HE3  TRP  30           3HE      TRP  30   5.332  -2.797  -2.467
  215    HZ2  TRP  30           2HZ      TRP  30   1.999  -5.370  -5.133
  216    HZ3  TRP  30           3HZ      TRP  30   3.050  -3.115  -1.662
  217    HH2  TRP  30           HH       TRP  30   1.406  -4.382  -2.959
  218    H    LEU  31           H        LEU  31   8.780  -5.905  -4.751
  219    HA   LEU  31           HA       LEU  31   6.596  -7.559  -4.418
  220    HB2  LEU  31           2HB      LEU  31   9.417  -8.120  -5.212
  221    HB3  LEU  31           1HB      LEU  31   8.195  -9.358  -5.169
  222    HG   LEU  31           HG       LEU  31   7.971  -6.870  -6.763
  223   HD11  LEU  31          1HD1      LEU  31   8.395  -8.302  -8.701
  224   HD12  LEU  31          2HD1      LEU  31   8.730  -9.640  -7.600
  225   HD13  LEU  31          3HD1      LEU  31   9.772  -8.218  -7.605
  226   HD21  LEU  31          3HD2      LEU  31   5.829  -7.869  -6.081
  227   HD22  LEU  31          1HD2      LEU  31   6.327  -9.387  -6.829
  228   HD23  LEU  31          2HD2      LEU  31   6.081  -7.951  -7.825
  229    H    SER  32           H        SER  32   9.724  -7.803  -2.723
  230    HA   SER  32           HA       SER  32   8.929  -9.985  -1.133
  231    HB2  SER  32           2HB      SER  32  11.044  -8.133  -0.227
  232    HB3  SER  32           1HB      SER  32  11.029  -9.884  -0.236
  233    HG   SER  32           HG       SER  32  11.955  -9.843  -2.115
  234    H    VAL  33           H        VAL  33   8.588  -6.520  -0.734
  235    HA   VAL  33           HA       VAL  33   7.901  -6.727   2.057
  236    HB   VAL  33           HB       VAL  33   7.293  -4.425   0.178
  237   HG11  VAL  33          1HG1      VAL  33   7.262  -3.095   2.233
  238   HG12  VAL  33          2HG1      VAL  33   7.501  -4.565   3.175
  239   HG13  VAL  33          3HG1      VAL  33   6.020  -4.351   2.239
  240   HG21  VAL  33          3HG2      VAL  33   9.707  -5.021   0.257
  241   HG22  VAL  33          1HG2      VAL  33   9.672  -4.745   1.998
  242   HG23  VAL  33          2HG2      VAL  33   9.340  -3.416   0.885
  243    H    SER  34           H        SER  34   6.267  -6.897  -1.005
  244    HA   SER  34           HA       SER  34   3.595  -6.804  -0.024
  245    HB2  SER  34           2HB      SER  34   3.532  -6.566  -2.306
  246    HB3  SER  34           1HB      SER  34   4.968  -7.555  -2.554
  247    HG   SER  34           HG       SER  34   2.282  -8.280  -2.469
  248    H    ARG  35           H        ARG  35   5.957  -9.373  -0.516
  249    HA   ARG  35           HA       ARG  35   4.599 -11.643   0.161
  250    HB2  ARG  35           2HB      ARG  35   7.336 -10.733   1.006
  251    HB3  ARG  35           1HB      ARG  35   6.774 -12.363   0.890
  252    HG2  ARG  35           2HG      ARG  35   7.086 -10.492  -1.331
  253    HG3  ARG  35           1HG      ARG  35   8.089 -11.867  -0.961
  254    HD2  ARG  35           2HD      ARG  35   6.133 -13.298  -1.219
  255    HD3  ARG  35           1HD      ARG  35   5.192 -11.908  -1.723
  256    HE   ARG  35           HE       ARG  35   7.534 -12.881  -3.235
  257   HH11  ARG  35          1HH1      ARG  35   4.243 -11.681  -3.094
  258   HH12  ARG  35          2HH1      ARG  35   4.018 -11.735  -4.814
  259   HH21  ARG  35          1HH2      ARG  35   7.243 -12.939  -5.491
  260   HH22  ARG  35          2HH2      ARG  35   5.723 -12.451  -6.177
  261    H    LYS  36           H        LYS  36   6.454  -9.546   2.190
  262    HA   LYS  36           HA       LYS  36   5.663 -10.222   4.729
  263    HB2  LYS  36           2HB      LYS  36   6.295  -7.580   3.444
  264    HB3  LYS  36           1HB      LYS  36   5.997  -7.729   5.159
  265    HG2  LYS  36           2HG      LYS  36   7.831  -9.339   5.250
  266    HG3  LYS  36           1HG      LYS  36   8.213  -8.992   3.593
  267    HD2  LYS  36           2HD      LYS  36   8.495  -6.669   4.209
  268    HD3  LYS  36           1HD      LYS  36   8.266  -7.102   5.897
  269    HE2  LYS  36           2HE      LYS  36  10.635  -6.937   5.102
  270    HE3  LYS  36           1HE      LYS  36  10.212  -8.429   5.918
  271    HZ1  LYS  36           3HZ      LYS  36   9.932  -9.406   3.667
  272    HZ2  LYS  36           1HZ      LYS  36  11.518  -8.924   4.009
  273    HZ3  LYS  36           2HZ      LYS  36  10.544  -7.973   3.002
  274    H    MET  37           H        MET  37   4.441  -7.448   3.071
  275    HA   MET  37           HA       MET  37   2.340  -6.769   4.673
  276    HB2  MET  37           2HB      MET  37   3.010  -6.218   1.842
  277    HB3  MET  37           1HB      MET  37   1.411  -5.755   2.393
  278    HG2  MET  37           2HG      MET  37   2.605  -4.567   4.323
  279    HG3  MET  37           1HG      MET  37   4.074  -4.820   3.389
  280    HE1  MET  37           3HE      MET  37   3.359  -2.745   0.124
  281    HE2  MET  37           1HE      MET  37   3.126  -4.473   0.388
  282    HE3  MET  37           2HE      MET  37   4.571  -3.669   1.007
  283    H    GLN  38           H        GLN  38   2.142  -9.230   2.121
  284    HA   GLN  38           HA       GLN  38  -0.641  -9.161   1.797
  285    HB2  GLN  38           2HB      GLN  38  -0.452 -11.358   0.815
  286    HB3  GLN  38           1HB      GLN  38   0.831 -10.319   0.235
  287    HG2  GLN  38           2HG      GLN  38   2.344 -11.398   1.882
  288    HG3  GLN  38           1HG      GLN  38   1.040 -12.517   2.272
  289   HE21  GLN  38          1HE2      GLN  38   2.182 -14.303   1.585
  290   HE22  GLN  38          2HE2      GLN  38   2.505 -14.617  -0.085
  291    H    ALA  39           H        ALA  39   1.262 -10.439   4.324
  292    HA   ALA  39           HA       ALA  39  -0.630 -12.213   5.455
  293    HB1  ALA  39           1HB      ALA  39   1.564 -10.665   6.824
  294    HB2  ALA  39           2HB      ALA  39   1.739 -12.242   6.057
  295    HB3  ALA  39           3HB      ALA  39   0.711 -12.062   7.479
  296    H    SER  40           H        SER  40  -0.682  -8.865   5.128
  297    HA   SER  40           HA       SER  40  -2.459  -8.512   7.415
  298    HB2  SER  40           2HB      SER  40  -1.207  -6.363   5.694
  299    HB3  SER  40           1HB      SER  40  -2.097  -6.135   7.194
  300    HG   SER  40           HG       SER  40   0.396  -7.496   6.910
  301    HA   PRO  41           HA       PRO  41  -6.042  -8.676   4.978
  302    HB2  PRO  41           2HB      PRO  41  -7.429  -6.836   6.563
  303    HB3  PRO  41           1HB      PRO  41  -7.397  -8.573   6.762
  304    HG2  PRO  41           2HG      PRO  41  -5.985  -6.510   8.249
  305    HG3  PRO  41           1HG      PRO  41  -6.423  -8.142   8.737
  306    HD2  PRO  41           2HD      PRO  41  -3.876  -7.357   8.119
  307    HD3  PRO  41           1HD      PRO  41  -4.446  -9.027   7.980
  308    H    GLU  42           H        GLU  42  -4.918  -5.565   6.055
  309    HA   GLU  42           HA       GLU  42  -6.552  -4.082   4.354
  310    HB2  GLU  42           2HB      GLU  42  -3.946  -3.199   5.527
  311    HB3  GLU  42           1HB      GLU  42  -5.262  -2.165   4.989
  312    HG2  GLU  42           2HG      GLU  42  -5.270  -4.046   7.338
  313    HG3  GLU  42           1HG      GLU  42  -5.281  -2.284   7.382
  314    H    TYR  43           H        TYR  43  -3.274  -5.258   3.948
  315    HA   TYR  43           HA       TYR  43  -2.791  -4.114   1.434
  316    HB2  TYR  43           2HB      TYR  43  -0.912  -5.042   2.489
  317    HB3  TYR  43           1HB      TYR  43  -1.736  -6.557   2.827
  318    HD1  TYR  43           1HD      TYR  43  -2.095  -8.193   0.977
  319    HD2  TYR  43           2HD      TYR  43   0.258  -4.688   0.437
  320    HE1  TYR  43           1HE      TYR  43  -1.134  -9.168  -1.057
  321    HE2  TYR  43           2HE      TYR  43   1.212  -5.650  -1.623
  322    HH   TYR  43           HH       TYR  43  -0.082  -8.420  -3.130
  323    H    GLN  44           H        GLN  44  -4.145  -7.269   2.344
  324    HA   GLN  44           HA       GLN  44  -4.693  -8.343  -0.148
  325    HB2  GLN  44           2HB      GLN  44  -6.386  -8.455   2.346
  326    HB3  GLN  44           1HB      GLN  44  -6.606  -9.485   0.940
  327    HG2  GLN  44           2HG      GLN  44  -4.047  -9.371   2.482
  328    HG3  GLN  44           1HG      GLN  44  -5.384 -10.448   2.882
  329   HE21  GLN  44          1HE2      GLN  44  -2.658 -11.088   1.996
  330   HE22  GLN  44          2HE2      GLN  44  -2.837 -12.028   0.553
  331    H    ASP  45           H        ASP  45  -7.057  -6.775   1.893
  332    HA   ASP  45           HA       ASP  45  -9.153  -6.503   0.219
  333    HB2  ASP  45           2HB      ASP  45  -8.176  -4.731   2.416
  334    HB3  ASP  45           1HB      ASP  45  -9.634  -4.315   1.524
  335    H    TYR  46           H        TYR  46  -6.428  -4.233   0.311
  336    HA   TYR  46           HA       TYR  46  -7.596  -2.504  -1.635
  337    HB2  TYR  46           2HB      TYR  46  -5.863  -1.686  -0.089
  338    HB3  TYR  46           1HB      TYR  46  -4.686  -2.738  -0.879
  339    HD1  TYR  46           2HD      TYR  46  -6.932   0.148  -1.420
  340    HD2  TYR  46           1HD      TYR  46  -3.614  -2.069  -2.887
  341    HE1  TYR  46           2HE      TYR  46  -6.524   1.888  -3.105
  342    HE2  TYR  46           1HE      TYR  46  -3.198  -0.338  -4.582
  343    HH   TYR  46           HH       TYR  46  -4.489   1.437  -5.757
  344    H    VAL  47           H        VAL  47  -5.414  -5.235  -1.860
  345    HA   VAL  47           HA       VAL  47  -5.013  -4.822  -4.651
  346    HB   VAL  47           HB       VAL  47  -4.447  -7.245  -2.938
  347   HG11  VAL  47          1HG1      VAL  47  -2.976  -8.002  -4.761
  348   HG12  VAL  47          2HG1      VAL  47  -3.571  -6.680  -5.766
  349   HG13  VAL  47          3HG1      VAL  47  -4.672  -7.953  -5.239
  350   HG21  VAL  47          3HG2      VAL  47  -2.118  -6.508  -3.040
  351   HG22  VAL  47          1HG2      VAL  47  -3.155  -5.289  -2.298
  352   HG23  VAL  47          2HG2      VAL  47  -2.611  -5.088  -3.963
  353    H    TYR  48           H        TYR  48  -7.372  -6.286  -2.702
  354    HA   TYR  48           HA       TYR  48  -8.541  -8.082  -4.553
  355    HB2  TYR  48           2HB      TYR  48  -9.027  -8.469  -2.321
  356    HB3  TYR  48           1HB      TYR  48  -9.262  -6.775  -1.964
  357    HD1  TYR  48           1HD      TYR  48 -10.821  -9.743  -3.499
  358    HD2  TYR  48           2HD      TYR  48 -11.336  -5.780  -2.096
  359    HE1  TYR  48           1HE      TYR  48 -13.270 -10.044  -3.609
  360    HE2  TYR  48           2HE      TYR  48 -13.795  -6.052  -2.199
  361    HH   TYR  48           HH       TYR  48 -15.450  -7.428  -3.347
  362    H    LEU  49           H        LEU  49  -9.391  -4.830  -3.438
  363    HA   LEU  49           HA       LEU  49 -11.445  -4.349  -5.339
  364    HB2  LEU  49           2HB      LEU  49  -9.690  -2.240  -4.114
  365    HB3  LEU  49           1HB      LEU  49 -11.336  -2.060  -4.682
  366    HG   LEU  49           HG       LEU  49 -10.532  -3.732  -2.330
  367   HD11  LEU  49          1HD1      LEU  49 -11.451  -1.887  -0.967
  368   HD12  LEU  49          2HD1      LEU  49 -11.602  -0.914  -2.431
  369   HD13  LEU  49          3HD1      LEU  49 -10.009  -1.421  -1.868
  370   HD21  LEU  49          3HD2      LEU  49 -12.648  -4.377  -3.398
  371   HD22  LEU  49          1HD2      LEU  49 -13.232  -2.722  -3.232
  372   HD23  LEU  49          2HD2      LEU  49 -12.912  -3.692  -1.794
  373    H    GLU  50           H        GLU  50  -8.157  -3.094  -5.146
  374    HA   GLU  50           HA       GLU  50  -8.303  -2.162  -7.901
  375    HB2  GLU  50           2HB      GLU  50  -6.338  -1.753  -5.669
  376    HB3  GLU  50           1HB      GLU  50  -5.944  -1.294  -7.320
  377    HG2  GLU  50           2HG      GLU  50  -8.440  -0.340  -5.991
  378    HG3  GLU  50           1HG      GLU  50  -6.904   0.485  -5.760
  379    H    GLY  51           H        GLY  51  -5.318  -3.308  -6.501
  380    HA2  GLY  51           2HA      GLY  51  -5.007  -5.797  -7.578
  381    HA3  GLY  51           1HA      GLY  51  -4.721  -4.716  -8.934
  382    H    THR  52           H        THR  52  -2.776  -6.425  -8.033
  383    HA   THR  52           HA       THR  52  -1.088  -5.490  -6.025
  384    HB   THR  52           HB       THR  52   0.014  -6.960  -8.376
  385    HG1  THR  52           1HG      THR  52  -1.064  -8.839  -7.051
  386   HG21  THR  52          3HG2      THR  52   0.209  -7.342  -5.387
  387   HG22  THR  52          1HG2      THR  52   1.412  -6.555  -6.407
  388   HG23  THR  52          2HG2      THR  52   1.079  -8.277  -6.604
  389    H    GLN  53           H        GLN  53  -1.206  -4.685  -9.467
  390    HA   GLN  53           HA       GLN  53   1.348  -3.470  -9.564
  391    HB2  GLN  53           2HB      GLN  53  -1.034  -3.079 -11.374
  392    HB3  GLN  53           1HB      GLN  53   0.622  -2.621 -11.732
  393    HG2  GLN  53           2HG      GLN  53   1.040  -5.161 -11.184
  394    HG3  GLN  53           1HG      GLN  53  -0.639  -5.286 -11.683
  395   HE21  GLN  53          1HE2      GLN  53   1.858  -6.263 -12.930
  396   HE22  GLN  53          2HE2      GLN  53   1.832  -5.632 -14.546
  397    H    LYS  54           H        LYS  54  -1.896  -2.243  -9.075
  398    HA   LYS  54           HA       LYS  54  -1.157   0.508  -8.920
  399    HB2  LYS  54           2HB      LYS  54  -3.564  -0.881  -7.942
  400    HB3  LYS  54           1HB      LYS  54  -3.380   0.846  -8.029
  401    HG2  LYS  54           2HG      LYS  54  -2.888   0.475 -10.476
  402    HG3  LYS  54           1HG      LYS  54  -3.575  -1.114 -10.214
  403    HD2  LYS  54           2HD      LYS  54  -5.452   0.294  -9.045
  404    HD3  LYS  54           1HD      LYS  54  -4.879   1.534 -10.150
  405    HE2  LYS  54           2HE      LYS  54  -5.318   0.138 -12.049
  406    HE3  LYS  54           1HE      LYS  54  -5.709  -1.233 -11.012
  407    HZ1  LYS  54           3HZ      LYS  54  -7.728  -0.252 -11.787
  408    HZ2  LYS  54           1HZ      LYS  54  -7.249   1.292 -11.275
  409    HZ3  LYS  54           2HZ      LYS  54  -7.589   0.090 -10.129
  410    H    ALA  55           H        ALA  55  -1.516  -2.083  -6.636
  411    HA   ALA  55           HA       ALA  55  -1.051  -0.524  -4.280
  412    HB1  ALA  55           1HB      ALA  55  -0.589  -2.684  -3.215
  413    HB2  ALA  55           2HB      ALA  55  -0.548  -3.467  -4.795
  414    HB3  ALA  55           3HB      ALA  55  -2.052  -2.761  -4.199
  415    H    LYS  56           H        LYS  56   1.036  -2.170  -6.618
  416    HA   LYS  56           HA       LYS  56   3.462  -1.683  -5.270
  417    HB2  LYS  56           2HB      LYS  56   3.447  -3.331  -6.995
  418    HB3  LYS  56           1HB      LYS  56   2.769  -2.209  -8.164
  419    HG2  LYS  56           2HG      LYS  56   4.798  -0.926  -8.123
  420    HG3  LYS  56           1HG      LYS  56   5.504  -2.025  -6.942
  421    HD2  LYS  56           2HD      LYS  56   5.144  -3.865  -8.605
  422    HD3  LYS  56           1HD      LYS  56   4.708  -2.637  -9.777
  423    HE2  LYS  56           2HE      LYS  56   6.917  -1.555  -9.379
  424    HE3  LYS  56           1HE      LYS  56   7.350  -2.939  -8.377
  425    HZ1  LYS  56           3HZ      LYS  56   8.208  -3.190 -10.603
  426    HZ2  LYS  56           1HZ      LYS  56   6.655  -3.020 -11.265
  427    HZ3  LYS  56           2HZ      LYS  56   7.025  -4.374 -10.311
  428    H    LYS  57           H        LYS  57   1.892  -0.052  -8.026
  429    HA   LYS  57           HA       LYS  57   3.327   2.249  -8.218
  430    HB2  LYS  57           2HB      LYS  57   0.933   1.132  -9.073
  431    HB3  LYS  57           1HB      LYS  57   0.448   2.631  -8.354
  432    HG2  LYS  57           2HG      LYS  57   0.827   2.865 -10.708
  433    HG3  LYS  57           1HG      LYS  57   2.015   3.816  -9.819
  434    HD2  LYS  57           2HD      LYS  57   3.726   2.456 -10.394
  435    HD3  LYS  57           1HD      LYS  57   2.674   1.038 -10.409
  436    HE2  LYS  57           2HE      LYS  57   1.620   1.965 -12.459
  437    HE3  LYS  57           1HE      LYS  57   2.892   3.183 -12.500
  438    HZ1  LYS  57           3HZ      LYS  57   3.430   1.345 -13.950
  439    HZ2  LYS  57           1HZ      LYS  57   3.276   0.238 -12.678
  440    HZ3  LYS  57           2HZ      LYS  57   4.528   1.385 -12.660
  441    H    LEU  58           H        LEU  58   0.801   1.466  -5.872
  442    HA   LEU  58           HA       LEU  58   0.744   3.993  -4.582
  443    HB2  LEU  58           2HB      LEU  58  -1.050   2.252  -4.499
  444    HB3  LEU  58           1HB      LEU  58  -0.012   1.285  -3.488
  445    HG   LEU  58           HG       LEU  58  -0.351   2.576  -1.646
  446   HD11  LEU  58          1HD1      LEU  58   0.404   4.712  -2.592
  447   HD12  LEU  58          2HD1      LEU  58  -1.086   4.929  -1.672
  448   HD13  LEU  58          3HD1      LEU  58  -1.137   4.885  -3.434
  449   HD21  LEU  58          3HD2      LEU  58  -2.461   1.595  -2.269
  450   HD22  LEU  58          1HD2      LEU  58  -2.842   2.991  -3.279
  451   HD23  LEU  58          2HD2      LEU  58  -2.734   3.173  -1.529
  452    H    PHE  59           H        PHE  59   2.382   0.921  -3.824
  453    HA   PHE  59           HA       PHE  59   3.842   1.674  -1.602
  454    HB2  PHE  59           2HB      PHE  59   4.008  -0.583  -2.249
  455    HB3  PHE  59           1HB      PHE  59   4.461  -0.189  -3.893
  456    HD1  PHE  59           1HD      PHE  59   5.663  -0.166  -0.395
  457    HD2  PHE  59           2HD      PHE  59   6.754  -0.107  -4.522
  458    HE1  PHE  59           1HE      PHE  59   8.019  -0.506   0.218
  459    HE2  PHE  59           2HE      PHE  59   9.107  -0.430  -3.899
  460    HZ   PHE  59           HZ       PHE  59   9.743  -0.636  -1.530
  461    H    LEU  60           H        LEU  60   4.653   2.124  -5.011
  462    HA   LEU  60           HA       LEU  60   7.047   3.501  -4.793
  463    HB2  LEU  60           2HB      LEU  60   4.837   3.430  -6.775
  464    HB3  LEU  60           1HB      LEU  60   6.001   4.716  -6.921
  465    HG   LEU  60           HG       LEU  60   6.459   2.851  -8.354
  466   HD11  LEU  60          1HD1      LEU  60   8.292   4.254  -7.473
  467   HD12  LEU  60          2HD1      LEU  60   8.812   2.607  -7.838
  468   HD13  LEU  60          3HD1      LEU  60   8.507   3.085  -6.168
  469   HD21  LEU  60          3HD2      LEU  60   5.586   1.024  -7.041
  470   HD22  LEU  60          1HD2      LEU  60   6.860   1.258  -5.846
  471   HD23  LEU  60          2HD2      LEU  60   7.269   0.721  -7.475
  472    H    GLN  61           H        GLN  61   3.785   4.898  -5.018
  473    HA   GLN  61           HA       GLN  61   4.403   7.564  -4.647
  474    HB2  GLN  61           2HB      GLN  61   2.002   6.097  -3.538
  475    HB3  GLN  61           1HB      GLN  61   2.130   7.822  -3.774
  476    HG2  GLN  61           2HG      GLN  61   2.414   5.907  -5.989
  477    HG3  GLN  61           1HG      GLN  61   0.857   6.541  -5.504
  478   HE21  GLN  61          1HE2      GLN  61   0.600   7.480  -7.507
  479   HE22  GLN  61          2HE2      GLN  61   1.476   8.884  -7.979
  480    H    HIS  62           H        HIS  62   3.607   5.202  -2.106
  481    HA   HIS  62           HA       HIS  62   4.042   7.048   0.013
  482    HB2  HIS  62           2HB      HIS  62   2.910   4.772   0.247
  483    HB3  HIS  62           1HB      HIS  62   4.519   4.081   0.297
  484    HD1  HIS  62           1HD      HIS  62   5.564   3.994   2.554
  485    HD2  HIS  62           2HD      HIS  62   2.531   6.842   2.282
  486    HE1  HIS  62           1HE      HIS  62   5.347   5.003   4.807
  487    HE2  HIS  62           2HE      HIS  62   3.744   6.917   4.561
  488    H    ILE  63           H        ILE  63   6.173   4.780  -1.641
  489    HA   ILE  63           HA       ILE  63   8.491   5.119  -0.200
  490    HB   ILE  63           HB       ILE  63   8.093   4.870  -3.161
  491   HG12  ILE  63          2HG1      ILE  63   7.526   2.893  -1.983
  492   HG13  ILE  63          1HG1      ILE  63   9.118   2.641  -2.652
  493   HG21  ILE  63          1HG2      ILE  63  10.546   4.338  -3.264
  494   HG22  ILE  63          2HG2      ILE  63  10.691   5.038  -1.648
  495   HG23  ILE  63          3HG2      ILE  63  10.154   6.035  -3.000
  496   HD11  ILE  63          3HD1      ILE  63   8.588   3.424   0.176
  497   HD12  ILE  63          1HD1      ILE  63  10.151   3.029  -0.537
  498   HD13  ILE  63          2HD1      ILE  63   8.910   1.783  -0.384
  499    H    HIS  64           H        HIS  64   7.156   7.212  -2.723
  500    HA   HIS  64           HA       HIS  64   9.140   9.198  -2.737
  501    HB2  HIS  64           2HB      HIS  64   7.446   9.148  -4.453
  502    HB3  HIS  64           1HB      HIS  64   6.175   9.269  -3.278
  503    HD1  HIS  64           1HD      HIS  64   6.708  11.466  -1.744
  504    HD2  HIS  64           2HD      HIS  64   7.600  11.550  -5.763
  505    HE1  HIS  64           1HE      HIS  64   6.875  13.928  -2.333
  506    HE2  HIS  64           2HE      HIS  64   7.067  13.928  -4.867
  507    H    ARG  65           H        ARG  65   6.062   9.054  -1.057
  508    HA   ARG  65           HA       ARG  65   6.120  11.294   0.450
  509    HB2  ARG  65           2HB      ARG  65   5.121   8.646   1.120
  510    HB3  ARG  65           1HB      ARG  65   4.658  10.118   1.897
  511    HG2  ARG  65           2HG      ARG  65   4.050  10.944  -0.315
  512    HG3  ARG  65           1HG      ARG  65   4.245   9.313  -0.917
  513    HD2  ARG  65           2HD      ARG  65   1.992   9.649  -0.425
  514    HD3  ARG  65           1HD      ARG  65   2.671   8.571   0.778
  515    HE   ARG  65           HE       ARG  65   2.743  11.238   1.692
  516   HH11  ARG  65          1HH1      ARG  65   0.472   8.600   1.189
  517   HH12  ARG  65          2HH1      ARG  65  -0.574   9.111   2.479
  518   HH21  ARG  65          1HH2      ARG  65   1.359  11.901   3.375
  519   HH22  ARG  65          2HH2      ARG  65  -0.084  10.982   3.706
  520    H    LEU  66           H        LEU  66   7.396   8.168   1.289
  521    HA   LEU  66           HA       LEU  66   8.493   8.583   3.791
  522    HB2  LEU  66           2HB      LEU  66   9.363   6.901   1.474
  523    HB3  LEU  66           1HB      LEU  66  10.093   6.748   3.046
  524    HG   LEU  66           HG       LEU  66   7.196   6.406   2.436
  525   HD11  LEU  66          1HD1      LEU  66   9.328   4.350   2.953
  526   HD12  LEU  66          2HD1      LEU  66   8.514   4.642   1.415
  527   HD13  LEU  66          3HD1      LEU  66   7.603   4.020   2.792
  528   HD21  LEU  66          3HD2      LEU  66   8.806   5.857   4.905
  529   HD22  LEU  66          1HD2      LEU  66   7.095   5.487   4.699
  530   HD23  LEU  66          2HD2      LEU  66   7.647   7.163   4.691
  531    H    LYS  67           H        LYS  67  10.033   8.880   0.699
  532    HA   LYS  67           HA       LYS  67  12.547   9.807   1.601
  533    HB2  LYS  67           2HB      LYS  67  11.428  10.732  -1.017
  534    HB3  LYS  67           1HB      LYS  67  13.071  10.265  -0.637
  535    HG2  LYS  67           2HG      LYS  67  12.215   7.981  -0.335
  536    HG3  LYS  67           1HG      LYS  67  10.680   8.505  -0.954
  537    HD2  LYS  67           2HD      LYS  67  13.146   8.976  -2.545
  538    HD3  LYS  67           1HD      LYS  67  12.410   7.367  -2.465
  539    HE2  LYS  67           2HE      LYS  67  10.297   8.238  -3.244
  540    HE3  LYS  67           1HE      LYS  67  10.923   9.880  -3.237
  541    HZ1  LYS  67           3HZ      LYS  67  10.857   8.933  -5.460
  542    HZ2  LYS  67           1HZ      LYS  67  11.882   7.671  -4.979
  543    HZ3  LYS  67           2HZ      LYS  67  12.456   9.264  -5.005
  544    H    HIS  68           H        HIS  68   9.648  11.513   0.588
  545    HA   HIS  68           HA       HIS  68  10.268  13.861   1.910
  546    HB2  HIS  68           2HB      HIS  68  10.558  15.268  -0.139
  547    HB3  HIS  68           1HB      HIS  68  11.931  14.288   0.299
  548    HD1  HIS  68           1HD      HIS  68   9.729  12.048  -1.226
  549    HD2  HIS  68           2HD      HIS  68  12.235  15.039  -2.643
  550    HE1  HIS  68           1HE      HIS  68  10.164  11.482  -3.652
  551    HE2  HIS  68           2HE      HIS  68  11.750  13.268  -4.467
  552    H    GLU  69           H        GLU  69   8.196  13.837   2.605
  553    HA   GLU  69           HA       GLU  69   6.049  13.825   0.696
  554    HB2  GLU  69           2HB      GLU  69   6.357  13.291   3.455
  555    HB3  GLU  69           1HB      GLU  69   5.242  14.625   3.301
  556    HG2  GLU  69           2HG      GLU  69   3.897  13.317   1.735
  557    HG3  GLU  69           1HG      GLU  69   5.013  11.988   1.965
  Start of MODEL    5
    1    H    SER   5           H        SER   5 -19.409   0.719   0.244
    2    HA   SER   5           HA       SER   5 -18.006   1.450  -2.197
    3    HB2  SER   5           2HB      SER   5 -20.467   1.944  -1.787
    4    HB3  SER   5           1HB      SER   5 -19.942   3.149  -0.612
    5    HG   SER   5           HG       SER   5 -19.392   3.083  -3.396
    6    H    GLN   6           H        GLN   6 -18.203   2.442   1.200
    7    HA   GLN   6           HA       GLN   6 -16.344   4.576   0.968
    8    HB2  GLN   6           2HB      GLN   6 -16.192   4.438   3.441
    9    HB3  GLN   6           1HB      GLN   6 -17.846   4.519   2.855
   10    HG2  GLN   6           2HG      GLN   6 -18.182   2.195   3.260
   11    HG3  GLN   6           1HG      GLN   6 -16.473   1.957   3.621
   12   HE21  GLN   6          1HE2      GLN   6 -19.489   3.290   4.755
   13   HE22  GLN   6          2HE2      GLN   6 -19.016   3.451   6.416
   14    H    GLN   7           H        GLN   7 -16.038   1.150   1.384
   15    HA   GLN   7           HA       GLN   7 -13.443   0.894   2.347
   16    HB2  GLN   7           2HB      GLN   7 -15.034  -0.953   2.009
   17    HB3  GLN   7           1HB      GLN   7 -14.747  -0.859   0.287
   18    HG2  GLN   7           2HG      GLN   7 -13.436  -2.597   1.172
   19    HG3  GLN   7           1HG      GLN   7 -12.380  -1.280   0.746
   20   HE21  GLN   7          1HE2      GLN   7 -11.846  -3.438   2.487
   21   HE22  GLN   7          2HE2      GLN   7 -11.509  -2.774   4.055
   22    H    ILE   8           H        ILE   8 -14.606   1.655  -0.854
   23    HA   ILE   8           HA       ILE   8 -12.290   1.190  -2.330
   24    HB   ILE   8           HB       ILE   8 -14.370   3.313  -2.828
   25   HG12  ILE   8          2HG1      ILE   8 -14.206   0.504  -3.832
   26   HG13  ILE   8          1HG1      ILE   8 -15.316   1.061  -2.597
   27   HG21  ILE   8          1HG2      ILE   8 -13.698   3.164  -5.176
   28   HG22  ILE   8          2HG2      ILE   8 -12.420   2.037  -4.728
   29   HG23  ILE   8          3HG2      ILE   8 -12.365   3.702  -4.154
   30   HD11  ILE   8          3HD1      ILE   8 -16.430   0.842  -4.737
   31   HD12  ILE   8          1HD1      ILE   8 -15.264   1.940  -5.477
   32   HD13  ILE   8          2HD1      ILE   8 -16.374   2.533  -4.242
   33    H    ALA   9           H        ALA   9 -12.995   3.658  -0.068
   34    HA   ALA   9           HA       ALA   9 -10.636   5.205  -0.866
   35    HB1  ALA   9           1HB      ALA   9 -12.793   5.935   1.103
   36    HB2  ALA   9           2HB      ALA   9 -12.715   6.471  -0.575
   37    HB3  ALA   9           3HB      ALA   9 -11.472   6.977   0.568
   38    H    THR  10           H        THR  10 -12.144   3.903   2.026
   39    HA   THR  10           HA       THR  10 -10.037   4.416   3.793
   40    HB   THR  10           HB       THR  10 -11.213   2.791   5.291
   41    HG1  THR  10           1HG      THR  10 -12.339   1.395   4.077
   42   HG21  THR  10          3HG2      THR  10 -11.734   5.176   5.310
   43   HG22  THR  10          1HG2      THR  10 -13.191   4.218   5.572
   44   HG23  THR  10          2HG2      THR  10 -12.885   4.944   3.993
   45    H    ALA  11           H        ALA  11 -10.638   1.638   1.705
   46    HA   ALA  11           HA       ALA  11  -8.775  -0.091   2.989
   47    HB1  ALA  11           1HB      ALA  11  -8.822  -1.411   0.945
   48    HB2  ALA  11           2HB      ALA  11  -9.646  -0.100   0.102
   49    HB3  ALA  11           3HB      ALA  11 -10.456  -0.946   1.420
   50    H    LYS  12           H        LYS  12  -8.535   2.166   0.268
   51    HA   LYS  12           HA       LYS  12  -5.772   1.743  -0.209
   52    HB2  LYS  12           2HB      LYS  12  -7.206   2.826  -1.873
   53    HB3  LYS  12           1HB      LYS  12  -7.478   4.175  -0.784
   54    HG2  LYS  12           2HG      LYS  12  -5.238   4.897  -0.951
   55    HG3  LYS  12           1HG      LYS  12  -4.741   3.401  -1.746
   56    HD2  LYS  12           2HD      LYS  12  -6.056   3.980  -3.700
   57    HD3  LYS  12           1HD      LYS  12  -6.632   5.446  -2.904
   58    HE2  LYS  12           2HE      LYS  12  -3.716   4.877  -3.390
   59    HE3  LYS  12           1HE      LYS  12  -4.717   5.744  -4.542
   60    HZ1  LYS  12           3HZ      LYS  12  -3.993   6.566  -1.781
   61    HZ2  LYS  12           1HZ      LYS  12  -5.240   7.315  -2.664
   62    HZ3  LYS  12           2HZ      LYS  12  -3.653   7.362  -3.241
   63    H    ASP  13           H        ASP  13  -7.593   4.085   1.633
   64    HA   ASP  13           HA       ASP  13  -5.627   5.676   2.734
   65    HB2  ASP  13           2HB      ASP  13  -8.076   5.982   3.072
   66    HB3  ASP  13           1HB      ASP  13  -8.106   4.537   4.071
   67    H    LYS  14           H        LYS  14  -6.960   2.701   4.208
   68    HA   LYS  14           HA       LYS  14  -5.035   2.660   6.271
   69    HB2  LYS  14           2HB      LYS  14  -7.390   1.481   6.018
   70    HB3  LYS  14           1HB      LYS  14  -6.407   0.158   5.409
   71    HG2  LYS  14           2HG      LYS  14  -5.281  -0.100   7.435
   72    HG3  LYS  14           1HG      LYS  14  -5.785   1.486   8.012
   73    HD2  LYS  14           2HD      LYS  14  -7.736  -0.733   7.462
   74    HD3  LYS  14           1HD      LYS  14  -6.955  -0.530   9.028
   75    HE2  LYS  14           2HE      LYS  14  -9.096   0.520   9.146
   76    HE3  LYS  14           1HE      LYS  14  -7.882   1.794   9.103
   77    HZ1  LYS  14           3HZ      LYS  14  -9.833   2.216   7.670
   78    HZ2  LYS  14           1HZ      LYS  14  -9.416   0.866   6.729
   79    HZ3  LYS  14           2HZ      LYS  14  -8.375   2.202   6.812
   80    H    TYR  15           H        TYR  15  -5.269   1.029   3.127
   81    HA   TYR  15           HA       TYR  15  -3.040  -0.635   3.333
   82    HB2  TYR  15           2HB      TYR  15  -4.563  -0.799   1.439
   83    HB3  TYR  15           1HB      TYR  15  -4.089   0.807   0.890
   84    HD1  TYR  15           1HD      TYR  15  -2.796  -2.611   1.495
   85    HD2  TYR  15           2HD      TYR  15  -2.224   1.090  -0.549
   86    HE1  TYR  15           1HE      TYR  15  -0.972  -3.612   0.194
   87    HE2  TYR  15           2HE      TYR  15  -0.401   0.085  -1.853
   88    HH   TYR  15           HH       TYR  15   0.193  -3.265  -1.902
   89    H    GLU  16           H        GLU  16  -3.267   2.754   2.355
   90    HA   GLU  16           HA       GLU  16  -0.617   3.184   1.754
   91    HB2  GLU  16           2HB      GLU  16  -3.043   4.691   2.341
   92    HB3  GLU  16           1HB      GLU  16  -1.582   5.564   2.712
   93    HG2  GLU  16           2HG      GLU  16  -0.814   4.871   0.376
   94    HG3  GLU  16           1HG      GLU  16  -2.488   4.441   0.100
   95    H    TRP  17           H        TRP  17  -2.321   3.219   4.914
   96    HA   TRP  17           HA       TRP  17   0.070   3.886   6.336
   97    HB2  TRP  17           2HB      TRP  17  -1.774   4.162   7.723
   98    HB3  TRP  17           1HB      TRP  17  -2.528   2.697   7.163
   99    HD1  TRP  17           HD       TRP  17   0.699   3.441   9.070
  100    HE1  TRP  17           1HE      TRP  17   0.938   1.738  10.969
  101    HE3  TRP  17           3HE      TRP  17  -3.304   0.774   8.022
  102    HZ2  TRP  17           2HZ      TRP  17  -0.527  -0.504  11.902
  103    HZ3  TRP  17           3HZ      TRP  17  -3.903  -1.175   9.436
  104    HH2  TRP  17           HH       TRP  17  -2.498  -1.789  11.330
  105    H    LEU  18           H        LEU  18  -1.479   0.879   5.310
  106    HA   LEU  18           HA       LEU  18   0.031  -0.873   6.774
  107    HB2  LEU  18           2HB      LEU  18  -1.315  -1.044   4.112
  108    HB3  LEU  18           1HB      LEU  18  -0.139  -2.287   4.455
  109    HG   LEU  18           HG       LEU  18  -2.520  -2.920   4.922
  110   HD11  LEU  18          1HD1      LEU  18  -0.663  -4.111   5.945
  111   HD12  LEU  18          2HD1      LEU  18  -2.015  -3.986   7.072
  112   HD13  LEU  18          3HD1      LEU  18  -0.610  -2.937   7.260
  113   HD21  LEU  18          3HD2      LEU  18  -3.299  -0.798   5.792
  114   HD22  LEU  18          1HD2      LEU  18  -2.222  -0.952   7.179
  115   HD23  LEU  18          2HD2      LEU  18  -3.549  -2.094   6.964
  116    H    VAL  19           H        VAL  19   0.725   0.453   3.543
  117    HA   VAL  19           HA       VAL  19   3.311  -0.533   3.216
  118    HB   VAL  19           HB       VAL  19   2.128   2.065   2.216
  119   HG11  VAL  19          1HG1      VAL  19   4.050   2.200   0.698
  120   HG12  VAL  19          2HG1      VAL  19   4.777   0.806   1.494
  121   HG13  VAL  19          3HG1      VAL  19   4.560   2.314   2.383
  122   HG21  VAL  19          3HG2      VAL  19   1.974   0.939   0.124
  123   HG22  VAL  19          1HG2      VAL  19   1.248  -0.110   1.347
  124   HG23  VAL  19          2HG2      VAL  19   2.877  -0.445   0.747
  125    H    SER  20           H        SER  20   2.297   2.478   4.890
  126    HA   SER  20           HA       SER  20   4.992   3.188   5.496
  127    HB2  SER  20           2HB      SER  20   3.994   4.810   7.087
  128    HB3  SER  20           1HB      SER  20   3.300   4.904   5.473
  129    HG   SER  20           HG       SER  20   1.935   3.163   7.028
  130    H    ARG  21           H        ARG  21   2.747   1.018   6.949
  131    HA   ARG  21           HA       ARG  21   4.006   0.997   9.477
  132    HB2  ARG  21           2HB      ARG  21   2.188  -0.119  10.159
  133    HB3  ARG  21           1HB      ARG  21   1.497   0.375   8.628
  134    HG2  ARG  21           2HG      ARG  21   2.062  -1.652   7.669
  135    HG3  ARG  21           1HG      ARG  21   2.988  -2.153   9.051
  136    HD2  ARG  21           2HD      ARG  21   0.892  -2.004  10.404
  137    HD3  ARG  21           1HD      ARG  21   0.018  -1.741   8.901
  138    HE   ARG  21           HE       ARG  21   1.256  -4.063   8.404
  139   HH11  ARG  21          1HH1      ARG  21  -0.405  -2.979  11.272
  140   HH12  ARG  21          2HH1      ARG  21  -1.144  -4.516  11.599
  141   HH21  ARG  21          1HH2      ARG  21   0.320  -6.123   8.841
  142   HH22  ARG  21          2HH2      ARG  21  -0.720  -6.310  10.225
  143    H    ILE  22           H        ILE  22   4.467  -0.442   6.494
  144    HA   ILE  22           HA       ILE  22   6.271  -2.490   7.599
  145    HB   ILE  22           HB       ILE  22   5.183  -2.197   4.803
  146   HG12  ILE  22          2HG1      ILE  22   3.494  -2.906   6.415
  147   HG13  ILE  22          1HG1      ILE  22   3.929  -4.224   5.346
  148   HG21  ILE  22          1HG2      ILE  22   6.860  -4.413   5.976
  149   HG22  ILE  22          2HG2      ILE  22   7.433  -3.186   4.848
  150   HG23  ILE  22          3HG2      ILE  22   6.205  -4.347   4.340
  151   HD11  ILE  22          3HD1      ILE  22   5.322  -5.196   7.072
  152   HD12  ILE  22          1HD1      ILE  22   3.661  -4.987   7.622
  153   HD13  ILE  22          2HD1      ILE  22   4.913  -3.863   8.152
  154    H    VAL  23           H        VAL  23   6.198  -0.571   4.634
  155    HA   VAL  23           HA       VAL  23   9.015  -0.291   4.406
  156    HB   VAL  23           HB       VAL  23   6.764   1.222   3.070
  157   HG11  VAL  23          1HG1      VAL  23   9.652   0.812   2.263
  158   HG12  VAL  23          2HG1      VAL  23   8.950   2.318   2.854
  159   HG13  VAL  23          3HG1      VAL  23   8.425   1.645   1.309
  160   HG21  VAL  23          3HG2      VAL  23   7.075  -0.411   1.251
  161   HG22  VAL  23          1HG2      VAL  23   6.513  -1.154   2.748
  162   HG23  VAL  23          2HG2      VAL  23   8.205  -1.303   2.270
  163    H    LYS  24           H        LYS  24  10.250   0.964   5.583
  164    HA   LYS  24           HA       LYS  24   9.116   3.376   6.840
  165    HB2  LYS  24           2HB      LYS  24  10.086   1.378   8.186
  166    HB3  LYS  24           1HB      LYS  24  11.620   2.045   7.692
  167    HG2  LYS  24           2HG      LYS  24  10.984   2.781   9.861
  168    HG3  LYS  24           1HG      LYS  24  11.163   4.115   8.737
  169    HD2  LYS  24           2HD      LYS  24   8.718   3.996   8.373
  170    HD3  LYS  24           1HD      LYS  24   8.620   2.849   9.709
  171    HE2  LYS  24           2HE      LYS  24   9.451   4.428  11.254
  172    HE3  LYS  24           1HE      LYS  24   9.930   5.522   9.959
  173    HZ1  LYS  24           3HZ      LYS  24   7.658   6.016   9.500
  174    HZ2  LYS  24           1HZ      LYS  24   7.877   6.175  11.174
  175    HZ3  LYS  24           2HZ      LYS  24   7.106   4.803  10.547
  176    H    ASN  25           H        ASN  25  12.257   2.145   5.707
  177    HA   ASN  25           HA       ASN  25  13.149   4.881   5.207
  178    HB2  ASN  25           2HB      ASN  25  15.379   3.952   5.005
  179    HB3  ASN  25           1HB      ASN  25  14.616   3.300   6.449
  180   HD21  ASN  25          1HD2      ASN  25  14.087   1.135   6.520
  181   HD22  ASN  25          2HD2      ASN  25  14.659   0.009   5.337
  182    H    HIS  26           H        HIS  26  11.402   2.922   3.448
  183    HA   HIS  26           HA       HIS  26  10.780   2.799   1.313
  184    HB2  HIS  26           2HB      HIS  26  11.109   4.587  -0.138
  185    HB3  HIS  26           1HB      HIS  26  11.185   5.300   1.432
  186    HD1  HIS  26           1HD      HIS  26  12.680   7.160   1.236
  187    HD2  HIS  26           2HD      HIS  26  14.179   3.884  -0.791
  188    HE1  HIS  26           1HE      HIS  26  15.029   7.794   0.580
  189    HE2  HIS  26           2HE      HIS  26  15.951   5.769  -0.589
  190    H    ASN  27           H        ASN  27  14.019   2.179   2.068
  191    HA   ASN  27           HA       ASN  27  14.799   1.550  -0.644
  192    HB2  ASN  27           2HB      ASN  27  16.150   1.683   1.974
  193    HB3  ASN  27           1HB      ASN  27  16.788   0.499   0.856
  194   HD21  ASN  27          1HD2      ASN  27  16.350   3.878   1.475
  195   HD22  ASN  27          2HD2      ASN  27  17.424   4.383   0.228
  196    H    GLU  28           H        GLU  28  12.575   0.183   0.753
  197    HA   GLU  28           HA       GLU  28  13.318  -2.591   0.829
  198    HB2  GLU  28           2HB      GLU  28  10.718  -1.078   0.979
  199    HB3  GLU  28           1HB      GLU  28  10.749  -2.829   0.861
  200    HG2  GLU  28           2HG      GLU  28  10.480  -2.037   3.157
  201    HG3  GLU  28           1HG      GLU  28  11.938  -2.995   2.938
  202    H    ASN  29           H        ASN  29  11.909  -4.096  -0.532
  203    HA   ASN  29           HA       ASN  29  11.633  -3.049  -3.266
  204    HB2  ASN  29           2HB      ASN  29  12.756  -5.666  -2.308
  205    HB3  ASN  29           1HB      ASN  29  12.073  -5.519  -3.925
  206   HD21  ASN  29          1HD2      ASN  29  14.674  -4.622  -1.812
  207   HD22  ASN  29          2HD2      ASN  29  15.687  -3.919  -3.034
  208    H    TRP  30           H        TRP  30   9.680  -3.177  -4.088
  209    HA   TRP  30           HA       TRP  30   7.429  -3.446  -2.638
  210    HB2  TRP  30           2HB      TRP  30   7.128  -2.470  -4.703
  211    HB3  TRP  30           1HB      TRP  30   7.889  -3.785  -5.562
  212    HD1  TRP  30           HD       TRP  30   6.302  -5.196  -6.771
  213    HE1  TRP  30           1HE      TRP  30   3.812  -5.881  -6.575
  214    HE3  TRP  30           3HE      TRP  30   5.232  -2.760  -2.470
  215    HZ2  TRP  30           2HZ      TRP  30   1.680  -5.410  -4.762
  216    HZ3  TRP  30           3HZ      TRP  30   2.974  -2.903  -1.559
  217    HH2  TRP  30           HH       TRP  30   1.226  -4.212  -2.665
  218    H    LEU  31           H        LEU  31   8.736  -6.134  -4.571
  219    HA   LEU  31           HA       LEU  31   6.507  -7.765  -4.292
  220    HB2  LEU  31           2HB      LEU  31   9.393  -8.342  -4.821
  221    HB3  LEU  31           1HB      LEU  31   8.148  -9.573  -4.876
  222    HG   LEU  31           HG       LEU  31   8.581  -8.836  -7.062
  223   HD11  LEU  31          1HD1      LEU  31   6.283  -9.363  -6.603
  224   HD12  LEU  31          2HD1      LEU  31   6.383  -8.076  -7.804
  225   HD13  LEU  31          3HD1      LEU  31   5.989  -7.690  -6.129
  226   HD21  LEU  31          3HD2      LEU  31   8.380  -6.600  -7.889
  227   HD22  LEU  31          1HD2      LEU  31   9.564  -6.651  -6.585
  228   HD23  LEU  31          2HD2      LEU  31   7.940  -6.029  -6.282
  229    H    SER  32           H        SER  32   9.542  -7.754  -2.516
  230    HA   SER  32           HA       SER  32   8.773  -9.682  -0.612
  231    HB2  SER  32           2HB      SER  32  10.816  -7.596  -0.091
  232    HB3  SER  32           1HB      SER  32  10.806  -9.261   0.433
  233    HG   SER  32           HG       SER  32  11.934  -9.676  -1.277
  234    H    VAL  33           H        VAL  33   8.340  -6.138  -0.631
  235    HA   VAL  33           HA       VAL  33   7.555  -6.183   2.124
  236    HB   VAL  33           HB       VAL  33   6.471  -3.852   1.330
  237   HG11  VAL  33          1HG1      VAL  33   8.267  -4.306   3.033
  238   HG12  VAL  33          2HG1      VAL  33   8.456  -2.800   2.137
  239   HG13  VAL  33          3HG1      VAL  33   9.437  -4.204   1.718
  240   HG21  VAL  33          3HG2      VAL  33   7.804  -2.796  -0.325
  241   HG22  VAL  33          1HG2      VAL  33   7.029  -4.231  -0.991
  242   HG23  VAL  33          2HG2      VAL  33   8.738  -4.275  -0.556
  243    H    SER  34           H        SER  34   5.991  -6.478  -0.963
  244    HA   SER  34           HA       SER  34   3.323  -6.651   0.013
  245    HB2  SER  34           2HB      SER  34   3.367  -6.410  -2.289
  246    HB3  SER  34           1HB      SER  34   4.818  -7.390  -2.468
  247    HG   SER  34           HG       SER  34   2.138  -8.245  -2.116
  248    H    ARG  35           H        ARG  35   5.928  -8.941  -0.538
  249    HA   ARG  35           HA       ARG  35   4.878 -11.358   0.198
  250    HB2  ARG  35           2HB      ARG  35   7.233 -10.609  -0.487
  251    HB3  ARG  35           1HB      ARG  35   7.504 -10.348   1.219
  252    HG2  ARG  35           2HG      ARG  35   8.314 -12.413   0.719
  253    HG3  ARG  35           1HG      ARG  35   6.794 -12.682   1.511
  254    HD2  ARG  35           2HD      ARG  35   5.798 -12.763  -0.828
  255    HD3  ARG  35           1HD      ARG  35   7.455 -12.958  -1.381
  256    HE   ARG  35           HE       ARG  35   7.319 -14.909   0.406
  257   HH11  ARG  35          1HH1      ARG  35   4.826 -13.989  -1.891
  258   HH12  ARG  35          2HH1      ARG  35   4.443 -15.634  -2.315
  259   HH21  ARG  35          1HH2      ARG  35   6.783 -17.058  -0.129
  260   HH22  ARG  35          2HH2      ARG  35   5.531 -17.365  -1.287
  261    H    LYS  36           H        LYS  36   6.438  -9.028   2.296
  262    HA   LYS  36           HA       LYS  36   5.707  -9.924   4.802
  263    HB2  LYS  36           2HB      LYS  36   6.038  -7.126   3.727
  264    HB3  LYS  36           1HB      LYS  36   6.008  -7.537   5.421
  265    HG2  LYS  36           2HG      LYS  36   7.920  -9.005   5.003
  266    HG3  LYS  36           1HG      LYS  36   8.046  -8.354   3.403
  267    HD2  LYS  36           2HD      LYS  36   8.384  -6.189   4.296
  268    HD3  LYS  36           1HD      LYS  36   8.212  -6.787   5.940
  269    HE2  LYS  36           2HE      LYS  36  10.551  -6.497   5.230
  270    HE3  LYS  36           1HE      LYS  36  10.176  -8.144   5.698
  271    HZ1  LYS  36           3HZ      LYS  36   9.933  -8.643   3.296
  272    HZ2  LYS  36           1HZ      LYS  36  11.502  -8.169   3.737
  273    HZ3  LYS  36           2HZ      LYS  36  10.485  -7.075   2.945
  274    H    MET  37           H        MET  37   4.261  -7.295   3.063
  275    HA   MET  37           HA       MET  37   2.144  -6.746   4.738
  276    HB2  MET  37           2HB      MET  37   2.766  -6.107   1.922
  277    HB3  MET  37           1HB      MET  37   1.112  -5.829   2.441
  278    HG2  MET  37           2HG      MET  37   2.124  -4.539   4.397
  279    HG3  MET  37           1HG      MET  37   3.634  -4.620   3.500
  280    HE1  MET  37           3HE      MET  37   2.863  -2.566   0.284
  281    HE2  MET  37           1HE      MET  37   2.865  -4.314   0.520
  282    HE3  MET  37           2HE      MET  37   4.129  -3.322   1.251
  283    H    GLN  38           H        GLN  38   2.209  -9.352   2.396
  284    HA   GLN  38           HA       GLN  38  -0.527  -9.474   1.845
  285    HB2  GLN  38           2HB      GLN  38  -0.166 -11.758   1.148
  286    HB3  GLN  38           1HB      GLN  38   1.104 -10.721   0.547
  287    HG2  GLN  38           2HG      GLN  38   2.285 -12.560   1.216
  288    HG3  GLN  38           1HG      GLN  38   2.391 -11.541   2.635
  289   HE21  GLN  38          1HE2      GLN  38  -0.514 -13.250   1.797
  290   HE22  GLN  38          2HE2      GLN  38  -0.435 -14.362   3.113
  291    H    ALA  39           H        ALA  39   1.223 -10.438   4.629
  292    HA   ALA  39           HA       ALA  39  -0.849 -12.102   5.727
  293    HB1  ALA  39           1HB      ALA  39   1.568 -10.902   7.071
  294    HB2  ALA  39           2HB      ALA  39   1.526 -12.459   6.243
  295    HB3  ALA  39           3HB      ALA  39   0.559 -12.206   7.697
  296    H    SER  40           H        SER  40  -1.384  -9.193   5.019
  297    HA   SER  40           HA       SER  40  -2.617  -8.483   7.583
  298    HB2  SER  40           2HB      SER  40  -1.591  -6.493   5.553
  299    HB3  SER  40           1HB      SER  40  -2.180  -6.163   7.176
  300    HG   SER  40           HG       SER  40   0.012  -7.882   6.813
  301    HA   PRO  41           HA       PRO  41  -6.513  -8.840   5.499
  302    HB2  PRO  41           2HB      PRO  41  -7.628  -6.777   7.056
  303    HB3  PRO  41           1HB      PRO  41  -7.704  -8.497   7.370
  304    HG2  PRO  41           2HG      PRO  41  -5.906  -6.473   8.502
  305    HG3  PRO  41           1HG      PRO  41  -6.538  -7.945   9.234
  306    HD2  PRO  41           2HD      PRO  41  -3.993  -7.787   8.431
  307    HD3  PRO  41           1HD      PRO  41  -4.930  -9.287   8.240
  308    H    GLU  42           H        GLU  42  -5.241  -5.642   6.213
  309    HA   GLU  42           HA       GLU  42  -6.978  -4.354   4.403
  310    HB2  GLU  42           2HB      GLU  42  -4.416  -3.300   5.568
  311    HB3  GLU  42           1HB      GLU  42  -5.678  -2.340   4.809
  312    HG2  GLU  42           2HG      GLU  42  -5.847  -3.884   7.379
  313    HG3  GLU  42           1HG      GLU  42  -5.906  -2.135   7.162
  314    H    TYR  43           H        TYR  43  -3.653  -5.447   4.117
  315    HA   TYR  43           HA       TYR  43  -3.121  -4.466   1.552
  316    HB2  TYR  43           2HB      TYR  43  -1.303  -5.403   2.768
  317    HB3  TYR  43           1HB      TYR  43  -2.163  -6.915   3.034
  318    HD1  TYR  43           2HD      TYR  43  -2.293  -8.590   1.301
  319    HD2  TYR  43           1HD      TYR  43  -0.171  -4.967   0.646
  320    HE1  TYR  43           2HE      TYR  43  -1.224  -9.594  -0.669
  321    HE2  TYR  43           1HE      TYR  43   0.896  -5.951  -1.342
  322    HH   TYR  43           HH       TYR  43  -0.180  -8.863  -2.747
  323    H    GLN  44           H        GLN  44  -4.570  -7.506   2.626
  324    HA   GLN  44           HA       GLN  44  -4.969  -8.775   0.187
  325    HB2  GLN  44           2HB      GLN  44  -6.845  -8.802   2.548
  326    HB3  GLN  44           1HB      GLN  44  -6.731 -10.023   1.290
  327    HG2  GLN  44           2HG      GLN  44  -4.317  -9.400   2.888
  328    HG3  GLN  44           1HG      GLN  44  -5.621 -10.326   3.620
  329   HE21  GLN  44          1HE2      GLN  44  -3.159 -10.286   1.181
  330   HE22  GLN  44          2HE2      GLN  44  -3.204 -11.973   0.809
  331    H    ASP  45           H        ASP  45  -7.372  -7.024   2.061
  332    HA   ASP  45           HA       ASP  45  -9.463  -7.153   0.275
  333    HB2  ASP  45           2HB      ASP  45  -9.328  -6.280   2.736
  334    HB3  ASP  45           1HB      ASP  45  -9.139  -4.708   1.965
  335    H    TYR  46           H        TYR  46  -7.098  -4.529   0.551
  336    HA   TYR  46           HA       TYR  46  -8.269  -2.945  -1.492
  337    HB2  TYR  46           2HB      TYR  46  -6.854  -1.886   0.153
  338    HB3  TYR  46           1HB      TYR  46  -5.489  -2.887  -0.333
  339    HD1  TYR  46           2HD      TYR  46  -7.853  -0.332  -1.656
  340    HD2  TYR  46           1HD      TYR  46  -3.995  -2.101  -1.953
  341    HE1  TYR  46           2HE      TYR  46  -7.205   1.370  -3.304
  342    HE2  TYR  46           1HE      TYR  46  -3.338  -0.404  -3.606
  343    HH   TYR  46           HH       TYR  46  -4.434   1.119  -5.222
  344    H    VAL  47           H        VAL  47  -5.700  -5.337  -1.537
  345    HA   VAL  47           HA       VAL  47  -5.058  -4.733  -4.235
  346    HB   VAL  47           HB       VAL  47  -4.280  -7.025  -2.448
  347   HG11  VAL  47          1HG1      VAL  47  -4.344  -7.900  -4.714
  348   HG12  VAL  47          2HG1      VAL  47  -2.678  -7.723  -4.168
  349   HG13  VAL  47          3HG1      VAL  47  -3.370  -6.541  -5.281
  350   HG21  VAL  47          3HG2      VAL  47  -3.277  -4.881  -1.919
  351   HG22  VAL  47          1HG2      VAL  47  -2.730  -4.703  -3.587
  352   HG23  VAL  47          2HG2      VAL  47  -2.060  -5.979  -2.571
  353    H    TYR  48           H        TYR  48  -7.312  -6.781  -2.648
  354    HA   TYR  48           HA       TYR  48  -8.030  -8.467  -4.797
  355    HB2  TYR  48           2HB      TYR  48  -8.796  -9.158  -2.733
  356    HB3  TYR  48           1HB      TYR  48  -9.223  -7.539  -2.223
  357    HD1  TYR  48           2HD      TYR  48 -10.298 -10.399  -4.283
  358    HD2  TYR  48           1HD      TYR  48 -11.339  -6.667  -2.565
  359    HE1  TYR  48           2HE      TYR  48 -12.673 -10.846  -4.799
  360    HE2  TYR  48           1HE      TYR  48 -13.729  -7.092  -3.058
  361    HH   TYR  48           HH       TYR  48 -15.083  -8.443  -4.586
  362    H    LEU  49           H        LEU  49  -9.409  -5.488  -3.508
  363    HA   LEU  49           HA       LEU  49 -11.418  -4.991  -5.357
  364    HB2  LEU  49           2HB      LEU  49  -9.648  -2.899  -4.112
  365    HB3  LEU  49           1HB      LEU  49 -11.263  -2.658  -4.730
  366    HG   LEU  49           HG       LEU  49 -10.524  -4.325  -2.361
  367   HD11  LEU  49          1HD1      LEU  49 -10.171  -1.942  -1.968
  368   HD12  LEU  49          2HD1      LEU  49 -11.558  -2.531  -1.050
  369   HD13  LEU  49          3HD1      LEU  49 -11.807  -1.601  -2.529
  370   HD21  LEU  49          3HD2      LEU  49 -12.918  -4.445  -1.970
  371   HD22  LEU  49          1HD2      LEU  49 -12.524  -5.085  -3.568
  372   HD23  LEU  49          2HD2      LEU  49 -13.212  -3.468  -3.414
  373    H    GLU  50           H        GLU  50  -8.310  -3.362  -5.269
  374    HA   GLU  50           HA       GLU  50  -8.781  -2.366  -7.929
  375    HB2  GLU  50           2HB      GLU  50  -8.299  -0.782  -6.267
  376    HB3  GLU  50           1HB      GLU  50  -6.965  -1.733  -5.631
  377    HG2  GLU  50           2HG      GLU  50  -5.921  -0.084  -6.724
  378    HG3  GLU  50           1HG      GLU  50  -5.928  -1.374  -7.909
  379    H    GLY  51           H        GLY  51  -5.976  -3.791  -6.189
  380    HA2  GLY  51           2HA      GLY  51  -5.163  -5.821  -7.601
  381    HA3  GLY  51           1HA      GLY  51  -4.873  -4.565  -8.794
  382    H    THR  52           H        THR  52  -2.753  -5.992  -8.172
  383    HA   THR  52           HA       THR  52  -1.295  -4.896  -5.938
  384    HB   THR  52           HB       THR  52   0.555  -6.265  -7.435
  385    HG1  THR  52           1HG      THR  52  -1.093  -8.247  -7.726
  386   HG21  THR  52          3HG2      THR  52   0.117  -6.535  -5.034
  387   HG22  THR  52          1HG2      THR  52   0.216  -8.092  -5.857
  388   HG23  THR  52          2HG2      THR  52  -1.354  -7.431  -5.410
  389    H    GLN  53           H        GLN  53  -1.739  -4.018  -9.207
  390    HA   GLN  53           HA       GLN  53   0.927  -3.139  -9.736
  391    HB2  GLN  53           2HB      GLN  53  -1.624  -2.413 -11.170
  392    HB3  GLN  53           1HB      GLN  53   0.006  -2.226 -11.796
  393    HG2  GLN  53           2HG      GLN  53   0.257  -4.666 -11.566
  394    HG3  GLN  53           1HG      GLN  53  -1.443  -4.773 -11.175
  395   HE21  GLN  53          1HE2      GLN  53   0.075  -5.898 -13.409
  396   HE22  GLN  53          2HE2      GLN  53  -0.719  -5.334 -14.838
  397    H    LYS  54           H        LYS  54  -2.104  -1.386  -9.217
  398    HA   LYS  54           HA       LYS  54  -0.855   1.155  -8.860
  399    HB2  LYS  54           2HB      LYS  54  -3.493   0.254  -7.880
  400    HB3  LYS  54           1HB      LYS  54  -2.970   1.902  -8.048
  401    HG2  LYS  54           2HG      LYS  54  -2.662   1.422 -10.463
  402    HG3  LYS  54           1HG      LYS  54  -3.530  -0.067 -10.163
  403    HD2  LYS  54           2HD      LYS  54  -5.359   1.286  -9.147
  404    HD3  LYS  54           1HD      LYS  54  -4.511   2.719  -9.717
  405    HE2  LYS  54           2HE      LYS  54  -4.812   2.078 -11.994
  406    HE3  LYS  54           1HE      LYS  54  -5.422   0.490 -11.521
  407    HZ1  LYS  54           3HZ      LYS  54  -6.748   3.115 -11.083
  408    HZ2  LYS  54           1HZ      LYS  54  -7.295   1.646 -10.427
  409    HZ3  LYS  54           2HZ      LYS  54  -7.264   1.859 -12.106
  410    H    ALA  55           H        ALA  55  -1.441  -1.521  -6.819
  411    HA   ALA  55           HA       ALA  55  -0.993  -0.170  -4.316
  412    HB1  ALA  55           1HB      ALA  55  -0.739  -2.416  -3.393
  413    HB2  ALA  55           2HB      ALA  55  -0.661  -3.098  -5.017
  414    HB3  ALA  55           3HB      ALA  55  -2.149  -2.341  -4.450
  415    H    LYS  56           H        LYS  56   1.062  -2.050  -6.567
  416    HA   LYS  56           HA       LYS  56   3.487  -1.598  -5.290
  417    HB2  LYS  56           2HB      LYS  56   3.154  -3.189  -7.112
  418    HB3  LYS  56           1HB      LYS  56   2.844  -1.881  -8.234
  419    HG2  LYS  56           2HG      LYS  56   5.085  -1.084  -7.998
  420    HG3  LYS  56           1HG      LYS  56   5.377  -2.298  -6.750
  421    HD2  LYS  56           2HD      LYS  56   4.934  -4.065  -8.373
  422    HD3  LYS  56           1HD      LYS  56   4.672  -2.864  -9.616
  423    HE2  LYS  56           2HE      LYS  56   7.249  -3.330  -8.133
  424    HE3  LYS  56           1HE      LYS  56   6.909  -3.795  -9.801
  425    HZ1  LYS  56           3HZ      LYS  56   7.159  -1.059  -8.697
  426    HZ2  LYS  56           1HZ      LYS  56   6.493  -1.373 -10.224
  427    HZ3  LYS  56           2HZ      LYS  56   8.103  -1.789  -9.899
  428    H    LYS  57           H        LYS  57   1.963   0.205  -7.977
  429    HA   LYS  57           HA       LYS  57   3.509   2.430  -8.133
  430    HB2  LYS  57           2HB      LYS  57   0.790   1.580  -8.669
  431    HB3  LYS  57           1HB      LYS  57   0.866   3.258  -8.298
  432    HG2  LYS  57           2HG      LYS  57   1.032   2.804 -10.686
  433    HG3  LYS  57           1HG      LYS  57   2.447   3.651 -10.052
  434    HD2  LYS  57           2HD      LYS  57   3.552   1.514  -9.792
  435    HD3  LYS  57           1HD      LYS  57   2.193   0.698 -10.542
  436    HE2  LYS  57           2HE      LYS  57   2.651   2.474 -12.384
  437    HE3  LYS  57           1HE      LYS  57   4.273   2.449 -11.724
  438    HZ1  LYS  57           3HZ      LYS  57   2.753   0.157 -12.847
  439    HZ2  LYS  57           1HZ      LYS  57   4.238   0.002 -12.040
  440    HZ3  LYS  57           2HZ      LYS  57   4.152   0.868 -13.491
  441    H    LEU  58           H        LEU  58   0.886   1.809  -5.843
  442    HA   LEU  58           HA       LEU  58   0.915   4.248  -4.467
  443    HB2  LEU  58           2HB      LEU  58  -0.821   2.390  -4.407
  444    HB3  LEU  58           1HB      LEU  58   0.254   1.532  -3.336
  445    HG   LEU  58           HG       LEU  58  -0.241   2.837  -1.564
  446   HD11  LEU  58          1HD1      LEU  58  -1.020   5.177  -1.697
  447   HD12  LEU  58          2HD1      LEU  58  -0.979   5.078  -3.457
  448   HD13  LEU  58          3HD1      LEU  58   0.518   4.956  -2.529
  449   HD21  LEU  58          3HD2      LEU  58  -2.614   3.260  -1.495
  450   HD22  LEU  58          1HD2      LEU  58  -2.309   1.785  -2.411
  451   HD23  LEU  58          2HD2      LEU  58  -2.692   3.288  -3.257
  452    H    PHE  59           H        PHE  59   2.533   1.173  -3.760
  453    HA   PHE  59           HA       PHE  59   4.083   1.910  -1.588
  454    HB2  PHE  59           2HB      PHE  59   4.105  -0.358  -2.144
  455    HB3  PHE  59           1HB      PHE  59   4.465  -0.058  -3.832
  456    HD1  PHE  59           1HD      PHE  59   5.941   0.216  -0.437
  457    HD2  PHE  59           2HD      PHE  59   6.674  -0.338  -4.607
  458    HE1  PHE  59           1HE      PHE  59   8.309  -0.265   0.032
  459    HE2  PHE  59           2HE      PHE  59   9.031  -0.811  -4.125
  460    HZ   PHE  59           HZ       PHE  59   9.851  -0.779  -1.808
  461    H    LEU  60           H        LEU  60   4.849   2.245  -5.039
  462    HA   LEU  60           HA       LEU  60   7.378   3.403  -4.854
  463    HB2  LEU  60           2HB      LEU  60   5.176   3.493  -6.850
  464    HB3  LEU  60           1HB      LEU  60   6.477   4.637  -7.024
  465    HG   LEU  60           HG       LEU  60   6.709   2.668  -8.400
  466   HD11  LEU  60          1HD1      LEU  60   9.037   2.198  -7.891
  467   HD12  LEU  60          2HD1      LEU  60   8.808   2.799  -6.249
  468   HD13  LEU  60          3HD1      LEU  60   8.696   3.909  -7.621
  469   HD21  LEU  60          3HD2      LEU  60   6.950   1.164  -5.817
  470   HD22  LEU  60          1HD2      LEU  60   7.346   0.513  -7.408
  471   HD23  LEU  60          2HD2      LEU  60   5.688   0.983  -7.035
  472    H    GLN  61           H        GLN  61   4.272   5.066  -5.182
  473    HA   GLN  61           HA       GLN  61   5.091   7.681  -4.902
  474    HB2  GLN  61           2HB      GLN  61   2.627   6.374  -3.795
  475    HB3  GLN  61           1HB      GLN  61   2.851   8.103  -4.017
  476    HG2  GLN  61           2HG      GLN  61   3.156   6.211  -6.294
  477    HG3  GLN  61           1HG      GLN  61   1.601   6.800  -5.772
  478   HE21  GLN  61          1HE2      GLN  61   1.264   7.768  -7.689
  479   HE22  GLN  61          2HE2      GLN  61   1.995   9.273  -8.055
  480    H    HIS  62           H        HIS  62   3.890   5.584  -2.338
  481    HA   HIS  62           HA       HIS  62   4.525   7.154  -0.126
  482    HB2  HIS  62           2HB      HIS  62   3.359   4.886  -0.058
  483    HB3  HIS  62           1HB      HIS  62   4.950   4.157  -0.163
  484    HD1  HIS  62           1HD      HIS  62   5.970   3.673   1.996
  485    HD2  HIS  62           2HD      HIS  62   3.197   6.748   2.246
  486    HE1  HIS  62           1HE      HIS  62   5.857   4.294   4.398
  487    HE2  HIS  62           2HE      HIS  62   4.350   6.306   4.516
  488    H    ILE  63           H        ILE  63   6.642   4.885  -1.840
  489    HA   ILE  63           HA       ILE  63   8.940   5.159  -0.349
  490    HB   ILE  63           HB       ILE  63   8.658   4.971  -3.327
  491   HG12  ILE  63          2HG1      ILE  63   7.877   2.994  -2.345
  492   HG13  ILE  63          1HG1      ILE  63   9.542   2.652  -2.746
  493   HG21  ILE  63          1HG2      ILE  63  11.084   4.209  -3.211
  494   HG22  ILE  63          2HG2      ILE  63  11.132   4.982  -1.623
  495   HG23  ILE  63          3HG2      ILE  63  10.779   5.937  -3.060
  496   HD11  ILE  63          3HD1      ILE  63   8.943   1.783  -0.567
  497   HD12  ILE  63          1HD1      ILE  63   8.567   3.420  -0.031
  498   HD13  ILE  63          2HD1      ILE  63  10.221   2.993  -0.468
  499    H    HIS  64           H        HIS  64   7.732   7.270  -2.898
  500    HA   HIS  64           HA       HIS  64   9.858   9.127  -2.919
  501    HB2  HIS  64           2HB      HIS  64   8.329   9.164  -4.730
  502    HB3  HIS  64           1HB      HIS  64   6.959   9.271  -3.673
  503    HD1  HIS  64           1HD      HIS  64   7.394  11.510  -2.080
  504    HD2  HIS  64           2HD      HIS  64   8.533  11.542  -6.047
  505    HE1  HIS  64           1HE      HIS  64   7.524  13.966  -2.725
  506    HE2  HIS  64           2HE      HIS  64   8.262  13.959  -5.143
  507    H    ARG  65           H        ARG  65   6.704   9.254  -1.325
  508    HA   ARG  65           HA       ARG  65   6.902  11.528   0.092
  509    HB2  ARG  65           2HB      ARG  65   5.746   8.922   0.702
  510    HB3  ARG  65           1HB      ARG  65   5.401  10.330   1.617
  511    HG2  ARG  65           2HG      ARG  65   4.148  11.182   0.064
  512    HG3  ARG  65           1HG      ARG  65   5.104  10.563  -1.260
  513    HD2  ARG  65           2HD      ARG  65   4.149   8.507  -1.132
  514    HD3  ARG  65           1HD      ARG  65   3.577   8.753   0.495
  515    HE   ARG  65           HE       ARG  65   2.382  10.268  -1.725
  516   HH11  ARG  65          1HH1      ARG  65   2.058   7.978   0.909
  517   HH12  ARG  65          2HH1      ARG  65   0.333   7.825   0.743
  518   HH21  ARG  65          1HH2      ARG  65   0.092  10.130  -1.889
  519   HH22  ARG  65          2HH2      ARG  65  -0.776   9.059  -0.822
  520    H    LEU  66           H        LEU  66   7.801   8.351   1.180
  521    HA   LEU  66           HA       LEU  66   8.999   8.716   3.599
  522    HB2  LEU  66           2HB      LEU  66   9.830   6.961   1.320
  523    HB3  LEU  66           1HB      LEU  66  10.465   6.776   2.923
  524    HG   LEU  66           HG       LEU  66   7.601   6.569   2.133
  525   HD11  LEU  66          1HD1      LEU  66   9.624   4.457   2.847
  526   HD12  LEU  66          2HD1      LEU  66   8.834   4.682   1.286
  527   HD13  LEU  66          3HD1      LEU  66   7.894   4.169   2.686
  528   HD21  LEU  66          3HD2      LEU  66   7.279   5.760   4.422
  529   HD22  LEU  66          1HD2      LEU  66   7.907   7.407   4.380
  530   HD23  LEU  66          2HD2      LEU  66   8.987   6.065   4.747
  531    H    LYS  67           H        LYS  67  10.554   8.994   0.507
  532    HA   LYS  67           HA       LYS  67  13.121   9.738   1.507
  533    HB2  LYS  67           2HB      LYS  67  12.192  10.587  -1.194
  534    HB3  LYS  67           1HB      LYS  67  13.771  10.008  -0.717
  535    HG2  LYS  67           2HG      LYS  67  12.636   7.811  -0.352
  536    HG3  LYS  67           1HG      LYS  67  11.253   8.478  -1.171
  537    HD2  LYS  67           2HD      LYS  67  13.985   8.411  -2.391
  538    HD3  LYS  67           1HD      LYS  67  12.819   7.089  -2.525
  539    HE2  LYS  67           2HE      LYS  67  11.182   8.814  -3.387
  540    HE3  LYS  67           1HE      LYS  67  12.542   9.926  -3.486
  541    HZ1  LYS  67           3HZ      LYS  67  12.004   8.737  -5.601
  542    HZ2  LYS  67           1HZ      LYS  67  12.527   7.298  -4.874
  543    HZ3  LYS  67           2HZ      LYS  67  13.612   8.587  -5.092
  544    H    HIS  68           H        HIS  68  10.366  11.592   0.344
  545    HA   HIS  68           HA       HIS  68  11.046  14.002   1.447
  546    HB2  HIS  68           2HB      HIS  68  11.710  15.174  -0.645
  547    HB3  HIS  68           1HB      HIS  68  12.921  14.085  -0.025
  548    HD1  HIS  68           1HD      HIS  68  10.422  12.174  -1.681
  549    HD2  HIS  68           2HD      HIS  68  13.723  14.375  -2.880
  550    HE1  HIS  68           1HE      HIS  68  10.946  11.390  -4.028
  551    HE2  HIS  68           2HE      HIS  68  13.038  12.635  -4.674
  552    H    GLU  69           H        GLU  69   8.993  14.654   1.715
  553    HA   GLU  69           HA       GLU  69   7.216  14.381  -0.563
  554    HB2  GLU  69           2HB      GLU  69   6.876  14.109   2.211
  555    HB3  GLU  69           1HB      GLU  69   5.852  15.413   1.634
  556    HG2  GLU  69           2HG      GLU  69   6.024  12.702   0.365
  557    HG3  GLU  69           1HG      GLU  69   4.815  13.161   1.519
  Start of MODEL    6
    1    H    SER   5           H        SER   5 -18.428   7.993  -0.162
    2    HA   SER   5           HA       SER   5 -18.685   5.106  -0.246
    3    HB2  SER   5           2HB      SER   5 -18.486   6.529  -2.321
    4    HB3  SER   5           1HB      SER   5 -16.822   6.873  -1.851
    5    HG   SER   5           HG       SER   5 -17.882   4.263  -2.263
    6    H    GLN   6           H        GLN   6 -17.896   4.713   1.878
    7    HA   GLN   6           HA       GLN   6 -15.252   5.533   2.631
    8    HB2  GLN   6           2HB      GLN   6 -17.105   3.541   3.928
    9    HB3  GLN   6           1HB      GLN   6 -15.649   4.205   4.653
   10    HG2  GLN   6           2HG      GLN   6 -16.641   6.438   4.588
   11    HG3  GLN   6           1HG      GLN   6 -18.102   5.766   3.869
   12   HE21  GLN   6          1HE2      GLN   6 -16.199   6.067   6.750
   13   HE22  GLN   6          2HE2      GLN   6 -17.401   5.482   7.852
   14    H    GLN   7           H        GLN   7 -14.530   4.559   0.519
   15    HA   GLN   7           HA       GLN   7 -13.097   2.138   1.116
   16    HB2  GLN   7           2HB      GLN   7 -15.288   1.344   0.197
   17    HB3  GLN   7           1HB      GLN   7 -14.886   2.187  -1.278
   18    HG2  GLN   7           2HG      GLN   7 -13.055   0.184  -0.150
   19    HG3  GLN   7           1HG      GLN   7 -14.402  -0.295  -1.156
   20   HE21  GLN   7          1HE2      GLN   7 -11.416  -0.264  -1.437
   21   HE22  GLN   7          2HE2      GLN   7 -11.130   0.527  -2.938
   22    H    ILE   8           H        ILE   8 -13.994   4.444  -1.403
   23    HA   ILE   8           HA       ILE   8 -11.740   4.168  -3.008
   24    HB   ILE   8           HB       ILE   8 -13.293   6.710  -2.580
   25   HG12  ILE   8          2HG1      ILE   8 -13.785   4.579  -4.609
   26   HG13  ILE   8          1HG1      ILE   8 -14.713   4.738  -3.131
   27   HG21  ILE   8          1HG2      ILE   8 -12.609   7.261  -4.863
   28   HG22  ILE   8          2HG2      ILE   8 -11.654   5.779  -4.922
   29   HG23  ILE   8          3HG2      ILE   8 -11.219   7.064  -3.795
   30   HD11  ILE   8          3HD1      ILE   8 -14.514   6.802  -5.313
   31   HD12  ILE   8          1HD1      ILE   8 -15.473   6.934  -3.838
   32   HD13  ILE   8          2HD1      ILE   8 -15.870   5.708  -5.043
   33    H    ALA   9           H        ALA   9 -12.165   5.794  -0.023
   34    HA   ALA   9           HA       ALA   9  -9.533   7.064  -0.298
   35    HB1  ALA   9           1HB      ALA   9 -10.222   8.645   1.412
   36    HB2  ALA   9           2HB      ALA   9 -11.763   7.804   1.586
   37    HB3  ALA   9           3HB      ALA   9 -11.377   8.634   0.078
   38    H    THR  10           H        THR  10 -11.585   5.653   2.194
   39    HA   THR  10           HA       THR  10  -9.590   5.477   4.136
   40    HB   THR  10           HB       THR  10 -11.278   3.754   5.100
   41    HG1  THR  10           1HG      THR  10 -13.223   3.744   4.131
   42   HG21  THR  10          3HG2      THR  10 -10.861   6.051   5.904
   43   HG22  THR  10          1HG2      THR  10 -12.568   5.610   5.997
   44   HG23  THR  10          2HG2      THR  10 -11.994   6.654   4.696
   45    H    ALA  11           H        ALA  11 -10.819   2.959   1.923
   46    HA   ALA  11           HA       ALA  11  -9.328   0.858   3.089
   47    HB1  ALA  11           1HB      ALA  11 -11.217   0.439   1.589
   48    HB2  ALA  11           2HB      ALA  11  -9.756  -0.376   1.028
   49    HB3  ALA  11           3HB      ALA  11 -10.295   1.107   0.241
   50    H    LYS  12           H        LYS  12  -8.674   3.104   0.467
   51    HA   LYS  12           HA       LYS  12  -6.094   2.103  -0.151
   52    HB2  LYS  12           2HB      LYS  12  -7.299   3.469  -1.758
   53    HB3  LYS  12           1HB      LYS  12  -7.349   4.812  -0.627
   54    HG2  LYS  12           2HG      LYS  12  -5.023   5.181  -0.811
   55    HG3  LYS  12           1HG      LYS  12  -4.779   3.655  -1.660
   56    HD2  LYS  12           2HD      LYS  12  -5.998   4.490  -3.577
   57    HD3  LYS  12           1HD      LYS  12  -6.362   5.992  -2.722
   58    HE2  LYS  12           2HE      LYS  12  -3.555   5.050  -3.245
   59    HE3  LYS  12           1HE      LYS  12  -4.439   6.070  -4.375
   60    HZ1  LYS  12           3HZ      LYS  12  -3.139   6.773  -1.912
   61    HZ2  LYS  12           1HZ      LYS  12  -4.741   7.336  -1.979
   62    HZ3  LYS  12           2HZ      LYS  12  -3.644   7.764  -3.196
   63    H    ASP  13           H        ASP  13  -7.328   4.580   2.002
   64    HA   ASP  13           HA       ASP  13  -4.906   5.769   2.754
   65    HB2  ASP  13           2HB      ASP  13  -7.069   6.809   3.212
   66    HB3  ASP  13           1HB      ASP  13  -7.499   5.497   4.299
   67    H    LYS  14           H        LYS  14  -6.744   3.137   4.339
   68    HA   LYS  14           HA       LYS  14  -4.869   2.750   6.395
   69    HB2  LYS  14           2HB      LYS  14  -7.310   1.879   6.180
   70    HB3  LYS  14           1HB      LYS  14  -6.572   0.521   5.336
   71    HG2  LYS  14           2HG      LYS  14  -5.282  -0.072   7.244
   72    HG3  LYS  14           1HG      LYS  14  -5.736   1.407   8.080
   73    HD2  LYS  14           2HD      LYS  14  -8.112   0.623   8.018
   74    HD3  LYS  14           1HD      LYS  14  -7.530  -0.908   7.364
   75    HE2  LYS  14           2HE      LYS  14  -6.750   0.277  10.030
   76    HE3  LYS  14           1HE      LYS  14  -7.915  -1.022   9.785
   77    HZ1  LYS  14           3HZ      LYS  14  -5.788  -1.918  10.437
   78    HZ2  LYS  14           1HZ      LYS  14  -5.019  -1.129   9.153
   79    HZ3  LYS  14           2HZ      LYS  14  -6.117  -2.376   8.836
   80    H    TYR  15           H        TYR  15  -5.212   1.317   3.170
   81    HA   TYR  15           HA       TYR  15  -3.129  -0.564   3.404
   82    HB2  TYR  15           2HB      TYR  15  -4.654  -0.700   1.530
   83    HB3  TYR  15           1HB      TYR  15  -4.160   0.898   0.967
   84    HD1  TYR  15           2HD      TYR  15  -3.039  -2.579   1.431
   85    HD2  TYR  15           1HD      TYR  15  -2.202   1.188  -0.378
   86    HE1  TYR  15           2HE      TYR  15  -1.256  -3.623   0.110
   87    HE2  TYR  15           1HE      TYR  15  -0.407   0.144  -1.711
   88    HH   TYR  15           HH       TYR  15   0.010  -3.263  -1.880
   89    H    GLU  16           H        GLU  16  -3.139   2.834   2.426
   90    HA   GLU  16           HA       GLU  16  -0.484   3.097   1.733
   91    HB2  GLU  16           2HB      GLU  16  -2.673   4.845   2.705
   92    HB3  GLU  16           1HB      GLU  16  -1.067   5.515   2.576
   93    HG2  GLU  16           2HG      GLU  16  -1.005   4.873   0.226
   94    HG3  GLU  16           1HG      GLU  16  -2.628   4.214   0.375
   95    H    TRP  17           H        TRP  17  -2.064   3.130   4.926
   96    HA   TRP  17           HA       TRP  17   0.374   3.730   6.292
   97    HB2  TRP  17           2HB      TRP  17  -1.435   4.105   7.698
   98    HB3  TRP  17           1HB      TRP  17  -2.261   2.668   7.173
   99    HD1  TRP  17           HD       TRP  17   0.954   3.401   9.109
  100    HE1  TRP  17           1HE      TRP  17   1.196   1.641  10.962
  101    HE3  TRP  17           3HE      TRP  17  -3.025   0.700   7.981
  102    HZ2  TRP  17           2HZ      TRP  17  -0.255  -0.619  11.855
  103    HZ3  TRP  17           3HZ      TRP  17  -3.622  -1.266   9.365
  104    HH2  TRP  17           HH       TRP  17  -2.219  -1.902  11.257
  105    H    LEU  18           H        LEU  18  -1.282   0.785   5.272
  106    HA   LEU  18           HA       LEU  18   0.204  -1.075   6.633
  107    HB2  LEU  18           2HB      LEU  18  -1.208  -1.043   4.013
  108    HB3  LEU  18           1HB      LEU  18  -0.008  -2.306   4.191
  109    HG   LEU  18           HG       LEU  18  -2.416  -2.941   4.748
  110   HD11  LEU  18          1HD1      LEU  18  -1.732  -4.257   6.705
  111   HD12  LEU  18          2HD1      LEU  18  -0.285  -3.265   6.881
  112   HD13  LEU  18          3HD1      LEU  18  -0.490  -4.278   5.452
  113   HD21  LEU  18          3HD2      LEU  18  -3.216  -2.301   6.954
  114   HD22  LEU  18          1HD2      LEU  18  -2.959  -0.868   5.959
  115   HD23  LEU  18          2HD2      LEU  18  -1.791  -1.293   7.211
  116    H    VAL  19           H        VAL  19   0.908   0.424   3.506
  117    HA   VAL  19           HA       VAL  19   3.498  -0.562   3.144
  118    HB   VAL  19           HB       VAL  19   2.277   2.042   2.212
  119   HG11  VAL  19          1HG1      VAL  19   4.735   2.255   2.335
  120   HG12  VAL  19          2HG1      VAL  19   4.142   2.259   0.674
  121   HG13  VAL  19          3HG1      VAL  19   4.891   0.807   1.339
  122   HG21  VAL  19          3HG2      VAL  19   1.315  -0.048   1.326
  123   HG22  VAL  19          1HG2      VAL  19   2.920  -0.512   0.755
  124   HG23  VAL  19          2HG2      VAL  19   2.119   0.912   0.082
  125    H    SER  20           H        SER  20   2.436   2.340   4.953
  126    HA   SER  20           HA       SER  20   5.124   3.124   5.515
  127    HB2  SER  20           2HB      SER  20   4.139   4.787   6.961
  128    HB3  SER  20           1HB      SER  20   3.246   4.720   5.455
  129    HG   SER  20           HG       SER  20   2.179   3.018   7.252
  130    H    ARG  21           H        ARG  21   2.991   0.839   6.906
  131    HA   ARG  21           HA       ARG  21   4.239   0.835   9.462
  132    HB2  ARG  21           2HB      ARG  21   2.401  -0.299  10.127
  133    HB3  ARG  21           1HB      ARG  21   1.718   0.236   8.609
  134    HG2  ARG  21           2HG      ARG  21   2.294  -1.749   7.594
  135    HG3  ARG  21           1HG      ARG  21   3.222  -2.288   8.961
  136    HD2  ARG  21           2HD      ARG  21   1.127  -2.268  10.308
  137    HD3  ARG  21           1HD      ARG  21   0.242  -1.921   8.823
  138    HE   ARG  21           HE       ARG  21   0.935  -4.096   8.002
  139   HH11  ARG  21          1HH1      ARG  21   1.421  -3.513  11.428
  140   HH12  ARG  21          2HH1      ARG  21   1.376  -5.202  11.844
  141   HH21  ARG  21          1HH2      ARG  21   0.843  -6.319   8.556
  142   HH22  ARG  21          2HH2      ARG  21   1.010  -6.789  10.225
  143    H    ILE  22           H        ILE  22   4.627  -0.552   6.445
  144    HA   ILE  22           HA       ILE  22   6.392  -2.686   7.448
  145    HB   ILE  22           HB       ILE  22   5.312  -2.276   4.663
  146   HG12  ILE  22          2HG1      ILE  22   3.554  -2.870   6.274
  147   HG13  ILE  22          1HG1      ILE  22   3.870  -4.167   5.140
  148   HG21  ILE  22          1HG2      ILE  22   7.488  -3.439   4.788
  149   HG22  ILE  22          2HG2      ILE  22   6.188  -4.460   4.174
  150   HG23  ILE  22          3HG2      ILE  22   6.750  -4.652   5.836
  151   HD11  ILE  22          3HD1      ILE  22   5.162  -5.348   6.814
  152   HD12  ILE  22          1HD1      ILE  22   3.518  -5.024   7.363
  153   HD13  ILE  22          2HD1      ILE  22   4.858  -4.046   7.966
  154    H    VAL  23           H        VAL  23   6.272  -0.607   4.603
  155    HA   VAL  23           HA       VAL  23   9.117  -0.343   4.301
  156    HB   VAL  23           HB       VAL  23   6.810   1.108   2.991
  157   HG11  VAL  23          1HG1      VAL  23   9.672   0.761   2.094
  158   HG12  VAL  23          2HG1      VAL  23   8.969   2.244   2.743
  159   HG13  VAL  23          3HG1      VAL  23   8.392   1.594   1.210
  160   HG21  VAL  23          3HG2      VAL  23   6.688  -1.328   2.740
  161   HG22  VAL  23          1HG2      VAL  23   8.314  -1.333   2.062
  162   HG23  VAL  23          2HG2      VAL  23   7.003  -0.515   1.209
  163    H    LYS  24           H        LYS  24  10.319   0.963   5.525
  164    HA   LYS  24           HA       LYS  24   9.056   3.366   6.664
  165    HB2  LYS  24           2HB      LYS  24   9.849   1.631   8.248
  166    HB3  LYS  24           1HB      LYS  24  11.476   1.958   7.710
  167    HG2  LYS  24           2HG      LYS  24  11.065   3.167   9.682
  168    HG3  LYS  24           1HG      LYS  24  11.192   4.292   8.351
  169    HD2  LYS  24           2HD      LYS  24   8.942   4.696   8.286
  170    HD3  LYS  24           1HD      LYS  24   8.595   3.211   9.153
  171    HE2  LYS  24           2HE      LYS  24   9.684   4.180  11.146
  172    HE3  LYS  24           1HE      LYS  24   9.835   5.704  10.268
  173    HZ1  LYS  24           3HZ      LYS  24   7.283   4.332  10.963
  174    HZ2  LYS  24           1HZ      LYS  24   7.408   5.748  10.038
  175    HZ3  LYS  24           2HZ      LYS  24   7.883   5.758  11.665
  176    H    ASN  25           H        ASN  25  12.263   2.244   5.560
  177    HA   ASN  25           HA       ASN  25  12.969   5.044   5.078
  178    HB2  ASN  25           2HB      ASN  25  15.287   4.218   4.805
  179    HB3  ASN  25           1HB      ASN  25  14.587   3.805   6.364
  180   HD21  ASN  25          1HD2      ASN  25  15.996   2.117   6.699
  181   HD22  ASN  25          2HD2      ASN  25  15.894   0.627   5.826
  182    H    HIS  26           H        HIS  26  11.297   3.121   3.330
  183    HA   HIS  26           HA       HIS  26  10.735   2.958   1.169
  184    HB2  HIS  26           2HB      HIS  26  11.035   4.774  -0.264
  185    HB3  HIS  26           1HB      HIS  26  11.106   5.484   1.334
  186    HD1  HIS  26           1HD      HIS  26  12.729   7.334   1.303
  187    HD2  HIS  26           2HD      HIS  26  14.016   4.154  -1.042
  188    HE1  HIS  26           1HE      HIS  26  15.037   7.947   0.509
  189    HE2  HIS  26           2HE      HIS  26  15.772   6.045  -0.962
  190    H    ASN  27           H        ASN  27  13.699   2.104   2.158
  191    HA   ASN  27           HA       ASN  27  14.824   1.569  -0.480
  192    HB2  ASN  27           2HB      ASN  27  15.849   1.744   2.289
  193    HB3  ASN  27           1HB      ASN  27  16.660   0.611   1.232
  194   HD21  ASN  27          1HD2      ASN  27  15.785   3.996   1.599
  195   HD22  ASN  27          2HD2      ASN  27  17.045   4.546   0.571
  196    H    GLU  28           H        GLU  28  12.475   0.245   0.427
  197    HA   GLU  28           HA       GLU  28  13.195  -2.502   0.997
  198    HB2  GLU  28           2HB      GLU  28  10.555  -1.092   0.610
  199    HB3  GLU  28           1HB      GLU  28  10.700  -2.810   0.933
  200    HG2  GLU  28           2HG      GLU  28  11.673  -0.623   2.752
  201    HG3  GLU  28           1HG      GLU  28  10.148  -1.490   2.926
  202    H    ASN  29           H        ASN  29  11.738  -4.115  -0.276
  203    HA   ASN  29           HA       ASN  29  11.805  -3.497  -3.165
  204    HB2  ASN  29           2HB      ASN  29  13.556  -5.142  -2.517
  205    HB3  ASN  29           1HB      ASN  29  12.315  -6.170  -1.816
  206   HD21  ASN  29          1HD2      ASN  29  14.210  -6.780  -3.896
  207   HD22  ASN  29          2HD2      ASN  29  13.289  -7.231  -5.291
  208    H    TRP  30           H        TRP  30   9.775  -3.420  -3.949
  209    HA   TRP  30           HA       TRP  30   7.485  -3.623  -2.481
  210    HB2  TRP  30           2HB      TRP  30   7.203  -2.576  -4.516
  211    HB3  TRP  30           1HB      TRP  30   7.955  -3.867  -5.413
  212    HD1  TRP  30           HD       TRP  30   6.337  -5.112  -6.759
  213    HE1  TRP  30           1HE      TRP  30   3.844  -5.799  -6.608
  214    HE3  TRP  30           3HE      TRP  30   5.287  -3.042  -2.252
  215    HZ2  TRP  30           2HZ      TRP  30   1.717  -5.470  -4.756
  216    HZ3  TRP  30           3HZ      TRP  30   3.028  -3.252  -1.350
  217    HH2  TRP  30           HH       TRP  30   1.272  -4.449  -2.562
  218    H    LEU  31           H        LEU  31   8.785  -6.238  -4.463
  219    HA   LEU  31           HA       LEU  31   6.604  -7.948  -4.159
  220    HB2  LEU  31           2HB      LEU  31   9.495  -8.421  -4.787
  221    HB3  LEU  31           1HB      LEU  31   8.265  -9.667  -4.888
  222    HG   LEU  31           HG       LEU  31   8.607  -8.829  -7.044
  223   HD11  LEU  31          1HD1      LEU  31   6.084  -7.643  -5.987
  224   HD12  LEU  31          2HD1      LEU  31   6.311  -9.310  -6.518
  225   HD13  LEU  31          3HD1      LEU  31   6.419  -7.992  -7.684
  226   HD21  LEU  31          3HD2      LEU  31   8.522  -6.585  -7.777
  227   HD22  LEU  31          1HD2      LEU  31   9.652  -6.672  -6.428
  228   HD23  LEU  31          2HD2      LEU  31   8.022  -6.037  -6.179
  229    H    SER  32           H        SER  32   9.688  -7.778  -2.505
  230    HA   SER  32           HA       SER  32   9.180  -9.730  -0.576
  231    HB2  SER  32           2HB      SER  32  11.103  -7.440  -0.807
  232    HB3  SER  32           1HB      SER  32  11.060  -8.468   0.603
  233    HG   SER  32           HG       SER  32  12.354  -9.686  -0.551
  234    H    VAL  33           H        VAL  33   8.637  -6.158  -0.461
  235    HA   VAL  33           HA       VAL  33   7.771  -6.337   2.234
  236    HB   VAL  33           HB       VAL  33   6.508  -4.096   1.514
  237   HG11  VAL  33          1HG1      VAL  33   8.398  -2.888   2.256
  238   HG12  VAL  33          2HG1      VAL  33   9.506  -4.131   1.675
  239   HG13  VAL  33          3HG1      VAL  33   8.481  -4.451   3.072
  240   HG21  VAL  33          3HG2      VAL  33   7.608  -2.916  -0.211
  241   HG22  VAL  33          1HG2      VAL  33   6.951  -4.425  -0.844
  242   HG23  VAL  33          2HG2      VAL  33   8.678  -4.288  -0.511
  243    H    SER  34           H        SER  34   6.252  -6.807  -0.850
  244    HA   SER  34           HA       SER  34   3.577  -7.009   0.053
  245    HB2  SER  34           2HB      SER  34   3.881  -6.825  -2.279
  246    HB3  SER  34           1HB      SER  34   5.118  -8.079  -2.312
  247    HG   SER  34           HG       SER  34   3.575  -9.623  -2.087
  248    H    ARG  35           H        ARG  35   6.287  -9.275   0.007
  249    HA   ARG  35           HA       ARG  35   5.132 -11.623   0.822
  250    HB2  ARG  35           2HB      ARG  35   7.668 -10.237   1.627
  251    HB3  ARG  35           1HB      ARG  35   7.288 -11.871   2.008
  252    HG2  ARG  35           2HG      ARG  35   7.509 -10.814  -0.704
  253    HG3  ARG  35           1HG      ARG  35   8.733 -11.710   0.155
  254    HD2  ARG  35           2HD      ARG  35   7.105 -13.557   0.420
  255    HD3  ARG  35           1HD      ARG  35   6.022 -12.646  -0.616
  256    HE   ARG  35           HE       ARG  35   7.389 -13.108  -2.451
  257   HH11  ARG  35          1HH1      ARG  35   8.642 -14.440   0.531
  258   HH12  ARG  35          2HH1      ARG  35   9.698 -15.575  -0.256
  259   HH21  ARG  35          1HH2      ARG  35   8.741 -14.609  -3.515
  260   HH22  ARG  35          2HH2      ARG  35   9.739 -15.687  -2.574
  261    H    LYS  36           H        LYS  36   6.550  -9.116   2.735
  262    HA   LYS  36           HA       LYS  36   5.707  -9.704   5.282
  263    HB2  LYS  36           2HB      LYS  36   5.925  -6.953   4.071
  264    HB3  LYS  36           1HB      LYS  36   6.202  -7.396   5.735
  265    HG2  LYS  36           2HG      LYS  36   8.057  -8.803   4.962
  266    HG3  LYS  36           1HG      LYS  36   7.868  -8.125   3.379
  267    HD2  LYS  36           2HD      LYS  36   8.287  -5.928   4.320
  268    HD3  LYS  36           1HD      LYS  36   8.547  -6.641   5.902
  269    HE2  LYS  36           2HE      LYS  36  10.410  -7.946   4.987
  270    HE3  LYS  36           1HE      LYS  36  10.153  -7.207   3.409
  271    HZ1  LYS  36           3HZ      LYS  36  10.832  -5.111   4.219
  272    HZ2  LYS  36           1HZ      LYS  36  11.968  -6.221   4.807
  273    HZ3  LYS  36           2HZ      LYS  36  10.769  -5.617   5.836
  274    H    MET  37           H        MET  37   4.308  -7.416   3.086
  275    HA   MET  37           HA       MET  37   2.107  -6.598   4.563
  276    HB2  MET  37           2HB      MET  37   2.662  -6.589   1.623
  277    HB3  MET  37           1HB      MET  37   1.201  -5.882   2.272
  278    HG2  MET  37           2HG      MET  37   2.661  -4.456   3.734
  279    HG3  MET  37           1HG      MET  37   4.033  -5.086   2.823
  280    HE1  MET  37           3HE      MET  37   3.899  -2.041   2.847
  281    HE2  MET  37           1HE      MET  37   4.114  -1.719   1.126
  282    HE3  MET  37           2HE      MET  37   4.998  -3.040   1.892
  283    H    GLN  38           H        GLN  38   2.285  -9.404   2.414
  284    HA   GLN  38           HA       GLN  38  -0.446  -9.614   1.841
  285    HB2  GLN  38           2HB      GLN  38  -0.009 -11.863   1.119
  286    HB3  GLN  38           1HB      GLN  38   1.319 -10.824   0.645
  287    HG2  GLN  38           2HG      GLN  38   2.446 -12.653   1.369
  288    HG3  GLN  38           1HG      GLN  38   2.417 -11.682   2.834
  289   HE21  GLN  38          1HE2      GLN  38   2.673 -13.472   4.141
  290   HE22  GLN  38          2HE2      GLN  38   1.403 -14.610   4.414
  291    H    ALA  39           H        ALA  39   1.300 -10.425   4.663
  292    HA   ALA  39           HA       ALA  39  -0.706 -12.155   5.777
  293    HB1  ALA  39           1HB      ALA  39   0.628 -12.110   7.790
  294    HB2  ALA  39           2HB      ALA  39   1.573 -10.758   7.167
  295    HB3  ALA  39           3HB      ALA  39   1.669 -12.337   6.384
  296    H    SER  40           H        SER  40  -1.283  -9.238   4.972
  297    HA   SER  40           HA       SER  40  -2.762  -8.569   7.396
  298    HB2  SER  40           2HB      SER  40  -1.525  -6.468   5.616
  299    HB3  SER  40           1HB      SER  40  -2.268  -6.253   7.194
  300    HG   SER  40           HG       SER  40   0.103  -7.742   6.728
  301    HA   PRO  41           HA       PRO  41  -6.284  -8.695   4.833
  302    HB2  PRO  41           2HB      PRO  41  -7.720  -6.794   6.264
  303    HB3  PRO  41           1HB      PRO  41  -7.671  -8.511   6.593
  304    HG2  PRO  41           2HG      PRO  41  -6.273  -6.331   7.916
  305    HG3  PRO  41           1HG      PRO  41  -6.799  -7.874   8.561
  306    HD2  PRO  41           2HD      PRO  41  -4.203  -7.308   8.005
  307    HD3  PRO  41           1HD      PRO  41  -4.870  -8.946   7.928
  308    H    GLU  42           H        GLU  42  -4.963  -5.594   5.734
  309    HA   GLU  42           HA       GLU  42  -6.469  -4.090   3.935
  310    HB2  GLU  42           2HB      GLU  42  -3.976  -3.609   5.438
  311    HB3  GLU  42           1HB      GLU  42  -4.386  -2.500   4.135
  312    HG2  GLU  42           2HG      GLU  42  -5.176  -1.692   6.282
  313    HG3  GLU  42           1HG      GLU  42  -6.503  -2.017   5.177
  314    H    TYR  43           H        TYR  43  -3.229  -5.412   3.593
  315    HA   TYR  43           HA       TYR  43  -2.801  -4.523   0.974
  316    HB2  TYR  43           2HB      TYR  43  -0.884  -5.264   2.052
  317    HB3  TYR  43           1HB      TYR  43  -1.659  -6.715   2.666
  318    HD1  TYR  43           1HD      TYR  43  -2.053  -8.639   1.079
  319    HD2  TYR  43           2HD      TYR  43   0.258  -5.238  -0.027
  320    HE1  TYR  43           1HE      TYR  43  -1.097  -9.907  -0.791
  321    HE2  TYR  43           2HE      TYR  43   1.208  -6.501  -1.912
  322    HH   TYR  43           HH       TYR  43   1.593  -8.811  -2.565
  323    H    GLN  44           H        GLN  44  -4.237  -7.504   2.246
  324    HA   GLN  44           HA       GLN  44  -4.773  -8.841  -0.144
  325    HB2  GLN  44           2HB      GLN  44  -6.452  -8.687   2.364
  326    HB3  GLN  44           1HB      GLN  44  -6.683  -9.857   1.075
  327    HG2  GLN  44           2HG      GLN  44  -4.133  -9.598   2.617
  328    HG3  GLN  44           1HG      GLN  44  -5.471 -10.636   3.089
  329   HE21  GLN  44          1HE2      GLN  44  -2.739 -11.349   2.324
  330   HE22  GLN  44          2HE2      GLN  44  -2.880 -12.414   0.961
  331    H    ASP  45           H        ASP  45  -7.097  -7.042   1.763
  332    HA   ASP  45           HA       ASP  45  -9.188  -6.753   0.087
  333    HB2  ASP  45           2HB      ASP  45  -8.053  -4.974   2.177
  334    HB3  ASP  45           1HB      ASP  45  -9.317  -4.317   1.151
  335    H    TYR  46           H        TYR  46  -6.519  -4.408   0.171
  336    HA   TYR  46           HA       TYR  46  -7.660  -2.804  -1.862
  337    HB2  TYR  46           2HB      TYR  46  -6.050  -1.961  -0.158
  338    HB3  TYR  46           1HB      TYR  46  -4.771  -2.827  -1.007
  339    HD1  TYR  46           1HD      TYR  46  -7.188  -0.051  -1.252
  340    HD2  TYR  46           2HD      TYR  46  -3.826  -1.960  -3.031
  341    HE1  TYR  46           1HE      TYR  46  -6.897   1.874  -2.751
  342    HE2  TYR  46           2HE      TYR  46  -3.524  -0.037  -4.533
  343    HH   TYR  46           HH       TYR  46  -4.892   1.785  -5.477
  344    H    VAL  47           H        VAL  47  -5.367  -5.449  -2.006
  345    HA   VAL  47           HA       VAL  47  -4.814  -4.889  -4.752
  346    HB   VAL  47           HB       VAL  47  -4.141  -7.296  -3.061
  347   HG11  VAL  47          1HG1      VAL  47  -3.321  -6.704  -5.900
  348   HG12  VAL  47          2HG1      VAL  47  -4.319  -8.050  -5.349
  349   HG13  VAL  47          3HG1      VAL  47  -2.619  -7.968  -4.889
  350   HG21  VAL  47          3HG2      VAL  47  -1.864  -6.424  -3.157
  351   HG22  VAL  47          1HG2      VAL  47  -2.970  -5.239  -2.464
  352   HG23  VAL  47          2HG2      VAL  47  -2.422  -5.064  -4.132
  353    H    TYR  48           H        TYR  48  -7.152  -6.700  -2.997
  354    HA   TYR  48           HA       TYR  48  -8.107  -8.318  -5.127
  355    HB2  TYR  48           2HB      TYR  48  -8.755  -9.065  -3.051
  356    HB3  TYR  48           1HB      TYR  48  -9.007  -7.451  -2.423
  357    HD1  TYR  48           1HD      TYR  48 -10.494 -10.041  -4.615
  358    HD2  TYR  48           2HD      TYR  48 -11.075  -6.481  -2.389
  359    HE1  TYR  48           1HE      TYR  48 -12.934 -10.272  -4.912
  360    HE2  TYR  48           2HE      TYR  48 -13.521  -6.687  -2.672
  361    HH   TYR  48           HH       TYR  48 -14.995  -9.540  -3.925
  362    H    LEU  49           H        LEU  49  -9.218  -5.324  -3.636
  363    HA   LEU  49           HA       LEU  49 -11.273  -4.685  -5.449
  364    HB2  LEU  49           2HB      LEU  49  -9.566  -2.678  -4.001
  365    HB3  LEU  49           1HB      LEU  49 -11.238  -2.498  -4.495
  366    HG   LEU  49           HG       LEU  49 -10.365  -4.525  -2.480
  367   HD11  LEU  49          1HD1      LEU  49 -11.091  -2.926  -0.745
  368   HD12  LEU  49          2HD1      LEU  49 -11.235  -1.685  -1.991
  369   HD13  LEU  49          3HD1      LEU  49  -9.660  -2.390  -1.624
  370   HD21  LEU  49          3HD2      LEU  49 -12.713  -4.415  -1.789
  371   HD22  LEU  49          1HD2      LEU  49 -12.564  -4.863  -3.489
  372   HD23  LEU  49          2HD2      LEU  49 -13.026  -3.218  -3.046
  373    H    GLU  50           H        GLU  50  -8.122  -3.122  -5.147
  374    HA   GLU  50           HA       GLU  50  -8.409  -1.966  -7.795
  375    HB2  GLU  50           2HB      GLU  50  -6.242  -1.708  -5.711
  376    HB3  GLU  50           1HB      GLU  50  -6.219  -0.874  -7.258
  377    HG2  GLU  50           2HG      GLU  50  -8.487  -0.596  -5.323
  378    HG3  GLU  50           1HG      GLU  50  -7.047   0.413  -5.245
  379    H    GLY  51           H        GLY  51  -5.529  -3.460  -6.355
  380    HA2  GLY  51           2HA      GLY  51  -5.136  -5.704  -7.732
  381    HA3  GLY  51           1HA      GLY  51  -4.814  -4.500  -8.974
  382    H    THR  52           H        THR  52  -2.853  -6.256  -8.265
  383    HA   THR  52           HA       THR  52  -1.164  -5.334  -6.186
  384    HB   THR  52           HB       THR  52   0.192  -6.708  -8.388
  385    HG1  THR  52           1HG      THR  52  -1.300  -8.629  -7.384
  386   HG21  THR  52          3HG2      THR  52   0.805  -8.243  -6.579
  387   HG22  THR  52          1HG2      THR  52  -0.332  -7.434  -5.501
  388   HG23  THR  52          2HG2      THR  52   1.080  -6.567  -6.107
  389    H    GLN  53           H        GLN  53  -1.531  -4.464  -9.546
  390    HA   GLN  53           HA       GLN  53   0.941  -3.157  -9.906
  391    HB2  GLN  53           2HB      GLN  53  -1.730  -2.679 -11.237
  392    HB3  GLN  53           1HB      GLN  53  -0.195  -2.061 -11.807
  393    HG2  GLN  53           2HG      GLN  53   0.588  -4.288 -12.192
  394    HG3  GLN  53           1HG      GLN  53  -0.903  -4.962 -11.555
  395   HE21  GLN  53          1HE2      GLN  53  -2.786  -4.814 -12.756
  396   HE22  GLN  53          2HE2      GLN  53  -2.777  -4.445 -14.446
  397    H    LYS  54           H        LYS  54  -2.281  -1.836  -9.379
  398    HA   LYS  54           HA       LYS  54  -1.494   0.801  -8.910
  399    HB2  LYS  54           2HB      LYS  54  -3.892  -0.719  -8.220
  400    HB3  LYS  54           1HB      LYS  54  -3.722   0.946  -7.735
  401    HG2  LYS  54           2HG      LYS  54  -3.116   1.366 -10.150
  402    HG3  LYS  54           1HG      LYS  54  -3.833  -0.204 -10.444
  403    HD2  LYS  54           2HD      LYS  54  -5.848   0.598  -9.247
  404    HD3  LYS  54           1HD      LYS  54  -5.154   2.210  -9.272
  405    HE2  LYS  54           2HE      LYS  54  -5.112   2.192 -11.695
  406    HE3  LYS  54           1HE      LYS  54  -5.715   0.535 -11.717
  407    HZ1  LYS  54           3HZ      LYS  54  -7.791   1.235 -10.855
  408    HZ2  LYS  54           1HZ      LYS  54  -7.419   2.291 -12.131
  409    HZ3  LYS  54           2HZ      LYS  54  -7.219   2.799 -10.528
  410    H    ALA  55           H        ALA  55  -1.778  -1.888  -6.744
  411    HA   ALA  55           HA       ALA  55  -1.274  -0.425  -4.325
  412    HB1  ALA  55           1HB      ALA  55  -2.294  -2.667  -4.331
  413    HB2  ALA  55           2HB      ALA  55  -0.839  -2.612  -3.335
  414    HB3  ALA  55           3HB      ALA  55  -0.784  -3.352  -4.935
  415    H    LYS  56           H        LYS  56   0.847  -2.209  -6.629
  416    HA   LYS  56           HA       LYS  56   3.249  -1.716  -5.328
  417    HB2  LYS  56           2HB      LYS  56   2.877  -3.213  -7.302
  418    HB3  LYS  56           1HB      LYS  56   2.792  -1.785  -8.319
  419    HG2  LYS  56           2HG      LYS  56   5.056  -1.183  -7.673
  420    HG3  LYS  56           1HG      LYS  56   5.108  -2.614  -6.643
  421    HD2  LYS  56           2HD      LYS  56   4.745  -4.027  -8.615
  422    HD3  LYS  56           1HD      LYS  56   4.765  -2.603  -9.626
  423    HE2  LYS  56           2HE      LYS  56   7.066  -2.122  -8.823
  424    HE3  LYS  56           1HE      LYS  56   7.033  -3.663  -7.969
  425    HZ1  LYS  56           3HZ      LYS  56   6.650  -4.761 -10.126
  426    HZ2  LYS  56           1HZ      LYS  56   8.136  -3.936 -10.069
  427    HZ3  LYS  56           2HZ      LYS  56   6.818  -3.263 -10.903
  428    H    LYS  57           H        LYS  57   1.623   0.194  -7.880
  429    HA   LYS  57           HA       LYS  57   3.289   2.376  -7.953
  430    HB2  LYS  57           2HB      LYS  57   0.332   1.961  -8.341
  431    HB3  LYS  57           1HB      LYS  57   1.103   3.485  -8.662
  432    HG2  LYS  57           2HG      LYS  57   1.795   0.879  -9.958
  433    HG3  LYS  57           1HG      LYS  57   0.877   2.195 -10.692
  434    HD2  LYS  57           2HD      LYS  57   2.783   3.649 -10.583
  435    HD3  LYS  57           1HD      LYS  57   3.690   2.432  -9.705
  436    HE2  LYS  57           2HE      LYS  57   3.834   1.020 -11.539
  437    HE3  LYS  57           1HE      LYS  57   2.563   1.892 -12.370
  438    HZ1  LYS  57           3HZ      LYS  57   4.454   2.659 -13.422
  439    HZ2  LYS  57           1HZ      LYS  57   5.380   2.645 -11.999
  440    HZ3  LYS  57           2HZ      LYS  57   4.220   3.857 -12.245
  441    H    LEU  58           H        LEU  58   0.661   1.623  -5.733
  442    HA   LEU  58           HA       LEU  58   0.643   4.075  -4.333
  443    HB2  LEU  58           2HB      LEU  58  -1.136   2.280  -4.345
  444    HB3  LEU  58           1HB      LEU  58  -0.101   1.342  -3.300
  445    HG   LEU  58           HG       LEU  58  -0.562   2.588  -1.484
  446   HD11  LEU  58          1HD1      LEU  58   0.270   4.728  -2.223
  447   HD12  LEU  58          2HD1      LEU  58  -1.359   4.975  -1.595
  448   HD13  LEU  58          3HD1      LEU  58  -1.088   4.919  -3.332
  449   HD21  LEU  58          3HD2      LEU  58  -2.655   1.660  -2.384
  450   HD22  LEU  58          1HD2      LEU  58  -2.969   3.205  -3.177
  451   HD23  LEU  58          2HD2      LEU  58  -2.912   3.112  -1.414
  452    H    PHE  59           H        PHE  59   2.250   0.966  -3.687
  453    HA   PHE  59           HA       PHE  59   3.869   1.588  -1.556
  454    HB2  PHE  59           2HB      PHE  59   3.980  -0.613  -2.430
  455    HB3  PHE  59           1HB      PHE  59   4.383  -0.052  -4.038
  456    HD1  PHE  59           2HD      PHE  59   5.790   0.099  -0.583
  457    HD2  PHE  59           1HD      PHE  59   6.563  -0.389  -4.750
  458    HE1  PHE  59           2HE      PHE  59   8.166  -0.310  -0.102
  459    HE2  PHE  59           1HE      PHE  59   8.933  -0.783  -4.263
  460    HZ   PHE  59           HZ       PHE  59   9.740  -0.747  -1.941
  461    H    LEU  60           H        LEU  60   4.627   2.177  -4.979
  462    HA   LEU  60           HA       LEU  60   7.045   3.505  -4.724
  463    HB2  LEU  60           2HB      LEU  60   4.847   3.585  -6.726
  464    HB3  LEU  60           1HB      LEU  60   6.115   4.772  -6.841
  465    HG   LEU  60           HG       LEU  60   6.432   2.898  -8.297
  466   HD11  LEU  60          1HD1      LEU  60   8.754   2.435  -7.769
  467   HD12  LEU  60          2HD1      LEU  60   8.482   2.921  -6.096
  468   HD13  LEU  60          3HD1      LEU  60   8.382   4.119  -7.390
  469   HD21  LEU  60          3HD2      LEU  60   5.403   1.119  -7.077
  470   HD22  LEU  60          1HD2      LEU  60   6.611   1.254  -5.799
  471   HD23  LEU  60          2HD2      LEU  60   7.085   0.697  -7.405
  472    H    GLN  61           H        GLN  61   3.816   4.948  -4.897
  473    HA   GLN  61           HA       GLN  61   4.445   7.623  -4.584
  474    HB2  GLN  61           2HB      GLN  61   2.135   6.156  -3.314
  475    HB3  GLN  61           1HB      GLN  61   2.232   7.892  -3.498
  476    HG2  GLN  61           2HG      GLN  61   2.225   7.597  -5.878
  477    HG3  GLN  61           1HG      GLN  61   2.124   5.866  -5.700
  478   HE21  GLN  61          1HE2      GLN  61   0.215   5.873  -6.863
  479   HE22  GLN  61          2HE2      GLN  61  -1.259   6.415  -6.173
  480    H    HIS  62           H        HIS  62   3.605   5.409  -1.964
  481    HA   HIS  62           HA       HIS  62   4.243   7.181   0.125
  482    HB2  HIS  62           2HB      HIS  62   3.043   4.970   0.425
  483    HB3  HIS  62           1HB      HIS  62   4.607   4.188   0.313
  484    HD1  HIS  62           1HD      HIS  62   5.744   3.882   2.458
  485    HD2  HIS  62           2HD      HIS  62   3.069   7.057   2.545
  486    HE1  HIS  62           1HE      HIS  62   5.802   4.761   4.771
  487    HE2  HIS  62           2HE      HIS  62   4.453   6.875   4.718
  488    H    ILE  63           H        ILE  63   6.249   4.864  -1.611
  489    HA   ILE  63           HA       ILE  63   8.634   5.119  -0.263
  490    HB   ILE  63           HB       ILE  63   8.139   4.975  -3.224
  491   HG12  ILE  63          2HG1      ILE  63   7.488   3.003  -2.065
  492   HG13  ILE  63          1HG1      ILE  63   9.036   2.680  -2.807
  493   HG21  ILE  63          1HG2      ILE  63  10.504   4.448  -3.522
  494   HG22  ILE  63          2HG2      ILE  63  10.797   4.761  -1.813
  495   HG23  ILE  63          3HG2      ILE  63  10.298   6.076  -2.875
  496   HD11  ILE  63          3HD1      ILE  63   8.923   1.770  -0.573
  497   HD12  ILE  63          1HD1      ILE  63   8.626   3.388   0.061
  498   HD13  ILE  63          2HD1      ILE  63  10.168   3.013  -0.710
  499    H    HIS  64           H        HIS  64   7.315   7.262  -2.746
  500    HA   HIS  64           HA       HIS  64   9.404   9.203  -2.752
  501    HB2  HIS  64           2HB      HIS  64   7.809   9.193  -4.540
  502    HB3  HIS  64           1HB      HIS  64   6.463   9.190  -3.458
  503    HD1  HIS  64           1HD      HIS  64   6.858  11.449  -1.818
  504    HD2  HIS  64           2HD      HIS  64   7.702  11.592  -5.854
  505    HE1  HIS  64           1HE      HIS  64   6.847  13.903  -2.408
  506    HE2  HIS  64           2HE      HIS  64   7.061  13.939  -4.939
  507    H    ARG  65           H        ARG  65   6.374   8.913  -0.968
  508    HA   ARG  65           HA       ARG  65   6.476  11.293   0.410
  509    HB2  ARG  65           2HB      ARG  65   5.383   8.702   1.230
  510    HB3  ARG  65           1HB      ARG  65   5.018  10.235   1.954
  511    HG2  ARG  65           2HG      ARG  65   4.148  11.054  -0.120
  512    HG3  ARG  65           1HG      ARG  65   4.503   9.505  -0.878
  513    HD2  ARG  65           2HD      ARG  65   3.130   8.564   1.092
  514    HD3  ARG  65           1HD      ARG  65   2.480  10.191   1.184
  515    HE   ARG  65           HE       ARG  65   2.255   9.434  -1.469
  516   HH11  ARG  65          1HH1      ARG  65   0.992   8.383   1.637
  517   HH12  ARG  65          2HH1      ARG  65  -0.447   7.695   0.954
  518   HH21  ARG  65          1HH2      ARG  65   0.338   8.507  -2.348
  519   HH22  ARG  65          2HH2      ARG  65  -0.815   7.753  -1.280
  520    H    LEU  66           H        LEU  66   7.578   8.129   1.379
  521    HA   LEU  66           HA       LEU  66   8.959   8.620   3.726
  522    HB2  LEU  66           2HB      LEU  66   9.661   6.811   1.440
  523    HB3  LEU  66           1HB      LEU  66  10.364   6.686   3.021
  524    HG   LEU  66           HG       LEU  66   7.452   6.432   2.447
  525   HD11  LEU  66          1HD1      LEU  66   8.640   4.630   1.353
  526   HD12  LEU  66          2HD1      LEU  66   7.809   4.012   2.781
  527   HD13  LEU  66          3HD1      LEU  66   9.548   4.302   2.830
  528   HD21  LEU  66          3HD2      LEU  66   8.001   7.135   4.699
  529   HD22  LEU  66          1HD2      LEU  66   9.131   5.793   4.852
  530   HD23  LEU  66          2HD2      LEU  66   7.402   5.474   4.702
  531    H    LYS  67           H        LYS  67  10.075   8.809   0.446
  532    HA   LYS  67           HA       LYS  67  12.654   9.742   0.845
  533    HB2  LYS  67           2HB      LYS  67  10.717  10.333  -1.399
  534    HB3  LYS  67           1HB      LYS  67  12.430  10.490  -1.478
  535    HG2  LYS  67           2HG      LYS  67  12.512   8.064  -0.853
  536    HG3  LYS  67           1HG      LYS  67  10.835   8.032  -1.344
  537    HD2  LYS  67           2HD      LYS  67  13.262   8.557  -2.953
  538    HD3  LYS  67           1HD      LYS  67  11.994   7.383  -3.252
  539    HE2  LYS  67           2HE      LYS  67  10.470   9.399  -3.615
  540    HE3  LYS  67           1HE      LYS  67  11.943  10.360  -3.666
  541    HZ1  LYS  67           3HZ      LYS  67  11.151   9.648  -5.882
  542    HZ2  LYS  67           1HZ      LYS  67  11.425   8.032  -5.443
  543    HZ3  LYS  67           2HZ      LYS  67  12.722   9.127  -5.534
  544    H    HIS  68           H        HIS  68   9.638  11.534   0.363
  545    HA   HIS  68           HA       HIS  68  10.339  13.769   1.785
  546    HB2  HIS  68           2HB      HIS  68  10.629  15.337  -0.105
  547    HB3  HIS  68           1HB      HIS  68  11.982  14.271   0.146
  548    HD1  HIS  68           1HD      HIS  68   9.885  12.119  -1.461
  549    HD2  HIS  68           2HD      HIS  68  11.832  15.546  -2.743
  550    HE1  HIS  68           1HE      HIS  68  10.114  11.878  -3.971
  551    HE2  HIS  68           2HE      HIS  68  11.413  13.908  -4.698
  552    H    GLU  69           H        GLU  69   8.256  13.830   2.502
  553    HA   GLU  69           HA       GLU  69   6.032  13.891   0.692
  554    HB2  GLU  69           2HB      GLU  69   6.387  14.032   3.594
  555    HB3  GLU  69           1HB      GLU  69   5.062  15.009   3.002
  556    HG2  GLU  69           2HG      GLU  69   4.406  12.874   1.749
  557    HG3  GLU  69           1HG      GLU  69   5.459  12.059   2.893
  Start of MODEL    7
    1    H    SER   5           H        SER   5 -16.312   9.281   0.105
    2    HA   SER   5           HA       SER   5 -17.321   6.795  -0.928
    3    HB2  SER   5           2HB      SER   5 -14.694   8.176  -1.536
    4    HB3  SER   5           1HB      SER   5 -15.499   6.950  -2.516
    5    HG   SER   5           HG       SER   5 -16.796   8.421  -3.302
    6    H    GLN   6           H        GLN   6 -17.174   5.714   1.225
    7    HA   GLN   6           HA       GLN   6 -14.666   5.189   2.418
    8    HB2  GLN   6           2HB      GLN   6 -15.782   3.595   3.790
    9    HB3  GLN   6           1HB      GLN   6 -16.892   4.934   3.551
   10    HG2  GLN   6           2HG      GLN   6 -18.196   3.686   2.009
   11    HG3  GLN   6           1HG      GLN   6 -16.991   2.399   1.941
   12   HE21  GLN   6          1HE2      GLN   6 -18.311   0.779   2.621
   13   HE22  GLN   6          2HE2      GLN   6 -18.935   0.673   4.240
   14    H    GLN   7           H        GLN   7 -13.503   3.204   2.480
   15    HA   GLN   7           HA       GLN   7 -12.377   1.489   1.563
   16    HB2  GLN   7           2HB      GLN   7 -15.030   1.020   0.579
   17    HB3  GLN   7           1HB      GLN   7 -13.844   0.530  -0.612
   18    HG2  GLN   7           2HG      GLN   7 -14.313  -1.340   0.741
   19    HG3  GLN   7           1HG      GLN   7 -12.747  -0.734   1.199
   20   HE21  GLN   7          1HE2      GLN   7 -15.748   0.706   2.143
   21   HE22  GLN   7          2HE2      GLN   7 -15.571   0.351   3.816
   22    H    ILE   8           H        ILE   8 -14.002   3.350  -0.983
   23    HA   ILE   8           HA       ILE   8 -11.943   3.180  -2.886
   24    HB   ILE   8           HB       ILE   8 -13.849   5.484  -2.502
   25   HG12  ILE   8          2HG1      ILE   8 -14.209   3.025  -4.159
   26   HG13  ILE   8          1HG1      ILE   8 -14.998   3.299  -2.620
   27   HG21  ILE   8          1HG2      ILE   8 -12.032   5.998  -4.033
   28   HG22  ILE   8          2HG2      ILE   8 -13.557   5.847  -4.903
   29   HG23  ILE   8          3HG2      ILE   8 -12.383   4.531  -4.949
   30   HD11  ILE   8          3HD1      ILE   8 -16.497   3.758  -4.467
   31   HD12  ILE   8          1HD1      ILE   8 -15.359   4.936  -5.120
   32   HD13  ILE   8          2HD1      ILE   8 -16.146   5.235  -3.569
   33    H    ALA   9           H        ALA   9 -12.352   5.053  -0.057
   34    HA   ALA   9           HA       ALA   9  -9.805   6.419  -0.554
   35    HB1  ALA   9           1HB      ALA   9 -10.525   8.167   0.974
   36    HB2  ALA   9           2HB      ALA   9 -12.043   7.313   1.248
   37    HB3  ALA   9           3HB      ALA   9 -11.680   7.975  -0.345
   38    H    THR  10           H        THR  10 -11.781   5.332   2.160
   39    HA   THR  10           HA       THR  10  -9.746   5.349   4.047
   40    HB   THR  10           HB       THR  10 -11.296   3.834   5.365
   41    HG1  THR  10           1HG      THR  10 -13.412   3.680   4.531
   42   HG21  THR  10          3HG2      THR  10 -11.189   6.246   5.674
   43   HG22  THR  10          1HG2      THR  10 -12.855   5.683   5.797
   44   HG23  THR  10          2HG2      THR  10 -12.300   6.481   4.325
   45    H    ALA  11           H        ALA  11 -10.713   2.694   1.899
   46    HA   ALA  11           HA       ALA  11  -9.178   0.754   3.363
   47    HB1  ALA  11           1HB      ALA  11  -9.594  -0.763   1.524
   48    HB2  ALA  11           2HB      ALA  11 -10.177   0.568   0.524
   49    HB3  ALA  11           3HB      ALA  11 -11.085   0.077   1.954
   50    H    LYS  12           H        LYS  12  -8.700   2.721   0.479
   51    HA   LYS  12           HA       LYS  12  -6.059   1.882  -0.057
   52    HB2  LYS  12           2HB      LYS  12  -7.314   3.100  -1.730
   53    HB3  LYS  12           1HB      LYS  12  -7.488   4.481  -0.658
   54    HG2  LYS  12           2HG      LYS  12  -5.175   5.000  -0.820
   55    HG3  LYS  12           1HG      LYS  12  -4.835   3.484  -1.658
   56    HD2  LYS  12           2HD      LYS  12  -6.169   4.224  -3.559
   57    HD3  LYS  12           1HD      LYS  12  -6.552   5.728  -2.716
   58    HE2  LYS  12           2HE      LYS  12  -3.758   4.835  -3.388
   59    HE3  LYS  12           1HE      LYS  12  -4.710   5.911  -4.402
   60    HZ1  LYS  12           3HZ      LYS  12  -3.326   7.245  -3.044
   61    HZ2  LYS  12           1HZ      LYS  12  -3.762   6.412  -1.629
   62    HZ3  LYS  12           2HZ      LYS  12  -4.891   7.395  -2.424
   63    H    ASP  13           H        ASP  13  -7.439   4.440   1.917
   64    HA   ASP  13           HA       ASP  13  -5.163   5.663   2.918
   65    HB2  ASP  13           2HB      ASP  13  -7.428   6.492   3.362
   66    HB3  ASP  13           1HB      ASP  13  -7.781   5.053   4.310
   67    H    LYS  14           H        LYS  14  -6.894   2.833   4.241
   68    HA   LYS  14           HA       LYS  14  -5.139   2.344   6.368
   69    HB2  LYS  14           2HB      LYS  14  -7.502   1.442   5.962
   70    HB3  LYS  14           1HB      LYS  14  -6.742   0.241   4.928
   71    HG2  LYS  14           2HG      LYS  14  -5.420  -0.559   6.803
   72    HG3  LYS  14           1HG      LYS  14  -6.156   0.667   7.836
   73    HD2  LYS  14           2HD      LYS  14  -8.359  -0.339   7.471
   74    HD3  LYS  14           1HD      LYS  14  -7.632  -1.552   6.415
   75    HE2  LYS  14           2HE      LYS  14  -6.156  -2.118   8.452
   76    HE3  LYS  14           1HE      LYS  14  -7.356  -1.222   9.384
   77    HZ1  LYS  14           3HZ      LYS  14  -7.630  -3.746   9.101
   78    HZ2  LYS  14           1HZ      LYS  14  -8.189  -3.377   7.546
   79    HZ3  LYS  14           2HZ      LYS  14  -9.000  -2.767   8.908
   80    H    TYR  15           H        TYR  15  -5.180   1.212   3.015
   81    HA   TYR  15           HA       TYR  15  -3.036  -0.623   3.272
   82    HB2  TYR  15           2HB      TYR  15  -4.488  -0.774   1.346
   83    HB3  TYR  15           1HB      TYR  15  -4.075   0.868   0.852
   84    HD1  TYR  15           2HD      TYR  15  -2.713  -2.536   1.292
   85    HD2  TYR  15           1HD      TYR  15  -2.148   1.298  -0.484
   86    HE1  TYR  15           2HE      TYR  15  -0.840  -3.419  -0.014
   87    HE2  TYR  15           1HE      TYR  15  -0.268   0.409  -1.796
   88    HH   TYR  15           HH       TYR  15   1.292  -1.385  -1.781
   89    H    GLU  16           H        GLU  16  -3.194   2.805   2.448
   90    HA   GLU  16           HA       GLU  16  -0.521   3.194   1.872
   91    HB2  GLU  16           2HB      GLU  16  -2.877   4.787   2.635
   92    HB3  GLU  16           1HB      GLU  16  -1.323   5.558   2.840
   93    HG2  GLU  16           2HG      GLU  16  -0.834   4.947   0.464
   94    HG3  GLU  16           1HG      GLU  16  -2.511   4.430   0.338
   95    H    TRP  17           H        TRP  17  -2.256   2.997   4.941
   96    HA   TRP  17           HA       TRP  17   0.034   3.726   6.494
   97    HB2  TRP  17           2HB      TRP  17  -1.923   3.937   7.746
   98    HB3  TRP  17           1HB      TRP  17  -2.578   2.445   7.137
   99    HD1  TRP  17           HD       TRP  17   0.403   3.392   9.337
  100    HE1  TRP  17           1HE      TRP  17   0.625   1.633  11.188
  101    HE3  TRP  17           3HE      TRP  17  -3.265   0.437   7.876
  102    HZ2  TRP  17           2HZ      TRP  17  -0.720  -0.740  11.945
  103    HZ3  TRP  17           3HZ      TRP  17  -3.819  -1.592   9.191
  104    HH2  TRP  17           HH       TRP  17  -2.532  -2.152  11.179
  105    H    LEU  18           H        LEU  18  -1.334   0.741   5.209
  106    HA   LEU  18           HA       LEU  18   0.185  -1.048   6.659
  107    HB2  LEU  18           2HB      LEU  18  -1.149  -1.096   4.015
  108    HB3  LEU  18           1HB      LEU  18   0.193  -2.214   4.153
  109    HG   LEU  18           HG       LEU  18  -2.248  -2.995   4.744
  110   HD11  LEU  18          1HD1      LEU  18  -1.323  -4.596   6.332
  111   HD12  LEU  18          2HD1      LEU  18   0.105  -3.586   6.560
  112   HD13  LEU  18          3HD1      LEU  18  -0.194  -4.348   4.998
  113   HD21  LEU  18          3HD2      LEU  18  -1.321  -1.671   7.296
  114   HD22  LEU  18          1HD2      LEU  18  -2.737  -2.705   7.117
  115   HD23  LEU  18          2HD2      LEU  18  -2.669  -1.150   6.285
  116    H    VAL  19           H        VAL  19   0.914   0.540   3.587
  117    HA   VAL  19           HA       VAL  19   3.576  -0.337   3.353
  118    HB   VAL  19           HB       VAL  19   2.270   2.158   2.242
  119   HG11  VAL  19          1HG1      VAL  19   4.163   2.318   0.716
  120   HG12  VAL  19          2HG1      VAL  19   4.928   0.932   1.495
  121   HG13  VAL  19          3HG1      VAL  19   4.715   2.438   2.387
  122   HG21  VAL  19          3HG2      VAL  19   1.331   0.076   1.408
  123   HG22  VAL  19          1HG2      VAL  19   2.952  -0.495   0.998
  124   HG23  VAL  19          2HG2      VAL  19   2.264   0.895   0.150
  125    H    SER  20           H        SER  20   2.212   2.429   5.131
  126    HA   SER  20           HA       SER  20   4.850   3.446   5.664
  127    HB2  SER  20           2HB      SER  20   3.762   5.157   6.906
  128    HB3  SER  20           1HB      SER  20   2.825   4.889   5.456
  129    HG   SER  20           HG       SER  20   1.421   5.040   7.179
  130    H    ARG  21           H        ARG  21   2.776   1.120   7.071
  131    HA   ARG  21           HA       ARG  21   3.862   1.275   9.681
  132    HB2  ARG  21           2HB      ARG  21   2.060   0.036  10.262
  133    HB3  ARG  21           1HB      ARG  21   1.473   0.397   8.655
  134    HG2  ARG  21           2HG      ARG  21   2.313  -1.584   7.843
  135    HG3  ARG  21           1HG      ARG  21   3.169  -1.943   9.308
  136    HD2  ARG  21           2HD      ARG  21   0.867  -1.941  10.434
  137    HD3  ARG  21           1HD      ARG  21   0.213  -2.019   8.799
  138    HE   ARG  21           HE       ARG  21   2.184  -4.042   9.522
  139   HH11  ARG  21          1HH1      ARG  21  -1.200  -3.216   9.162
  140   HH12  ARG  21          2HH1      ARG  21  -1.732  -4.859   9.029
  141   HH21  ARG  21          1HH2      ARG  21   1.500  -6.221   9.377
  142   HH22  ARG  21          2HH2      ARG  21  -0.185  -6.576   9.131
  143    H    ILE  22           H        ILE  22   4.458  -0.361   6.765
  144    HA   ILE  22           HA       ILE  22   6.422  -2.150   8.017
  145    HB   ILE  22           HB       ILE  22   5.508  -2.148   5.154
  146   HG12  ILE  22          2HG1      ILE  22   3.820  -2.572   7.149
  147   HG13  ILE  22          1HG1      ILE  22   3.759  -3.498   5.677
  148   HG21  ILE  22          1HG2      ILE  22   6.347  -4.469   5.224
  149   HG22  ILE  22          2HG2      ILE  22   6.940  -4.180   6.855
  150   HG23  ILE  22          3HG2      ILE  22   7.616  -3.275   5.497
  151   HD11  ILE  22          3HD1      ILE  22   3.512  -4.940   7.592
  152   HD12  ILE  22          1HD1      ILE  22   5.025  -4.332   8.268
  153   HD13  ILE  22          2HD1      ILE  22   5.038  -5.282   6.780
  154    H    VAL  23           H        VAL  23   6.070  -0.023   5.199
  155    HA   VAL  23           HA       VAL  23   8.931   0.107   4.767
  156    HB   VAL  23           HB       VAL  23   6.609   1.442   3.364
  157   HG11  VAL  23          1HG1      VAL  23   9.467   1.067   2.469
  158   HG12  VAL  23          2HG1      VAL  23   8.731   2.589   2.982
  159   HG13  VAL  23          3HG1      VAL  23   8.160   1.784   1.523
  160   HG21  VAL  23          3HG2      VAL  23   6.523  -1.016   3.323
  161   HG22  VAL  23          1HG2      VAL  23   8.130  -1.045   2.597
  162   HG23  VAL  23          2HG2      VAL  23   6.779  -0.316   1.725
  163    H    LYS  24           H        LYS  24   9.816   1.229   6.436
  164    HA   LYS  24           HA       LYS  24   8.704   3.733   7.380
  165    HB2  LYS  24           2HB      LYS  24  10.235   1.752   8.514
  166    HB3  LYS  24           1HB      LYS  24  11.400   2.996   8.198
  167    HG2  LYS  24           2HG      LYS  24  10.712   3.329  10.357
  168    HG3  LYS  24           1HG      LYS  24   9.942   4.588   9.403
  169    HD2  LYS  24           2HD      LYS  24   7.978   3.231   9.300
  170    HD3  LYS  24           1HD      LYS  24   8.725   2.007  10.311
  171    HE2  LYS  24           2HE      LYS  24   8.966   3.571  12.108
  172    HE3  LYS  24           1HE      LYS  24   8.374   4.873  11.085
  173    HZ1  LYS  24           3HZ      LYS  24   6.728   2.498  11.753
  174    HZ2  LYS  24           1HZ      LYS  24   6.199   3.985  11.128
  175    HZ3  LYS  24           2HZ      LYS  24   6.746   3.883  12.734
  176    H    ASN  25           H        ASN  25  11.906   2.769   6.194
  177    HA   ASN  25           HA       ASN  25  12.505   5.541   5.486
  178    HB2  ASN  25           2HB      ASN  25  14.832   4.796   5.359
  179    HB3  ASN  25           1HB      ASN  25  14.113   4.286   6.882
  180   HD21  ASN  25          1HD2      ASN  25  16.414   3.203   5.469
  181   HD22  ASN  25          2HD2      ASN  25  16.053   1.530   5.199
  182    H    HIS  26           H        HIS  26  10.802   3.600   3.909
  183    HA   HIS  26           HA       HIS  26  10.289   3.073   1.788
  184    HB2  HIS  26           2HB      HIS  26  10.756   4.607   0.077
  185    HB3  HIS  26           1HB      HIS  26  10.711   5.557   1.521
  186    HD1  HIS  26           1HD      HIS  26  12.280   7.341   1.257
  187    HD2  HIS  26           2HD      HIS  26  13.834   3.826  -0.266
  188    HE1  HIS  26           1HE      HIS  26  14.647   7.866   0.636
  189    HE2  HIS  26           2HE      HIS  26  15.632   5.683  -0.108
  190    H    ASN  27           H        ASN  27  13.195   2.268   2.980
  191    HA   ASN  27           HA       ASN  27  14.407   1.433   0.474
  192    HB2  ASN  27           2HB      ASN  27  15.315   1.853   3.243
  193    HB3  ASN  27           1HB      ASN  27  16.132   0.583   2.364
  194   HD21  ASN  27          1HD2      ASN  27  15.461   4.033   2.411
  195   HD22  ASN  27          2HD2      ASN  27  16.764   4.410   1.354
  196    H    GLU  28           H        GLU  28  11.985   0.246   1.304
  197    HA   GLU  28           HA       GLU  28  12.637  -2.538   1.829
  198    HB2  GLU  28           2HB      GLU  28  10.036  -1.074   1.378
  199    HB3  GLU  28           1HB      GLU  28  10.149  -2.808   1.544
  200    HG2  GLU  28           2HG      GLU  28  10.936  -0.829   3.643
  201    HG3  GLU  28           1HG      GLU  28   9.419  -1.697   3.575
  202    H    ASN  29           H        ASN  29  11.384  -4.099   0.318
  203    HA   ASN  29           HA       ASN  29  11.697  -3.235  -2.487
  204    HB2  ASN  29           2HB      ASN  29  12.401  -5.904  -1.247
  205    HB3  ASN  29           1HB      ASN  29  12.365  -5.605  -2.981
  206   HD21  ASN  29          1HD2      ASN  29  14.562  -6.350  -1.137
  207   HD22  ASN  29          2HD2      ASN  29  15.784  -5.145  -1.369
  208    H    TRP  30           H        TRP  30   9.778  -3.183  -3.447
  209    HA   TRP  30           HA       TRP  30   7.379  -3.561  -2.332
  210    HB2  TRP  30           2HB      TRP  30   7.369  -2.430  -4.341
  211    HB3  TRP  30           1HB      TRP  30   8.177  -3.715  -5.198
  212    HD1  TRP  30           HD       TRP  30   6.683  -4.957  -6.684
  213    HE1  TRP  30           1HE      TRP  30   4.177  -5.568  -6.807
  214    HE3  TRP  30           3HE      TRP  30   5.197  -2.715  -2.415
  215    HZ2  TRP  30           2HZ      TRP  30   1.854  -5.099  -5.241
  216    HZ3  TRP  30           3HZ      TRP  30   2.842  -2.804  -1.776
  217    HH2  TRP  30           HH       TRP  30   1.192  -3.975  -3.154
  218    H    LEU  31           H        LEU  31   8.803  -6.109  -4.393
  219    HA   LEU  31           HA       LEU  31   6.612  -7.833  -4.193
  220    HB2  LEU  31           2HB      LEU  31   9.513  -8.310  -4.793
  221    HB3  LEU  31           1HB      LEU  31   8.278  -9.541  -4.941
  222    HG   LEU  31           HG       LEU  31   8.674  -8.678  -7.072
  223   HD11  LEU  31          1HD1      LEU  31   6.134  -7.490  -6.046
  224   HD12  LEU  31          2HD1      LEU  31   6.361  -9.140  -6.626
  225   HD13  LEU  31          3HD1      LEU  31   6.509  -7.784  -7.743
  226   HD21  LEU  31          3HD2      LEU  31   8.590  -6.400  -7.750
  227   HD22  LEU  31          1HD2      LEU  31   9.738  -6.562  -6.421
  228   HD23  LEU  31          2HD2      LEU  31   8.128  -5.900  -6.125
  229    H    SER  32           H        SER  32   9.778  -8.081  -2.605
  230    HA   SER  32           HA       SER  32   9.196 -10.119  -0.839
  231    HB2  SER  32           2HB      SER  32  11.003  -7.835  -0.232
  232    HB3  SER  32           1HB      SER  32  11.135  -9.472   0.356
  233    HG   SER  32           HG       SER  32  12.526  -8.778  -1.509
  234    H    VAL  33           H        VAL  33   8.552  -6.671  -0.536
  235    HA   VAL  33           HA       VAL  33   7.746  -6.884   2.213
  236    HB   VAL  33           HB       VAL  33   7.104  -4.651   0.274
  237   HG11  VAL  33          1HG1      VAL  33   7.188  -4.789   3.275
  238   HG12  VAL  33          2HG1      VAL  33   5.795  -4.426   2.253
  239   HG13  VAL  33          3HG1      VAL  33   7.137  -3.279   2.365
  240   HG21  VAL  33          3HG2      VAL  33   9.131  -3.673   0.734
  241   HG22  VAL  33          1HG2      VAL  33   9.549  -5.375   0.559
  242   HG23  VAL  33          2HG2      VAL  33   9.407  -4.664   2.174
  243    H    SER  34           H        SER  34   6.225  -7.185  -0.892
  244    HA   SER  34           HA       SER  34   3.536  -7.197   0.045
  245    HB2  SER  34           2HB      SER  34   4.796  -8.435  -2.424
  246    HB3  SER  34           1HB      SER  34   3.064  -8.308  -2.148
  247    HG   SER  34           HG       SER  34   4.922  -6.178  -2.396
  248    H    ARG  35           H        ARG  35   6.086  -9.548  -0.225
  249    HA   ARG  35           HA       ARG  35   4.812 -11.938   0.393
  250    HB2  ARG  35           2HB      ARG  35   7.394 -10.901   0.234
  251    HB3  ARG  35           1HB      ARG  35   7.232 -11.490   1.859
  252    HG2  ARG  35           2HG      ARG  35   8.126 -13.210   0.663
  253    HG3  ARG  35           1HG      ARG  35   6.437 -13.640   0.870
  254    HD2  ARG  35           2HD      ARG  35   5.984 -12.626  -1.314
  255    HD3  ARG  35           1HD      ARG  35   7.707 -12.389  -1.544
  256    HE   ARG  35           HE       ARG  35   7.079 -15.124  -0.999
  257   HH11  ARG  35          1HH1      ARG  35   7.085 -12.671  -3.476
  258   HH12  ARG  35          2HH1      ARG  35   7.274 -13.785  -4.793
  259   HH21  ARG  35          1HH2      ARG  35   7.306 -16.628  -2.721
  260   HH22  ARG  35          2HH2      ARG  35   7.363 -16.053  -4.361
  261    H    LYS  36           H        LYS  36   6.450  -9.740   2.499
  262    HA   LYS  36           HA       LYS  36   5.565 -10.334   5.002
  263    HB2  LYS  36           2HB      LYS  36   5.843  -7.546   3.895
  264    HB3  LYS  36           1HB      LYS  36   6.106  -8.061   5.541
  265    HG2  LYS  36           2HG      LYS  36   7.947  -9.445   4.738
  266    HG3  LYS  36           1HG      LYS  36   7.762  -8.743   3.163
  267    HD2  LYS  36           2HD      LYS  36   8.185  -6.560   4.143
  268    HD3  LYS  36           1HD      LYS  36   8.452  -7.305   5.710
  269    HE2  LYS  36           2HE      LYS  36  10.307  -8.593   4.768
  270    HE3  LYS  36           1HE      LYS  36  10.039  -7.838   3.199
  271    HZ1  LYS  36           3HZ      LYS  36  10.736  -6.333   5.659
  272    HZ2  LYS  36           1HZ      LYS  36  10.675  -5.725   4.080
  273    HZ3  LYS  36           2HZ      LYS  36  11.873  -6.848   4.514
  274    H    MET  37           H        MET  37   4.220  -7.894   2.922
  275    HA   MET  37           HA       MET  37   2.083  -7.150   4.580
  276    HB2  MET  37           2HB      MET  37   2.884  -6.561   1.791
  277    HB3  MET  37           1HB      MET  37   1.240  -6.160   2.258
  278    HG2  MET  37           2HG      MET  37   2.220  -4.901   4.205
  279    HG3  MET  37           1HG      MET  37   3.802  -5.150   3.468
  280    HE1  MET  37           3HE      MET  37   3.375  -3.217   0.058
  281    HE2  MET  37           1HE      MET  37   3.028  -4.924   0.340
  282    HE3  MET  37           2HE      MET  37   4.462  -4.186   1.051
  283    H    GLN  38           H        GLN  38   2.141  -9.661   2.109
  284    HA   GLN  38           HA       GLN  38  -0.641  -9.701   1.629
  285    HB2  GLN  38           2HB      GLN  38  -0.296 -11.872   0.644
  286    HB3  GLN  38           1HB      GLN  38   0.975 -10.784   0.128
  287    HG2  GLN  38           2HG      GLN  38   2.512 -11.787   1.680
  288    HG3  GLN  38           1HG      GLN  38   1.234 -12.808   2.331
  289   HE21  GLN  38          1HE2      GLN  38   2.550 -14.607   1.860
  290   HE22  GLN  38          2HE2      GLN  38   2.654 -15.231   0.249
  291    H    ALA  39           H        ALA  39   1.259 -10.857   4.215
  292    HA   ALA  39           HA       ALA  39  -0.751 -12.608   5.297
  293    HB1  ALA  39           1HB      ALA  39   0.687 -12.740   7.256
  294    HB2  ALA  39           2HB      ALA  39   1.678 -11.420   6.637
  295    HB3  ALA  39           3HB      ALA  39   1.629 -12.961   5.782
  296    H    SER  40           H        SER  40  -1.338  -9.696   4.686
  297    HA   SER  40           HA       SER  40  -2.653  -9.096   7.215
  298    HB2  SER  40           2HB      SER  40  -1.209  -7.049   5.512
  299    HB3  SER  40           1HB      SER  40  -2.107  -6.731   6.989
  300    HG   SER  40           HG       SER  40   0.143  -8.445   6.848
  301    HA   PRO  41           HA       PRO  41  -6.225  -9.031   4.646
  302    HB2  PRO  41           2HB      PRO  41  -7.640  -7.342   6.346
  303    HB3  PRO  41           1HB      PRO  41  -7.607  -9.089   6.423
  304    HG2  PRO  41           2HG      PRO  41  -6.150  -7.135   8.023
  305    HG3  PRO  41           1HG      PRO  41  -6.721  -8.733   8.461
  306    HD2  PRO  41           2HD      PRO  41  -4.117  -8.215   7.993
  307    HD3  PRO  41           1HD      PRO  41  -4.855  -9.784   7.613
  308    H    GLU  42           H        GLU  42  -4.835  -6.149   5.951
  309    HA   GLU  42           HA       GLU  42  -6.278  -4.288   4.494
  310    HB2  GLU  42           2HB      GLU  42  -3.452  -4.136   5.476
  311    HB3  GLU  42           1HB      GLU  42  -4.361  -2.765   4.864
  312    HG2  GLU  42           2HG      GLU  42  -4.417  -2.650   7.211
  313    HG3  GLU  42           1HG      GLU  42  -6.011  -3.160   6.679
  314    H    TYR  43           H        TYR  43  -3.065  -5.554   3.769
  315    HA   TYR  43           HA       TYR  43  -2.775  -4.321   1.282
  316    HB2  TYR  43           2HB      TYR  43  -0.807  -5.139   2.202
  317    HB3  TYR  43           1HB      TYR  43  -1.519  -6.684   2.624
  318    HD1  TYR  43           2HD      TYR  43  -1.691  -8.469   0.920
  319    HD2  TYR  43           1HD      TYR  43   0.117  -4.726   0.014
  320    HE1  TYR  43           2HE      TYR  43  -0.684  -9.454  -1.094
  321    HE2  TYR  43           1HE      TYR  43   1.124  -5.697  -2.005
  322    HH   TYR  43           HH       TYR  43   1.707  -7.763  -2.961
  323    H    GLN  44           H        GLN  44  -4.086  -7.502   2.156
  324    HA   GLN  44           HA       GLN  44  -4.648  -8.490  -0.396
  325    HB2  GLN  44           2HB      GLN  44  -6.385  -8.767   2.056
  326    HB3  GLN  44           1HB      GLN  44  -6.375  -9.828   0.655
  327    HG2  GLN  44           2HG      GLN  44  -3.861  -9.438   2.169
  328    HG3  GLN  44           1HG      GLN  44  -5.137 -10.432   2.849
  329   HE21  GLN  44          1HE2      GLN  44  -4.569 -10.166  -0.579
  330   HE22  GLN  44          2HE2      GLN  44  -3.994 -11.774  -0.805
  331    H    ASP  45           H        ASP  45  -6.798  -6.805   1.811
  332    HA   ASP  45           HA       ASP  45  -9.054  -6.458   0.354
  333    HB2  ASP  45           2HB      ASP  45  -8.705  -5.685   2.686
  334    HB3  ASP  45           1HB      ASP  45  -7.811  -4.305   2.065
  335    H    TYR  46           H        TYR  46  -6.353  -4.152   0.258
  336    HA   TYR  46           HA       TYR  46  -7.577  -2.541  -1.742
  337    HB2  TYR  46           2HB      TYR  46  -5.902  -1.626  -0.184
  338    HB3  TYR  46           1HB      TYR  46  -4.671  -2.630  -0.949
  339    HD1  TYR  46           2HD      TYR  46  -6.980   0.204  -1.496
  340    HD2  TYR  46           1HD      TYR  46  -3.642  -1.967  -2.990
  341    HE1  TYR  46           2HE      TYR  46  -6.586   1.969  -3.160
  342    HE2  TYR  46           1HE      TYR  46  -3.240  -0.211  -4.662
  343    HH   TYR  46           HH       TYR  46  -4.605   1.582  -5.820
  344    H    VAL  47           H        VAL  47  -5.290  -5.170  -1.874
  345    HA   VAL  47           HA       VAL  47  -4.774  -4.767  -4.633
  346    HB   VAL  47           HB       VAL  47  -4.185  -7.077  -2.787
  347   HG11  VAL  47          1HG1      VAL  47  -2.764  -8.029  -4.532
  348   HG12  VAL  47          2HG1      VAL  47  -3.322  -6.791  -5.661
  349   HG13  VAL  47          3HG1      VAL  47  -4.455  -7.989  -5.033
  350   HG21  VAL  47          3HG2      VAL  47  -2.912  -5.058  -2.377
  351   HG22  VAL  47          1HG2      VAL  47  -2.423  -4.998  -4.071
  352   HG23  VAL  47          2HG2      VAL  47  -1.868  -6.315  -3.038
  353    H    TYR  48           H        TYR  48  -7.230  -6.250  -2.829
  354    HA   TYR  48           HA       TYR  48  -8.323  -7.909  -4.877
  355    HB2  TYR  48           2HB      TYR  48  -8.945  -8.548  -2.762
  356    HB3  TYR  48           1HB      TYR  48  -9.075  -6.904  -2.178
  357    HD1  TYR  48           1HD      TYR  48 -10.780  -9.471  -4.214
  358    HD2  TYR  48           2HD      TYR  48 -11.081  -5.786  -2.142
  359    HE1  TYR  48           1HE      TYR  48 -13.234  -9.565  -4.435
  360    HE2  TYR  48           2HE      TYR  48 -13.541  -5.859  -2.346
  361    HH   TYR  48           HH       TYR  48 -15.210  -8.651  -3.278
  362    H    LEU  49           H        LEU  49  -9.272  -4.818  -3.426
  363    HA   LEU  49           HA       LEU  49 -11.338  -4.112  -5.159
  364    HB2  LEU  49           2HB      LEU  49  -9.372  -2.169  -3.980
  365    HB3  LEU  49           1HB      LEU  49 -11.036  -1.855  -4.425
  366    HG   LEU  49           HG       LEU  49 -10.206  -3.729  -2.248
  367   HD11  LEU  49          1HD1      LEU  49  -9.477  -1.502  -1.668
  368   HD12  LEU  49          2HD1      LEU  49 -10.890  -1.931  -0.701
  369   HD13  LEU  49          3HD1      LEU  49 -11.062  -0.845  -2.080
  370   HD21  LEU  49          3HD2      LEU  49 -12.421  -4.158  -3.191
  371   HD22  LEU  49          1HD2      LEU  49 -12.864  -2.471  -2.929
  372   HD23  LEU  49          2HD2      LEU  49 -12.549  -3.524  -1.550
  373    H    GLU  50           H        GLU  50  -8.007  -2.961  -5.221
  374    HA   GLU  50           HA       GLU  50  -8.364  -2.189  -8.023
  375    HB2  GLU  50           2HB      GLU  50  -6.264  -1.508  -5.978
  376    HB3  GLU  50           1HB      GLU  50  -6.095  -1.096  -7.681
  377    HG2  GLU  50           2HG      GLU  50  -8.416  -0.263  -5.975
  378    HG3  GLU  50           1HG      GLU  50  -6.986   0.725  -6.246
  379    H    GLY  51           H        GLY  51  -5.362  -3.240  -6.500
  380    HA2  GLY  51           2HA      GLY  51  -5.073  -5.761  -7.535
  381    HA3  GLY  51           1HA      GLY  51  -4.646  -4.688  -8.861
  382    H    THR  52           H        THR  52  -2.698  -6.266  -8.153
  383    HA   THR  52           HA       THR  52  -1.129  -5.385  -5.955
  384    HB   THR  52           HB       THR  52  -0.179  -6.989  -8.325
  385    HG1  THR  52           1HG      THR  52  -0.973  -8.487  -6.197
  386   HG21  THR  52          3HG2      THR  52   1.539  -6.287  -6.750
  387   HG22  THR  52          1HG2      THR  52   1.285  -8.030  -6.664
  388   HG23  THR  52          2HG2      THR  52   0.610  -6.979  -5.420
  389    H    GLN  53           H        GLN  53  -1.296  -4.606  -9.371
  390    HA   GLN  53           HA       GLN  53   1.291  -3.418  -9.476
  391    HB2  GLN  53           2HB      GLN  53  -0.998  -3.171 -11.416
  392    HB3  GLN  53           1HB      GLN  53   0.690  -2.817 -11.732
  393    HG2  GLN  53           2HG      GLN  53   0.701  -5.398 -10.746
  394    HG3  GLN  53           1HG      GLN  53  -0.697  -5.313 -11.800
  395   HE21  GLN  53          1HE2      GLN  53   0.208  -6.695 -13.285
  396   HE22  GLN  53          2HE2      GLN  53   1.504  -6.218 -14.333
  397    H    LYS  54           H        LYS  54  -2.023  -2.195  -9.208
  398    HA   LYS  54           HA       LYS  54  -1.352   0.541  -9.139
  399    HB2  LYS  54           2HB      LYS  54  -3.649  -0.899  -8.003
  400    HB3  LYS  54           1HB      LYS  54  -3.526   0.835  -8.071
  401    HG2  LYS  54           2HG      LYS  54  -3.128   0.478 -10.559
  402    HG3  LYS  54           1HG      LYS  54  -3.817  -1.105 -10.259
  403    HD2  LYS  54           2HD      LYS  54  -5.677   0.166  -9.076
  404    HD3  LYS  54           1HD      LYS  54  -5.083   1.573  -9.944
  405    HE2  LYS  54           2HE      LYS  54  -5.412   0.411 -12.065
  406    HE3  LYS  54           1HE      LYS  54  -6.001  -1.010 -11.205
  407    HZ1  LYS  54           3HZ      LYS  54  -7.271   1.675 -11.258
  408    HZ2  LYS  54           1HZ      LYS  54  -7.824   0.370 -10.330
  409    HZ3  LYS  54           2HZ      LYS  54  -7.845   0.276 -12.023
  410    H    ALA  55           H        ALA  55  -1.711  -1.896  -6.661
  411    HA   ALA  55           HA       ALA  55  -1.167  -0.242  -4.414
  412    HB1  ALA  55           1HB      ALA  55  -2.202  -2.455  -4.231
  413    HB2  ALA  55           2HB      ALA  55  -0.748  -2.343  -3.238
  414    HB3  ALA  55           3HB      ALA  55  -0.703  -3.208  -4.776
  415    H    LYS  56           H        LYS  56   0.898  -1.879  -6.741
  416    HA   LYS  56           HA       LYS  56   3.321  -1.548  -5.367
  417    HB2  LYS  56           2HB      LYS  56   2.942  -3.085  -7.284
  418    HB3  LYS  56           1HB      LYS  56   2.788  -1.694  -8.341
  419    HG2  LYS  56           2HG      LYS  56   5.015  -1.086  -8.000
  420    HG3  LYS  56           1HG      LYS  56   5.241  -2.251  -6.709
  421    HD2  LYS  56           2HD      LYS  56   4.890  -4.073  -8.333
  422    HD3  LYS  56           1HD      LYS  56   4.742  -2.885  -9.614
  423    HE2  LYS  56           2HE      LYS  56   7.023  -2.147  -9.249
  424    HE3  LYS  56           1HE      LYS  56   7.180  -3.258  -7.888
  425    HZ1  LYS  56           3HZ      LYS  56   6.766  -5.095  -9.481
  426    HZ2  LYS  56           1HZ      LYS  56   8.197  -4.238  -9.797
  427    HZ3  LYS  56           2HZ      LYS  56   6.822  -3.972 -10.747
  428    H    LYS  57           H        LYS  57   1.831   0.287  -8.048
  429    HA   LYS  57           HA       LYS  57   3.431   2.490  -8.094
  430    HB2  LYS  57           2HB      LYS  57   0.454   2.170  -8.435
  431    HB3  LYS  57           1HB      LYS  57   1.334   3.604  -8.872
  432    HG2  LYS  57           2HG      LYS  57   1.801   0.883 -10.011
  433    HG3  LYS  57           1HG      LYS  57   0.934   2.203 -10.802
  434    HD2  LYS  57           2HD      LYS  57   2.964   3.563 -10.762
  435    HD3  LYS  57           1HD      LYS  57   3.817   2.248  -9.965
  436    HE2  LYS  57           2HE      LYS  57   3.612   0.842 -11.841
  437    HE3  LYS  57           1HE      LYS  57   2.488   1.951 -12.590
  438    HZ1  LYS  57           3HZ      LYS  57   4.429   2.457 -13.683
  439    HZ2  LYS  57           1HZ      LYS  57   5.401   2.173 -12.320
  440    HZ3  LYS  57           2HZ      LYS  57   4.478   3.591 -12.429
  441    H    LEU  58           H        LEU  58   0.772   1.766  -5.877
  442    HA   LEU  58           HA       LEU  58   0.764   4.238  -4.465
  443    HB2  LEU  58           2HB      LEU  58  -1.069   2.502  -4.474
  444    HB3  LEU  58           1HB      LEU  58  -0.045   1.476  -3.512
  445    HG   LEU  58           HG       LEU  58  -0.420   2.649  -1.601
  446   HD11  LEU  58          1HD1      LEU  58  -1.103   4.987  -1.461
  447   HD12  LEU  58          2HD1      LEU  58  -1.176   5.084  -3.221
  448   HD13  LEU  58          3HD1      LEU  58   0.374   4.835  -2.413
  449   HD21  LEU  58          3HD2      LEU  58  -2.875   3.293  -3.212
  450   HD22  LEU  58          1HD2      LEU  58  -2.777   3.158  -1.454
  451   HD23  LEU  58          2HD2      LEU  58  -2.523   1.733  -2.466
  452    H    PHE  59           H        PHE  59   2.341   1.098  -3.835
  453    HA   PHE  59           HA       PHE  59   3.846   1.788  -1.608
  454    HB2  PHE  59           2HB      PHE  59   3.903  -0.475  -2.351
  455    HB3  PHE  59           1HB      PHE  59   4.461  -0.022  -3.951
  456    HD1  PHE  59           2HD      PHE  59   5.520   0.129  -0.381
  457    HD2  PHE  59           1HD      PHE  59   6.722  -0.282  -4.455
  458    HE1  PHE  59           2HE      PHE  59   7.834  -0.288   0.336
  459    HE2  PHE  59           1HE      PHE  59   9.029  -0.690  -3.729
  460    HZ   PHE  59           HZ       PHE  59   9.589  -0.696  -1.335
  461    H    LEU  60           H        LEU  60   4.663   2.197  -5.037
  462    HA   LEU  60           HA       LEU  60   7.115   3.471  -4.810
  463    HB2  LEU  60           2HB      LEU  60   4.946   3.501  -6.843
  464    HB3  LEU  60           1HB      LEU  60   6.195   4.710  -6.966
  465    HG   LEU  60           HG       LEU  60   6.599   2.844  -8.387
  466   HD11  LEU  60          1HD1      LEU  60   8.894   2.372  -7.765
  467   HD12  LEU  60          2HD1      LEU  60   8.553   2.845  -6.100
  468   HD13  LEU  60          3HD1      LEU  60   8.507   4.053  -7.389
  469   HD21  LEU  60          3HD2      LEU  60   5.496   1.072  -7.189
  470   HD22  LEU  60          1HD2      LEU  60   6.704   1.163  -5.907
  471   HD23  LEU  60          2HD2      LEU  60   7.172   0.629  -7.522
  472    H    GLN  61           H        GLN  61   3.944   5.066  -5.184
  473    HA   GLN  61           HA       GLN  61   4.946   7.652  -4.911
  474    HB2  GLN  61           2HB      GLN  61   2.595   8.326  -4.363
  475    HB3  GLN  61           1HB      GLN  61   2.807   7.455  -5.866
  476    HG2  GLN  61           2HG      GLN  61   2.019   5.447  -4.779
  477    HG3  GLN  61           1HG      GLN  61   1.799   6.332  -3.274
  478   HE21  GLN  61          1HE2      GLN  61   0.170   7.863  -3.138
  479   HE22  GLN  61          2HE2      GLN  61  -1.152   7.889  -4.248
  480    H    HIS  62           H        HIS  62   3.813   5.431  -2.401
  481    HA   HIS  62           HA       HIS  62   4.090   7.328  -0.269
  482    HB2  HIS  62           2HB      HIS  62   2.906   5.040  -0.110
  483    HB3  HIS  62           1HB      HIS  62   4.506   4.340   0.027
  484    HD1  HIS  62           1HD      HIS  62   5.374   4.162   2.350
  485    HD2  HIS  62           2HD      HIS  62   2.407   7.067   1.945
  486    HE1  HIS  62           1HE      HIS  62   4.941   5.037   4.626
  487    HE2  HIS  62           2HE      HIS  62   3.221   6.853   4.387
  488    H    ILE  63           H        ILE  63   6.254   4.934  -1.717
  489    HA   ILE  63           HA       ILE  63   8.502   5.240  -0.183
  490    HB   ILE  63           HB       ILE  63   8.280   5.002  -3.166
  491   HG12  ILE  63          2HG1      ILE  63   7.492   3.058  -2.084
  492   HG13  ILE  63          1HG1      ILE  63   9.126   2.706  -2.587
  493   HG21  ILE  63          1HG2      ILE  63  10.390   5.980  -2.921
  494   HG22  ILE  63          2HG2      ILE  63  10.715   4.247  -2.988
  495   HG23  ILE  63          3HG2      ILE  63  10.731   5.092  -1.438
  496   HD11  ILE  63          3HD1      ILE  63   8.660   1.842  -0.378
  497   HD12  ILE  63          1HD1      ILE  63   8.322   3.480   0.180
  498   HD13  ILE  63          2HD1      ILE  63   9.946   3.050  -0.357
  499    H    HIS  64           H        HIS  64   7.421   7.258  -2.849
  500    HA   HIS  64           HA       HIS  64   9.444   9.173  -2.944
  501    HB2  HIS  64           2HB      HIS  64   7.769   9.094  -4.659
  502    HB3  HIS  64           1HB      HIS  64   6.485   9.272  -3.502
  503    HD1  HIS  64           1HD      HIS  64   7.065  11.576  -2.066
  504    HD2  HIS  64           2HD      HIS  64   7.895  11.405  -6.103
  505    HE1  HIS  64           1HE      HIS  64   7.169  13.996  -2.827
  506    HE2  HIS  64           2HE      HIS  64   7.807  13.861  -5.269
  507    H    ARG  65           H        ARG  65   6.370   9.262  -1.246
  508    HA   ARG  65           HA       ARG  65   6.632  11.600   0.125
  509    HB2  ARG  65           2HB      ARG  65   5.314   9.061   0.653
  510    HB3  ARG  65           1HB      ARG  65   5.033  10.460   1.617
  511    HG2  ARG  65           2HG      ARG  65   4.358  11.649  -0.283
  512    HG3  ARG  65           1HG      ARG  65   4.694  10.284  -1.324
  513    HD2  ARG  65           2HD      ARG  65   3.058   8.994  -0.215
  514    HD3  ARG  65           1HD      ARG  65   2.757  10.281   0.941
  515    HE   ARG  65           HE       ARG  65   2.055  10.358  -1.926
  516   HH11  ARG  65          1HH1      ARG  65   1.675  11.647   1.326
  517   HH12  ARG  65          2HH1      ARG  65   0.200  12.494   0.946
  518   HH21  ARG  65          1HH2      ARG  65   0.137  11.507  -2.419
  519   HH22  ARG  65          2HH2      ARG  65  -0.663  12.420  -1.172
  520    H    LEU  66           H        LEU  66   7.552   8.398   1.109
  521    HA   LEU  66           HA       LEU  66   8.613   8.839   3.637
  522    HB2  LEU  66           2HB      LEU  66   9.428   6.911   1.499
  523    HB3  LEU  66           1HB      LEU  66   9.948   6.775   3.150
  524    HG   LEU  66           HG       LEU  66   7.127   6.727   2.190
  525   HD11  LEU  66          1HD1      LEU  66   8.319   4.734   1.498
  526   HD12  LEU  66          2HD1      LEU  66   7.201   4.340   2.806
  527   HD13  LEU  66          3HD1      LEU  66   8.926   4.505   3.138
  528   HD21  LEU  66          3HD2      LEU  66   8.323   6.249   4.901
  529   HD22  LEU  66          1HD2      LEU  66   6.623   6.023   4.487
  530   HD23  LEU  66          2HD2      LEU  66   7.346   7.632   4.417
  531    H    LYS  67           H        LYS  67  10.122   9.097   0.527
  532    HA   LYS  67           HA       LYS  67  12.725   9.810   1.540
  533    HB2  LYS  67           2HB      LYS  67  11.893  10.638  -1.206
  534    HB3  LYS  67           1HB      LYS  67  13.414   9.946  -0.671
  535    HG2  LYS  67           2HG      LYS  67  12.136   7.826  -0.357
  536    HG3  LYS  67           1HG      LYS  67  10.809   8.588  -1.184
  537    HD2  LYS  67           2HD      LYS  67  13.483   8.588  -2.473
  538    HD3  LYS  67           1HD      LYS  67  12.528   7.099  -2.440
  539    HE2  LYS  67           2HE      LYS  67  10.777   8.047  -3.635
  540    HE3  LYS  67           1HE      LYS  67  11.304   9.689  -3.272
  541    HZ1  LYS  67           3HZ      LYS  67  13.274   9.230  -4.724
  542    HZ2  LYS  67           1HZ      LYS  67  11.790   9.225  -5.547
  543    HZ3  LYS  67           2HZ      LYS  67  12.555   7.757  -5.168
  544    H    HIS  68           H        HIS  68  10.056  11.626   0.092
  545    HA   HIS  68           HA       HIS  68  10.736  14.021   1.381
  546    HB2  HIS  68           2HB      HIS  68  11.225  15.274  -0.719
  547    HB3  HIS  68           1HB      HIS  68  12.483  14.192  -0.188
  548    HD1  HIS  68           1HD      HIS  68  10.018  12.188  -1.700
  549    HD2  HIS  68           2HD      HIS  68  13.040  14.641  -3.128
  550    HE1  HIS  68           1HE      HIS  68  10.474  11.396  -4.055
  551    HE2  HIS  68           2HE      HIS  68  12.401  12.810  -4.851
  552    H    GLU  69           H        GLU  69   8.583  13.979   1.990
  553    HA   GLU  69           HA       GLU  69   6.648  14.286  -0.176
  554    HB2  GLU  69           2HB      GLU  69   6.357  12.800   1.962
  555    HB3  GLU  69           1HB      GLU  69   5.844  14.314   2.672
  556    HG2  GLU  69           2HG      GLU  69   4.356  14.411   0.546
  557    HG3  GLU  69           1HG      GLU  69   4.599  12.682   0.543
  Start of MODEL    8
    1    H    SER   5           H        SER   5 -18.662   4.681  -2.877
    2    HA   SER   5           HA       SER   5 -16.338   3.322  -4.024
    3    HB2  SER   5           2HB      SER   5 -15.054   5.488  -3.868
    4    HB3  SER   5           1HB      SER   5 -16.295   5.461  -5.122
    5    HG   SER   5           HG       SER   5 -17.256   7.048  -4.154
    6    H    GLN   6           H        GLN   6 -18.080   3.403  -1.485
    7    HA   GLN   6           HA       GLN   6 -16.308   4.328   0.568
    8    HB2  GLN   6           2HB      GLN   6 -17.984   3.405   2.140
    9    HB3  GLN   6           1HB      GLN   6 -18.682   4.495   0.957
   10    HG2  GLN   6           2HG      GLN   6 -18.777   1.496   0.722
   11    HG3  GLN   6           1HG      GLN   6 -20.035   2.461   1.488
   12   HE21  GLN   6          1HE2      GLN   6 -20.221   0.732  -0.820
   13   HE22  GLN   6          2HE2      GLN   6 -20.784   1.719  -2.129
   14    H    GLN   7           H        GLN   7 -14.625   2.967  -0.479
   15    HA   GLN   7           HA       GLN   7 -13.748   1.027   1.317
   16    HB2  GLN   7           2HB      GLN   7 -15.495  -0.351   0.134
   17    HB3  GLN   7           1HB      GLN   7 -14.542  -0.195  -1.324
   18    HG2  GLN   7           2HG      GLN   7 -14.216  -2.300  -0.112
   19    HG3  GLN   7           1HG      GLN   7 -12.759  -1.371  -0.332
   20   HE21  GLN   7          1HE2      GLN   7 -11.776  -2.535   1.366
   21   HE22  GLN   7          2HE2      GLN   7 -12.162  -2.178   3.016
   22    H    ILE   8           H        ILE   8 -13.733   2.111  -2.017
   23    HA   ILE   8           HA       ILE   8 -11.095   1.555  -2.694
   24    HB   ILE   8           HB       ILE   8 -12.743   3.911  -3.621
   25   HG12  ILE   8          2HG1      ILE   8 -12.459   1.172  -4.847
   26   HG13  ILE   8          1HG1      ILE   8 -13.850   1.722  -3.937
   27   HG21  ILE   8          1HG2      ILE   8 -11.356   3.832  -5.621
   28   HG22  ILE   8          2HG2      ILE   8 -10.403   2.536  -4.908
   29   HG23  ILE   8          3HG2      ILE   8 -10.387   4.144  -4.180
   30   HD11  ILE   8          3HD1      ILE   8 -14.281   3.437  -5.605
   31   HD12  ILE   8          1HD1      ILE   8 -14.257   1.828  -6.327
   32   HD13  ILE   8          2HD1      ILE   8 -12.869   2.900  -6.515
   33    H    ALA   9           H        ALA   9 -12.436   4.067  -0.754
   34    HA   ALA   9           HA       ALA   9 -10.041   5.685  -0.817
   35    HB1  ALA   9           1HB      ALA   9 -12.235   6.762  -0.727
   36    HB2  ALA   9           2HB      ALA   9 -11.242   7.195   0.665
   37    HB3  ALA   9           3HB      ALA   9 -12.534   6.007   0.837
   38    H    THR  10           H        THR  10 -11.889   4.154   1.739
   39    HA   THR  10           HA       THR  10  -9.997   4.480   3.758
   40    HB   THR  10           HB       THR  10 -11.378   2.671   4.901
   41    HG1  THR  10           1HG      THR  10 -12.983   1.803   3.800
   42   HG21  THR  10          3HG2      THR  10 -13.235   4.236   5.269
   43   HG22  THR  10          1HG2      THR  10 -12.711   5.173   3.868
   44   HG23  THR  10          2HG2      THR  10 -11.679   5.063   5.294
   45    H    ALA  11           H        ALA  11 -10.556   1.704   1.580
   46    HA   ALA  11           HA       ALA  11  -8.733  -0.022   2.907
   47    HB1  ALA  11           1HB      ALA  11  -9.537  -0.046   0.000
   48    HB2  ALA  11           2HB      ALA  11 -10.382  -0.876   1.308
   49    HB3  ALA  11           3HB      ALA  11  -8.743  -1.358   0.870
   50    H    LYS  12           H        LYS  12  -8.402   2.312   0.292
   51    HA   LYS  12           HA       LYS  12  -5.651   1.874  -0.210
   52    HB2  LYS  12           2HB      LYS  12  -7.091   3.094  -1.775
   53    HB3  LYS  12           1HB      LYS  12  -7.326   4.364  -0.588
   54    HG2  LYS  12           2HG      LYS  12  -5.008   4.979  -0.709
   55    HG3  LYS  12           1HG      LYS  12  -4.667   3.623  -1.781
   56    HD2  LYS  12           2HD      LYS  12  -6.040   4.581  -3.510
   57    HD3  LYS  12           1HD      LYS  12  -6.565   5.874  -2.428
   58    HE2  LYS  12           2HE      LYS  12  -3.687   5.426  -3.190
   59    HE3  LYS  12           1HE      LYS  12  -4.761   6.486  -4.093
   60    HZ1  LYS  12           3HZ      LYS  12  -3.914   6.780  -1.258
   61    HZ2  LYS  12           1HZ      LYS  12  -5.138   7.712  -1.972
   62    HZ3  LYS  12           2HZ      LYS  12  -3.550   7.807  -2.555
   63    H    ASP  13           H        ASP  13  -7.426   4.112   1.814
   64    HA   ASP  13           HA       ASP  13  -5.350   5.566   2.962
   65    HB2  ASP  13           2HB      ASP  13  -7.835   5.976   3.217
   66    HB3  ASP  13           1HB      ASP  13  -7.884   4.624   4.341
   67    H    LYS  14           H        LYS  14  -6.871   2.578   4.297
   68    HA   LYS  14           HA       LYS  14  -4.994   2.257   6.334
   69    HB2  LYS  14           2HB      LYS  14  -7.189   0.797   5.252
   70    HB3  LYS  14           1HB      LYS  14  -5.828  -0.302   5.443
   71    HG2  LYS  14           2HG      LYS  14  -6.894  -0.449   7.459
   72    HG3  LYS  14           1HG      LYS  14  -5.628   0.719   7.797
   73    HD2  LYS  14           2HD      LYS  14  -7.703   1.485   8.770
   74    HD3  LYS  14           1HD      LYS  14  -7.266   2.535   7.420
   75    HE2  LYS  14           2HE      LYS  14  -9.671   1.949   7.456
   76    HE3  LYS  14           1HE      LYS  14  -8.853   1.429   5.983
   77    HZ1  LYS  14           3HZ      LYS  14  -9.288  -0.375   8.296
   78    HZ2  LYS  14           1HZ      LYS  14  -8.830  -0.798   6.719
   79    HZ3  LYS  14           2HZ      LYS  14 -10.398  -0.231   7.027
   80    H    TYR  15           H        TYR  15  -5.096   0.848   3.054
   81    HA   TYR  15           HA       TYR  15  -2.784  -0.669   3.166
   82    HB2  TYR  15           2HB      TYR  15  -4.202  -0.801   1.227
   83    HB3  TYR  15           1HB      TYR  15  -3.917   0.897   0.840
   84    HD1  TYR  15           1HD      TYR  15  -2.392  -2.444   0.976
   85    HD2  TYR  15           2HD      TYR  15  -1.918   1.603  -0.328
   86    HE1  TYR  15           1HE      TYR  15  -0.427  -3.098  -0.345
   87    HE2  TYR  15           2HE      TYR  15   0.039   0.935  -1.648
   88    HH   TYR  15           HH       TYR  15   0.829  -2.246  -2.320
   89    H    GLU  16           H        GLU  16  -3.165   2.721   2.352
   90    HA   GLU  16           HA       GLU  16  -0.560   3.416   1.831
   91    HB2  GLU  16           2HB      GLU  16  -3.048   4.733   2.638
   92    HB3  GLU  16           1HB      GLU  16  -1.606   5.619   3.033
   93    HG2  GLU  16           2HG      GLU  16  -0.924   5.140   0.602
   94    HG3  GLU  16           1HG      GLU  16  -2.636   4.816   0.388
   95    H    TRP  17           H        TRP  17  -2.227   3.198   4.986
   96    HA   TRP  17           HA       TRP  17   0.110   3.870   6.471
   97    HB2  TRP  17           2HB      TRP  17  -1.786   4.027   7.801
   98    HB3  TRP  17           1HB      TRP  17  -2.472   2.571   7.146
   99    HD1  TRP  17           HD       TRP  17   0.647   3.303   9.233
  100    HE1  TRP  17           1HE      TRP  17   0.800   1.557  11.099
  101    HE3  TRP  17           3HE      TRP  17  -3.245   0.599   7.886
  102    HZ2  TRP  17           2HZ      TRP  17  -0.669  -0.748  11.879
  103    HZ3  TRP  17           3HZ      TRP  17  -3.888  -1.404   9.200
  104    HH2  TRP  17           HH       TRP  17  -2.580  -2.050  11.155
  105    H    LEU  18           H        LEU  18  -1.318   0.865   5.291
  106    HA   LEU  18           HA       LEU  18   0.184  -0.913   6.741
  107    HB2  LEU  18           2HB      LEU  18  -1.092  -0.997   4.042
  108    HB3  LEU  18           1HB      LEU  18   0.089  -2.239   4.365
  109    HG   LEU  18           HG       LEU  18  -2.301  -2.908   4.730
  110   HD11  LEU  18          1HD1      LEU  18  -0.455  -4.127   5.756
  111   HD12  LEU  18          2HD1      LEU  18  -1.850  -4.076   6.835
  112   HD13  LEU  18          3HD1      LEU  18  -0.468  -3.021   7.129
  113   HD21  LEU  18          3HD2      LEU  18  -3.115  -0.831   5.680
  114   HD22  LEU  18          1HD2      LEU  18  -2.083  -1.057   7.092
  115   HD23  LEU  18          2HD2      LEU  18  -3.397  -2.187   6.772
  116    H    VAL  19           H        VAL  19   0.912   0.476   3.543
  117    HA   VAL  19           HA       VAL  19   3.516  -0.492   3.244
  118    HB   VAL  19           HB       VAL  19   2.258   2.056   2.210
  119   HG11  VAL  19          1HG1      VAL  19   4.952   0.898   1.491
  120   HG12  VAL  19          2HG1      VAL  19   4.678   2.392   2.388
  121   HG13  VAL  19          3HG1      VAL  19   4.170   2.271   0.704
  122   HG21  VAL  19          3HG2      VAL  19   1.388  -0.059   1.322
  123   HG22  VAL  19          1HG2      VAL  19   3.026  -0.510   0.843
  124   HG23  VAL  19          2HG2      VAL  19   2.240   0.884   0.094
  125    H    SER  20           H        SER  20   2.364   2.447   4.896
  126    HA   SER  20           HA       SER  20   5.016   3.317   5.476
  127    HB2  SER  20           2HB      SER  20   4.000   5.052   6.727
  128    HB3  SER  20           1HB      SER  20   2.997   4.794   5.316
  129    HG   SER  20           HG       SER  20   1.962   3.222   7.071
  130    H    ARG  21           H        ARG  21   2.893   1.050   6.922
  131    HA   ARG  21           HA       ARG  21   4.061   1.187   9.499
  132    HB2  ARG  21           2HB      ARG  21   2.298  -0.059  10.176
  133    HB3  ARG  21           1HB      ARG  21   1.592   0.454   8.656
  134    HG2  ARG  21           2HG      ARG  21   2.245  -1.514   7.634
  135    HG3  ARG  21           1HG      ARG  21   3.184  -2.028   9.005
  136    HD2  ARG  21           2HD      ARG  21   1.132  -2.152  10.350
  137    HD3  ARG  21           1HD      ARG  21   0.197  -1.688   8.930
  138    HE   ARG  21           HE       ARG  21   1.235  -3.823   7.943
  139   HH11  ARG  21          1HH1      ARG  21   0.449  -3.418  11.321
  140   HH12  ARG  21          2HH1      ARG  21   0.021  -5.081  11.557
  141   HH21  ARG  21          1HH2      ARG  21   0.648  -6.029   8.244
  142   HH22  ARG  21          2HH2      ARG  21   0.107  -6.558   9.811
  143    H    ILE  22           H        ILE  22   4.634  -0.334   6.563
  144    HA   ILE  22           HA       ILE  22   6.520  -2.228   7.805
  145    HB   ILE  22           HB       ILE  22   5.572  -2.212   4.946
  146   HG12  ILE  22          2HG1      ILE  22   3.736  -2.711   6.515
  147   HG13  ILE  22          1HG1      ILE  22   4.194  -4.112   5.570
  148   HG21  ILE  22          1HG2      ILE  22   7.726  -3.237   5.167
  149   HG22  ILE  22          2HG2      ILE  22   6.525  -4.516   4.973
  150   HG23  ILE  22          3HG2      ILE  22   7.194  -4.169   6.565
  151   HD11  ILE  22          3HD1      ILE  22   3.732  -4.701   7.865
  152   HD12  ILE  22          1HD1      ILE  22   4.993  -3.593   8.410
  153   HD13  ILE  22          2HD1      ILE  22   5.418  -5.013   7.451
  154    H    VAL  23           H        VAL  23   6.298  -0.369   4.806
  155    HA   VAL  23           HA       VAL  23   9.117  -0.133   4.454
  156    HB   VAL  23           HB       VAL  23   6.840   1.329   3.104
  157   HG11  VAL  23          1HG1      VAL  23   8.426   1.617   1.264
  158   HG12  VAL  23          2HG1      VAL  23   9.678   0.800   2.201
  159   HG13  VAL  23          3HG1      VAL  23   9.043   2.354   2.744
  160   HG21  VAL  23          3HG2      VAL  23   8.204  -1.255   2.360
  161   HG22  VAL  23          1HG2      VAL  23   6.993  -0.411   1.396
  162   HG23  VAL  23          2HG2      VAL  23   6.558  -1.079   2.967
  163    H    LYS  24           H        LYS  24  10.004   0.896   6.177
  164    HA   LYS  24           HA       LYS  24   9.130   3.533   6.997
  165    HB2  LYS  24           2HB      LYS  24  11.370   1.755   7.826
  166    HB3  LYS  24           1HB      LYS  24  11.161   3.360   8.479
  167    HG2  LYS  24           2HG      LYS  24   9.536   0.898   8.859
  168    HG3  LYS  24           1HG      LYS  24  10.234   1.999  10.031
  169    HD2  LYS  24           2HD      LYS  24   8.646   3.711   9.349
  170    HD3  LYS  24           1HD      LYS  24   7.955   2.550   8.215
  171    HE2  LYS  24           2HE      LYS  24   7.900   2.523  11.211
  172    HE3  LYS  24           1HE      LYS  24   6.575   2.419  10.071
  173    HZ1  LYS  24           3HZ      LYS  24   7.306   0.205   9.452
  174    HZ2  LYS  24           1HZ      LYS  24   6.976   0.293  11.110
  175    HZ3  LYS  24           2HZ      LYS  24   8.576   0.301  10.563
  176    H    ASN  25           H        ASN  25  12.222   2.167   6.049
  177    HA   ASN  25           HA       ASN  25  13.340   4.759   5.520
  178    HB2  ASN  25           2HB      ASN  25  15.420   3.423   5.026
  179    HB3  ASN  25           1HB      ASN  25  14.737   3.177   6.630
  180   HD21  ASN  25          1HD2      ASN  25  15.837   1.190   6.752
  181   HD22  ASN  25          2HD2      ASN  25  15.258  -0.216   5.926
  182    H    HIS  26           H        HIS  26  11.351   3.253   3.568
  183    HA   HIS  26           HA       HIS  26  11.027   2.788   1.391
  184    HB2  HIS  26           2HB      HIS  26  11.474   4.485  -0.170
  185    HB3  HIS  26           1HB      HIS  26  11.220   5.298   1.339
  186    HD1  HIS  26           1HD      HIS  26  12.494   7.333   0.933
  187    HD2  HIS  26           2HD      HIS  26  14.744   3.970   0.087
  188    HE1  HIS  26           1HE      HIS  26  14.813   8.190   0.474
  189    HE2  HIS  26           2HE      HIS  26  16.134   6.133  -0.186
  190    H    ASN  27           H        ASN  27  13.737   1.789   2.666
  191    HA   ASN  27           HA       ASN  27  15.252   1.297   0.228
  192    HB2  ASN  27           2HB      ASN  27  15.788   0.546   3.090
  193    HB3  ASN  27           1HB      ASN  27  16.835   0.170   1.756
  194   HD21  ASN  27          1HD2      ASN  27  16.342   2.815   0.527
  195   HD22  ASN  27          2HD2      ASN  27  17.238   3.897   1.504
  196    H    GLU  28           H        GLU  28  12.637   0.203   0.740
  197    HA   GLU  28           HA       GLU  28  13.019  -2.645   1.134
  198    HB2  GLU  28           2HB      GLU  28  10.584  -0.906   0.791
  199    HB3  GLU  28           1HB      GLU  28  10.506  -2.655   0.874
  200    HG2  GLU  28           2HG      GLU  28  11.619  -0.890   3.018
  201    HG3  GLU  28           1HG      GLU  28   9.993  -1.550   3.007
  202    H    ASN  29           H        ASN  29  11.396  -3.926  -0.340
  203    HA   ASN  29           HA       ASN  29  11.536  -3.047  -3.137
  204    HB2  ASN  29           2HB      ASN  29  13.415  -4.644  -2.719
  205    HB3  ASN  29           1HB      ASN  29  12.243  -5.846  -2.195
  206   HD21  ASN  29          1HD2      ASN  29  14.186  -5.858  -4.396
  207   HD22  ASN  29          2HD2      ASN  29  13.270  -6.190  -5.828
  208    H    TRP  30           H        TRP  30   9.569  -3.138  -3.998
  209    HA   TRP  30           HA       TRP  30   7.288  -3.362  -2.620
  210    HB2  TRP  30           2HB      TRP  30   7.076  -2.421  -4.711
  211    HB3  TRP  30           1HB      TRP  30   7.820  -3.781  -5.515
  212    HD1  TRP  30           HD       TRP  30   6.202  -5.086  -6.790
  213    HE1  TRP  30           1HE      TRP  30   3.702  -5.733  -6.629
  214    HE3  TRP  30           3HE      TRP  30   5.123  -2.651  -2.522
  215    HZ2  TRP  30           2HZ      TRP  30   1.543  -5.217  -4.847
  216    HZ3  TRP  30           3HZ      TRP  30   2.851  -2.740  -1.631
  217    HH2  TRP  30           HH       TRP  30   1.088  -4.003  -2.761
  218    H    LEU  31           H        LEU  31   8.533  -6.076  -4.546
  219    HA   LEU  31           HA       LEU  31   6.350  -7.752  -4.082
  220    HB2  LEU  31           2HB      LEU  31   9.200  -8.297  -4.836
  221    HB3  LEU  31           1HB      LEU  31   7.950  -9.523  -4.820
  222    HG   LEU  31           HG       LEU  31   8.204  -8.807  -7.026
  223   HD11  LEU  31          1HD1      LEU  31   5.921  -9.200  -6.397
  224   HD12  LEU  31          2HD1      LEU  31   6.005  -7.916  -7.604
  225   HD13  LEU  31          3HD1      LEU  31   5.756  -7.514  -5.905
  226   HD21  LEU  31          3HD2      LEU  31   7.743  -5.961  -6.250
  227   HD22  LEU  31          1HD2      LEU  31   8.125  -6.582  -7.853
  228   HD23  LEU  31          2HD2      LEU  31   9.333  -6.657  -6.570
  229    H    SER  32           H        SER  32   9.598  -7.864  -2.659
  230    HA   SER  32           HA       SER  32   9.149  -9.743  -0.687
  231    HB2  SER  32           2HB      SER  32  10.855  -7.379  -0.139
  232    HB3  SER  32           1HB      SER  32  11.160  -9.062   0.227
  233    HG   SER  32           HG       SER  32  11.612  -9.449  -1.910
  234    H    VAL  33           H        VAL  33   8.393  -6.277  -0.637
  235    HA   VAL  33           HA       VAL  33   7.623  -6.258   2.124
  236    HB   VAL  33           HB       VAL  33   6.591  -4.349   0.013
  237   HG11  VAL  33          1HG1      VAL  33   5.569  -4.292   2.275
  238   HG12  VAL  33          2HG1      VAL  33   6.389  -2.796   1.824
  239   HG13  VAL  33          3HG1      VAL  33   7.166  -3.924   2.931
  240   HG21  VAL  33          3HG2      VAL  33   9.011  -4.486  -0.188
  241   HG22  VAL  33          1HG2      VAL  33   9.172  -4.198   1.545
  242   HG23  VAL  33          2HG2      VAL  33   8.513  -2.938   0.498
  243    H    SER  34           H        SER  34   6.029  -6.998  -0.887
  244    HA   SER  34           HA       SER  34   3.367  -7.081   0.123
  245    HB2  SER  34           2HB      SER  34   4.586  -8.611  -2.205
  246    HB3  SER  34           1HB      SER  34   2.874  -8.286  -1.954
  247    HG   SER  34           HG       SER  34   4.859  -6.284  -2.289
  248    H    ARG  35           H        ARG  35   6.015  -9.390  -0.093
  249    HA   ARG  35           HA       ARG  35   4.921 -11.724   0.821
  250    HB2  ARG  35           2HB      ARG  35   7.528 -10.394   1.488
  251    HB3  ARG  35           1HB      ARG  35   7.174 -12.080   1.606
  252    HG2  ARG  35           2HG      ARG  35   6.983 -10.615  -0.910
  253    HG3  ARG  35           1HG      ARG  35   8.426 -11.439  -0.369
  254    HD2  ARG  35           2HD      ARG  35   7.036 -13.458  -0.102
  255    HD3  ARG  35           1HD      ARG  35   5.737 -12.621  -0.928
  256    HE   ARG  35           HE       ARG  35   7.560 -12.394  -2.774
  257   HH11  ARG  35          1HH1      ARG  35   7.005 -15.155  -0.694
  258   HH12  ARG  35          2HH1      ARG  35   7.562 -16.312  -1.871
  259   HH21  ARG  35          1HH2      ARG  35   8.281 -13.912  -4.320
  260   HH22  ARG  35          2HH2      ARG  35   8.260 -15.605  -3.939
  261    H    LYS  36           H        LYS  36   6.505  -9.204   2.607
  262    HA   LYS  36           HA       LYS  36   5.852  -9.788   5.220
  263    HB2  LYS  36           2HB      LYS  36   6.001  -7.071   3.916
  264    HB3  LYS  36           1HB      LYS  36   6.233  -7.413   5.609
  265    HG2  LYS  36           2HG      LYS  36   8.118  -8.841   4.967
  266    HG3  LYS  36           1HG      LYS  36   7.975  -8.245   3.345
  267    HD2  LYS  36           2HD      LYS  36   8.364  -6.012   4.148
  268    HD3  LYS  36           1HD      LYS  36   8.491  -6.589   5.802
  269    HE2  LYS  36           2HE      LYS  36  10.416  -7.961   5.148
  270    HE3  LYS  36           1HE      LYS  36  10.298  -7.341   3.504
  271    HZ1  LYS  36           3HZ      LYS  36  10.862  -5.166   4.242
  272    HZ2  LYS  36           1HZ      LYS  36  11.996  -6.231   4.916
  273    HZ3  LYS  36           2HZ      LYS  36  10.748  -5.612   5.878
  274    H    MET  37           H        MET  37   4.243  -7.576   3.092
  275    HA   MET  37           HA       MET  37   2.174  -6.861   4.868
  276    HB2  MET  37           2HB      MET  37   2.837  -6.318   2.041
  277    HB3  MET  37           1HB      MET  37   1.204  -5.954   2.560
  278    HG2  MET  37           2HG      MET  37   2.331  -4.673   4.492
  279    HG3  MET  37           1HG      MET  37   3.788  -4.804   3.517
  280    HE1  MET  37           3HE      MET  37   4.087  -3.690   1.094
  281    HE2  MET  37           1HE      MET  37   2.748  -2.934   0.233
  282    HE3  MET  37           2HE      MET  37   2.701  -4.660   0.597
  283    H    GLN  38           H        GLN  38   2.267  -9.575   2.703
  284    HA   GLN  38           HA       GLN  38  -0.390  -9.642   1.869
  285    HB2  GLN  38           2HB      GLN  38  -0.058 -12.109   1.573
  286    HB3  GLN  38           1HB      GLN  38   1.106 -11.071   0.787
  287    HG2  GLN  38           2HG      GLN  38   2.381 -12.788   1.627
  288    HG3  GLN  38           1HG      GLN  38   2.605 -11.491   2.790
  289   HE21  GLN  38          1HE2      GLN  38   3.215 -12.884   4.402
  290   HE22  GLN  38          2HE2      GLN  38   2.094 -13.935   5.210
  291    H    ALA  39           H        ALA  39   1.011 -10.745   4.842
  292    HA   ALA  39           HA       ALA  39  -1.402 -12.015   5.764
  293    HB1  ALA  39           1HB      ALA  39   0.820 -12.775   6.494
  294    HB2  ALA  39           2HB      ALA  39  -0.224 -12.349   7.851
  295    HB3  ALA  39           3HB      ALA  39   1.052 -11.244   7.339
  296    H    SER  40           H        SER  40  -1.965  -9.433   4.960
  297    HA   SER  40           HA       SER  40  -2.943  -8.280   7.448
  298    HB2  SER  40           2HB      SER  40  -1.745  -6.586   5.256
  299    HB3  SER  40           1HB      SER  40  -2.254  -6.080   6.858
  300    HG   SER  40           HG       SER  40  -0.009  -7.624   6.134
  301    HA   PRO  41           HA       PRO  41  -6.698  -8.574   5.160
  302    HB2  PRO  41           2HB      PRO  41  -8.028  -6.650   6.649
  303    HB3  PRO  41           1HB      PRO  41  -7.925  -8.353   7.037
  304    HG2  PRO  41           2HG      PRO  41  -6.391  -6.108   8.108
  305    HG3  PRO  41           1HG      PRO  41  -6.929  -7.574   8.909
  306    HD2  PRO  41           2HD      PRO  41  -4.368  -7.224   8.176
  307    HD3  PRO  41           1HD      PRO  41  -5.147  -8.817   8.132
  308    H    GLU  42           H        GLU  42  -5.302  -5.466   5.894
  309    HA   GLU  42           HA       GLU  42  -6.947  -4.060   4.077
  310    HB2  GLU  42           2HB      GLU  42  -4.320  -3.173   5.236
  311    HB3  GLU  42           1HB      GLU  42  -5.570  -2.139   4.554
  312    HG2  GLU  42           2HG      GLU  42  -5.704  -3.758   7.079
  313    HG3  GLU  42           1HG      GLU  42  -5.707  -2.004   6.921
  314    H    TYR  43           H        TYR  43  -3.675  -5.321   3.918
  315    HA   TYR  43           HA       TYR  43  -2.999  -4.398   1.362
  316    HB2  TYR  43           2HB      TYR  43  -1.280  -5.341   2.734
  317    HB3  TYR  43           1HB      TYR  43  -2.166  -6.846   2.927
  318    HD1  TYR  43           2HD      TYR  43  -0.064  -4.863   0.646
  319    HD2  TYR  43           1HD      TYR  43  -2.112  -8.546   1.235
  320    HE1  TYR  43           2HE      TYR  43   1.130  -5.837  -1.276
  321    HE2  TYR  43           1HE      TYR  43  -0.917  -9.527  -0.668
  322    HH   TYR  43           HH       TYR  43   0.236  -8.865  -2.645
  323    H    GLN  44           H        GLN  44  -4.500  -7.422   2.419
  324    HA   GLN  44           HA       GLN  44  -4.840  -8.635  -0.077
  325    HB2  GLN  44           2HB      GLN  44  -6.604  -8.825   2.361
  326    HB3  GLN  44           1HB      GLN  44  -6.567  -9.969   1.025
  327    HG2  GLN  44           2HG      GLN  44  -4.117  -9.361   2.606
  328    HG3  GLN  44           1HG      GLN  44  -5.319 -10.515   3.160
  329   HE21  GLN  44          1HE2      GLN  44  -2.962  -9.793   0.716
  330   HE22  GLN  44          2HE2      GLN  44  -2.846 -11.385   0.058
  331    H    ASP  45           H        ASP  45  -7.296  -7.084   1.902
  332    HA   ASP  45           HA       ASP  45  -9.416  -7.029   0.198
  333    HB2  ASP  45           2HB      ASP  45  -9.314  -6.181   2.584
  334    HB3  ASP  45           1HB      ASP  45  -8.736  -4.656   1.921
  335    H    TYR  46           H        TYR  46  -7.098  -4.363   0.453
  336    HA   TYR  46           HA       TYR  46  -8.217  -2.824  -1.619
  337    HB2  TYR  46           2HB      TYR  46  -6.770  -1.834   0.086
  338    HB3  TYR  46           1HB      TYR  46  -5.410  -2.773  -0.518
  339    HD1  TYR  46           1HD      TYR  46  -7.884  -0.203  -1.581
  340    HD2  TYR  46           2HD      TYR  46  -4.007  -1.862  -2.147
  341    HE1  TYR  46           1HE      TYR  46  -7.341   1.610  -3.148
  342    HE2  TYR  46           2HE      TYR  46  -3.458  -0.052  -3.721
  343    HH   TYR  46           HH       TYR  46  -5.629   2.666  -4.220
  344    H    VAL  47           H        VAL  47  -5.620  -5.189  -1.648
  345    HA   VAL  47           HA       VAL  47  -5.010  -4.590  -4.358
  346    HB   VAL  47           HB       VAL  47  -4.108  -6.794  -2.517
  347   HG11  VAL  47          1HG1      VAL  47  -2.447  -7.425  -4.218
  348   HG12  VAL  47          2HG1      VAL  47  -3.249  -6.352  -5.367
  349   HG13  VAL  47          3HG1      VAL  47  -4.102  -7.758  -4.729
  350   HG21  VAL  47          3HG2      VAL  47  -1.954  -5.643  -2.656
  351   HG22  VAL  47          1HG2      VAL  47  -3.227  -4.577  -2.063
  352   HG23  VAL  47          2HG2      VAL  47  -2.670  -4.442  -3.731
  353    H    TYR  48           H        TYR  48  -7.315  -6.533  -2.796
  354    HA   TYR  48           HA       TYR  48  -7.731  -8.479  -4.817
  355    HB2  TYR  48           2HB      TYR  48  -8.514  -9.084  -2.722
  356    HB3  TYR  48           1HB      TYR  48  -9.166  -7.495  -2.388
  357    HD1  TYR  48           2HD      TYR  48  -9.749 -10.568  -4.380
  358    HD2  TYR  48           1HD      TYR  48 -11.364  -7.008  -2.751
  359    HE1  TYR  48           2HE      TYR  48 -12.014 -11.344  -4.980
  360    HE2  TYR  48           1HE      TYR  48 -13.647  -7.757  -3.334
  361    HH   TYR  48           HH       TYR  48 -14.337 -10.957  -4.301
  362    H    LEU  49           H        LEU  49  -9.611  -5.620  -3.825
  363    HA   LEU  49           HA       LEU  49 -11.233  -5.856  -6.169
  364    HB2  LEU  49           2HB      LEU  49 -12.009  -3.476  -5.207
  365    HB3  LEU  49           1HB      LEU  49 -12.639  -5.022  -4.694
  366    HG   LEU  49           HG       LEU  49 -10.777  -4.929  -2.917
  367   HD11  LEU  49          1HD1      LEU  49 -10.305  -2.612  -2.165
  368   HD12  LEU  49          2HD1      LEU  49 -11.011  -2.022  -3.670
  369   HD13  LEU  49          3HD1      LEU  49  -9.560  -3.019  -3.708
  370   HD21  LEU  49          3HD2      LEU  49 -13.175  -4.866  -2.470
  371   HD22  LEU  49          1HD2      LEU  49 -13.188  -3.128  -2.764
  372   HD23  LEU  49          2HD2      LEU  49 -12.294  -3.783  -1.392
  373    H    GLU  50           H        GLU  50  -8.599  -3.759  -5.215
  374    HA   GLU  50           HA       GLU  50  -8.971  -2.139  -7.601
  375    HB2  GLU  50           2HB      GLU  50  -6.992  -1.959  -5.334
  376    HB3  GLU  50           1HB      GLU  50  -6.973  -0.887  -6.727
  377    HG2  GLU  50           2HG      GLU  50  -9.284  -1.205  -4.826
  378    HG3  GLU  50           1HG      GLU  50  -8.093   0.091  -4.767
  379    H    GLY  51           H        GLY  51  -5.986  -3.510  -6.230
  380    HA2  GLY  51           2HA      GLY  51  -5.330  -5.449  -7.957
  381    HA3  GLY  51           1HA      GLY  51  -5.019  -4.013  -8.918
  382    H    THR  52           H        THR  52  -3.132  -5.989  -8.112
  383    HA   THR  52           HA       THR  52  -1.525  -5.016  -5.968
  384    HB   THR  52           HB       THR  52  -0.377  -6.683  -8.162
  385    HG1  THR  52           1HG      THR  52  -1.581  -8.427  -6.726
  386   HG21  THR  52          3HG2      THR  52  -0.327  -6.787  -5.149
  387   HG22  THR  52          1HG2      THR  52   0.977  -6.276  -6.219
  388   HG23  THR  52          2HG2      THR  52   0.465  -7.963  -6.197
  389    H    GLN  53           H        GLN  53  -1.929  -4.220  -9.269
  390    HA   GLN  53           HA       GLN  53   0.689  -3.268  -9.836
  391    HB2  GLN  53           2HB      GLN  53  -1.892  -2.485 -11.186
  392    HB3  GLN  53           1HB      GLN  53  -0.280  -2.394 -11.870
  393    HG2  GLN  53           2HG      GLN  53  -0.141  -4.814 -11.750
  394    HG3  GLN  53           1HG      GLN  53  -1.775  -4.889 -11.128
  395   HE21  GLN  53          1HE2      GLN  53  -2.510  -6.116 -12.835
  396   HE22  GLN  53          2HE2      GLN  53  -2.707  -5.476 -14.434
  397    H    LYS  54           H        LYS  54  -2.341  -1.466  -9.479
  398    HA   LYS  54           HA       LYS  54  -1.243   1.046  -9.124
  399    HB2  LYS  54           2HB      LYS  54  -3.787  -0.216  -8.510
  400    HB3  LYS  54           1HB      LYS  54  -3.464   1.298  -7.713
  401    HG2  LYS  54           2HG      LYS  54  -2.853   2.134 -10.018
  402    HG3  LYS  54           1HG      LYS  54  -3.704   0.713 -10.590
  403    HD2  LYS  54           2HD      LYS  54  -5.742   1.422  -9.803
  404    HD3  LYS  54           1HD      LYS  54  -5.006   2.465  -8.588
  405    HE2  LYS  54           2HE      LYS  54  -4.292   4.004 -10.364
  406    HE3  LYS  54           1HE      LYS  54  -5.057   2.960 -11.562
  407    HZ1  LYS  54           3HZ      LYS  54  -6.400   4.927 -10.842
  408    HZ2  LYS  54           1HZ      LYS  54  -6.546   4.205  -9.318
  409    HZ3  LYS  54           2HZ      LYS  54  -7.189   3.439 -10.683
  410    H    ALA  55           H        ALA  55  -1.985  -1.407  -6.739
  411    HA   ALA  55           HA       ALA  55  -1.242   0.025  -4.424
  412    HB1  ALA  55           1HB      ALA  55  -0.961  -2.155  -3.370
  413    HB2  ALA  55           2HB      ALA  55  -0.974  -2.942  -4.948
  414    HB3  ALA  55           3HB      ALA  55  -2.422  -2.126  -4.357
  415    H    LYS  56           H        LYS  56   0.744  -1.838  -6.761
  416    HA   LYS  56           HA       LYS  56   3.123  -1.628  -5.263
  417    HB2  LYS  56           2HB      LYS  56   3.010  -3.277  -6.978
  418    HB3  LYS  56           1HB      LYS  56   2.572  -2.091  -8.197
  419    HG2  LYS  56           2HG      LYS  56   4.742  -1.088  -8.020
  420    HG3  LYS  56           1HG      LYS  56   5.210  -2.238  -6.777
  421    HD2  LYS  56           2HD      LYS  56   4.735  -4.053  -8.450
  422    HD3  LYS  56           1HD      LYS  56   4.588  -2.795  -9.666
  423    HE2  LYS  56           2HE      LYS  56   6.874  -2.042  -9.151
  424    HE3  LYS  56           1HE      LYS  56   7.020  -3.347  -7.976
  425    HZ1  LYS  56           3HZ      LYS  56   8.057  -4.042  -9.975
  426    HZ2  LYS  56           1HZ      LYS  56   6.711  -3.604 -10.916
  427    HZ3  LYS  56           2HZ      LYS  56   6.606  -4.915  -9.847
  428    H    LYS  57           H        LYS  57   1.714   0.312  -7.880
  429    HA   LYS  57           HA       LYS  57   3.613   2.325  -8.057
  430    HB2  LYS  57           2HB      LYS  57   0.613   2.329  -8.412
  431    HB3  LYS  57           1HB      LYS  57   1.678   3.589  -8.949
  432    HG2  LYS  57           2HG      LYS  57   1.978   0.775  -9.863
  433    HG3  LYS  57           1HG      LYS  57   0.933   1.923 -10.678
  434    HD2  LYS  57           2HD      LYS  57   2.904   3.414 -10.986
  435    HD3  LYS  57           1HD      LYS  57   3.914   2.117 -10.336
  436    HE2  LYS  57           2HE      LYS  57   2.977   0.623 -12.106
  437    HE3  LYS  57           1HE      LYS  57   2.190   2.033 -12.804
  438    HZ1  LYS  57           3HZ      LYS  57   4.387   3.044 -13.088
  439    HZ2  LYS  57           1HZ      LYS  57   4.235   1.596 -13.952
  440    HZ3  LYS  57           2HZ      LYS  57   5.119   1.634 -12.509
  441    H    LEU  58           H        LEU  58   0.872   1.836  -5.895
  442    HA   LEU  58           HA       LEU  58   0.928   4.320  -4.566
  443    HB2  LEU  58           2HB      LEU  58  -0.931   2.622  -4.499
  444    HB3  LEU  58           1HB      LEU  58   0.072   1.636  -3.473
  445    HG   LEU  58           HG       LEU  58  -0.275   2.940  -1.647
  446   HD11  LEU  58          1HD1      LEU  58   0.545   5.056  -2.607
  447   HD12  LEU  58          2HD1      LEU  58  -0.936   5.305  -1.682
  448   HD13  LEU  58          3HD1      LEU  58  -0.995   5.266  -3.443
  449   HD21  LEU  58          3HD2      LEU  58  -2.633   3.508  -1.544
  450   HD22  LEU  58          1HD2      LEU  58  -2.390   1.991  -2.410
  451   HD23  LEU  58          2HD2      LEU  58  -2.727   3.475  -3.305
  452    H    PHE  59           H        PHE  59   2.444   1.200  -3.832
  453    HA   PHE  59           HA       PHE  59   3.961   1.886  -1.623
  454    HB2  PHE  59           2HB      PHE  59   4.004  -0.374  -2.269
  455    HB3  PHE  59           1HB      PHE  59   4.448   0.002  -3.921
  456    HD1  PHE  59           2HD      PHE  59   5.773   0.253  -0.450
  457    HD2  PHE  59           1HD      PHE  59   6.659  -0.310  -4.585
  458    HE1  PHE  59           2HE      PHE  59   8.125  -0.199   0.107
  459    HE2  PHE  59           1HE      PHE  59   9.002  -0.757  -4.019
  460    HZ   PHE  59           HZ       PHE  59   9.740  -0.704  -1.674
  461    H    LEU  60           H        LEU  60   4.830   2.257  -5.053
  462    HA   LEU  60           HA       LEU  60   7.291   3.519  -4.804
  463    HB2  LEU  60           2HB      LEU  60   5.111   3.612  -6.834
  464    HB3  LEU  60           1HB      LEU  60   6.408   4.769  -6.962
  465    HG   LEU  60           HG       LEU  60   6.727   2.890  -8.382
  466   HD11  LEU  60          1HD1      LEU  60   9.006   2.307  -7.746
  467   HD12  LEU  60          2HD1      LEU  60   8.684   2.860  -6.103
  468   HD13  LEU  60          3HD1      LEU  60   8.689   4.017  -7.437
  469   HD21  LEU  60          3HD2      LEU  60   6.775   1.213  -5.900
  470   HD22  LEU  60          1HD2      LEU  60   7.212   0.653  -7.515
  471   HD23  LEU  60          2HD2      LEU  60   5.559   1.171  -7.175
  472    H    GLN  61           H        GLN  61   4.108   5.034  -5.050
  473    HA   GLN  61           HA       GLN  61   4.748   7.693  -4.758
  474    HB2  GLN  61           2HB      GLN  61   2.434   6.201  -3.556
  475    HB3  GLN  61           1HB      GLN  61   2.533   7.947  -3.717
  476    HG2  GLN  61           2HG      GLN  61   2.715   6.073  -6.030
  477    HG3  GLN  61           1HG      GLN  61   1.230   6.760  -5.432
  478   HE21  GLN  61          1HE2      GLN  61   2.506   7.066  -7.998
  479   HE22  GLN  61          2HE2      GLN  61   2.732   8.757  -8.206
  480    H    HIS  62           H        HIS  62   3.732   5.577  -2.123
  481    HA   HIS  62           HA       HIS  62   4.444   7.257  -0.006
  482    HB2  HIS  62           2HB      HIS  62   3.265   4.987   0.198
  483    HB3  HIS  62           1HB      HIS  62   4.866   4.275   0.148
  484    HD1  HIS  62           1HD      HIS  62   5.867   3.947   2.342
  485    HD2  HIS  62           2HD      HIS  62   3.144   7.076   2.331
  486    HE1  HIS  62           1HE      HIS  62   5.794   4.786   4.670
  487    HE2  HIS  62           2HE      HIS  62   4.377   6.858   4.595
  488    H    ILE  63           H        ILE  63   6.484   4.951  -1.754
  489    HA   ILE  63           HA       ILE  63   8.813   5.198  -0.298
  490    HB   ILE  63           HB       ILE  63   8.441   4.917  -3.256
  491   HG12  ILE  63          2HG1      ILE  63   7.708   3.067  -1.842
  492   HG13  ILE  63          1HG1      ILE  63   9.123   2.633  -2.762
  493   HG21  ILE  63          1HG2      ILE  63  10.573   5.913  -3.119
  494   HG22  ILE  63          2HG2      ILE  63  10.883   4.177  -3.199
  495   HG23  ILE  63          3HG2      ILE  63  10.983   5.025  -1.651
  496   HD11  ILE  63          3HD1      ILE  63   9.272   1.780  -0.518
  497   HD12  ILE  63          1HD1      ILE  63   9.103   3.416   0.118
  498   HD13  ILE  63          2HD1      ILE  63  10.530   2.979  -0.821
  499    H    HIS  64           H        HIS  64   7.559   7.332  -2.828
  500    HA   HIS  64           HA       HIS  64   9.686   9.204  -2.898
  501    HB2  HIS  64           2HB      HIS  64   8.085   9.286  -4.653
  502    HB3  HIS  64           1HB      HIS  64   6.758   9.345  -3.537
  503    HD1  HIS  64           1HD      HIS  64   7.224  11.544  -1.894
  504    HD2  HIS  64           2HD      HIS  64   8.232  11.720  -5.893
  505    HE1  HIS  64           1HE      HIS  64   7.226  14.013  -2.472
  506    HE2  HIS  64           2HE      HIS  64   7.686  14.086  -4.957
  507    H    ARG  65           H        ARG  65   6.588   9.277  -1.227
  508    HA   ARG  65           HA       ARG  65   6.837  11.479   0.292
  509    HB2  ARG  65           2HB      ARG  65   5.688   8.874   0.878
  510    HB3  ARG  65           1HB      ARG  65   5.371  10.298   1.801
  511    HG2  ARG  65           2HG      ARG  65   4.373  11.326   0.105
  512    HG3  ARG  65           1HG      ARG  65   5.049  10.282  -1.122
  513    HD2  ARG  65           2HD      ARG  65   2.864   9.664  -0.890
  514    HD3  ARG  65           1HD      ARG  65   3.786   8.453  -0.041
  515    HE   ARG  65           HE       ARG  65   3.148  10.254   1.892
  516   HH11  ARG  65          1HH1      ARG  65   1.142   8.524  -0.417
  517   HH12  ARG  65          2HH1      ARG  65  -0.140   8.250   0.736
  518   HH21  ARG  65          1HH2      ARG  65   1.486   9.900   3.365
  519   HH22  ARG  65          2HH2      ARG  65   0.059   9.038   2.875
  520    H    LEU  66           H        LEU  66   7.872   8.271   1.167
  521    HA   LEU  66           HA       LEU  66   9.056   8.609   3.623
  522    HB2  LEU  66           2HB      LEU  66   9.839   6.899   1.291
  523    HB3  LEU  66           1HB      LEU  66  10.570   6.707   2.858
  524    HG   LEU  66           HG       LEU  66   7.670   6.478   2.221
  525   HD11  LEU  66          1HD1      LEU  66   8.914   4.613   1.300
  526   HD12  LEU  66          2HD1      LEU  66   7.976   4.083   2.696
  527   HD13  LEU  66          3HD1      LEU  66   9.712   4.355   2.853
  528   HD21  LEU  66          3HD2      LEU  66   8.059   7.310   4.443
  529   HD22  LEU  66          1HD2      LEU  66   9.200   6.003   4.758
  530   HD23  LEU  66          2HD2      LEU  66   7.487   5.644   4.526
  531    H    LYS  67           H        LYS  67  10.476   9.034   0.495
  532    HA   LYS  67           HA       LYS  67  13.032   9.917   1.412
  533    HB2  LYS  67           2HB      LYS  67  11.874  10.829  -1.182
  534    HB3  LYS  67           1HB      LYS  67  13.529  10.401  -0.816
  535    HG2  LYS  67           2HG      LYS  67  12.630   8.060  -0.537
  536    HG3  LYS  67           1HG      LYS  67  11.183   8.634  -1.334
  537    HD2  LYS  67           2HD      LYS  67  13.918   9.002  -2.493
  538    HD3  LYS  67           1HD      LYS  67  12.942   7.559  -2.773
  539    HE2  LYS  67           2HE      LYS  67  11.395   8.681  -4.024
  540    HE3  LYS  67           1HE      LYS  67  11.671  10.209  -3.187
  541    HZ1  LYS  67           3HZ      LYS  67  13.463   8.941  -5.206
  542    HZ2  LYS  67           1HZ      LYS  67  13.799  10.391  -4.391
  543    HZ3  LYS  67           2HZ      LYS  67  12.486  10.305  -5.457
  544    H    HIS  68           H        HIS  68  10.112  11.589   0.371
  545    HA   HIS  68           HA       HIS  68  10.577  13.878   1.853
  546    HB2  HIS  68           2HB      HIS  68  10.904  15.432  -0.045
  547    HB3  HIS  68           1HB      HIS  68  12.292  14.438   0.310
  548    HD1  HIS  68           1HD      HIS  68  10.130  12.321  -1.447
  549    HD2  HIS  68           2HD      HIS  68  12.587  15.475  -2.552
  550    HE1  HIS  68           1HE      HIS  68  10.501  12.058  -3.932
  551    HE2  HIS  68           2HE      HIS  68  11.758  14.130  -4.602
  552    H    GLU  69           H        GLU  69   8.475  13.810   2.449
  553    HA   GLU  69           HA       GLU  69   6.427  13.785   0.402
  554    HB2  GLU  69           2HB      GLU  69   6.433  13.052   3.059
  555    HB3  GLU  69           1HB      GLU  69   5.507  14.537   3.043
  556    HG2  GLU  69           2HG      GLU  69   4.222  13.522   1.153
  557    HG3  GLU  69           1HG      GLU  69   5.011  12.011   1.537
  Start of MODEL    9
    1    H    SER   5           H        SER   5 -20.560   5.555  -0.328
    2    HA   SER   5           HA       SER   5 -19.399   2.982   0.339
    3    HB2  SER   5           2HB      SER   5 -20.103   3.644  -2.002
    4    HB3  SER   5           1HB      SER   5 -18.742   4.764  -2.017
    5    HG   SER   5           HG       SER   5 -18.187   2.129  -1.291
    6    H    GLN   6           H        GLN   6 -18.272   3.554   2.226
    7    HA   GLN   6           HA       GLN   6 -16.326   5.669   2.219
    8    HB2  GLN   6           2HB      GLN   6 -16.914   3.506   4.235
    9    HB3  GLN   6           1HB      GLN   6 -15.832   4.864   4.510
   10    HG2  GLN   6           2HG      GLN   6 -17.615   6.418   4.395
   11    HG3  GLN   6           1HG      GLN   6 -18.730   5.195   3.796
   12   HE21  GLN   6          1HE2      GLN   6 -16.474   4.575   6.400
   13   HE22  GLN   6          2HE2      GLN   6 -17.666   4.475   7.650
   14    H    GLN   7           H        GLN   7 -16.361   2.262   1.651
   15    HA   GLN   7           HA       GLN   7 -13.758   1.498   2.221
   16    HB2  GLN   7           2HB      GLN   7 -15.679   0.042   1.545
   17    HB3  GLN   7           1HB      GLN   7 -15.339   0.476  -0.116
   18    HG2  GLN   7           2HG      GLN   7 -14.303  -1.575   0.295
   19    HG3  GLN   7           1HG      GLN   7 -13.046  -0.368   0.269
   20   HE21  GLN   7          1HE2      GLN   7 -13.000  -2.978   1.438
   21   HE22  GLN   7          2HE2      GLN   7 -12.662  -2.763   3.115
   22    H    ILE   8           H        ILE   8 -14.993   3.235  -0.536
   23    HA   ILE   8           HA       ILE   8 -12.973   2.840  -2.387
   24    HB   ILE   8           HB       ILE   8 -14.640   5.312  -1.941
   25   HG12  ILE   8          2HG1      ILE   8 -14.980   2.987  -3.832
   26   HG13  ILE   8          1HG1      ILE   8 -15.932   3.291  -2.392
   27   HG21  ILE   8          1HG2      ILE   8 -14.144   5.874  -4.261
   28   HG22  ILE   8          2HG2      ILE   8 -13.041   4.503  -4.354
   29   HG23  ILE   8          3HG2      ILE   8 -12.684   5.851  -3.274
   30   HD11  ILE   8          3HD1      ILE   8 -17.127   3.947  -4.397
   31   HD12  ILE   8          1HD1      ILE   8 -15.819   5.053  -4.818
   32   HD13  ILE   8          2HD1      ILE   8 -16.789   5.342  -3.372
   33    H    ALA   9           H        ALA   9 -13.027   4.871   0.404
   34    HA   ALA   9           HA       ALA   9 -10.483   6.091  -0.396
   35    HB1  ALA   9           1HB      ALA   9 -12.419   7.004   1.719
   36    HB2  ALA   9           2HB      ALA   9 -12.276   7.678   0.096
   37    HB3  ALA   9           3HB      ALA   9 -10.940   7.833   1.237
   38    H    THR  10           H        THR  10 -12.107   4.631   2.349
   39    HA   THR  10           HA       THR  10  -9.933   4.814   4.115
   40    HB   THR  10           HB       THR  10 -11.210   3.281   5.559
   41    HG1  THR  10           1HG      THR  10 -12.840   2.144   4.793
   42   HG21  THR  10          3HG2      THR  10 -12.838   5.480   4.283
   43   HG22  THR  10          1HG2      THR  10 -11.674   5.677   5.594
   44   HG23  THR  10          2HG2      THR  10 -13.152   4.753   5.859
   45    H    ALA  11           H        ALA  11 -10.882   2.275   1.851
   46    HA   ALA  11           HA       ALA  11  -9.190   0.271   2.917
   47    HB1  ALA  11           1HB      ALA  11  -9.462  -0.891   0.834
   48    HB2  ALA  11           2HB      ALA  11 -10.000   0.585   0.030
   49    HB3  ALA  11           3HB      ALA  11 -11.007  -0.159   1.273
   50    H    LYS  12           H        LYS  12  -8.726   2.590   0.270
   51    HA   LYS  12           HA       LYS  12  -6.017   2.002  -0.213
   52    HB2  LYS  12           2HB      LYS  12  -7.388   3.310  -1.778
   53    HB3  LYS  12           1HB      LYS  12  -7.496   4.614  -0.608
   54    HG2  LYS  12           2HG      LYS  12  -5.162   5.061  -0.769
   55    HG3  LYS  12           1HG      LYS  12  -4.897   3.616  -1.742
   56    HD2  LYS  12           2HD      LYS  12  -6.206   4.580  -3.557
   57    HD3  LYS  12           1HD      LYS  12  -6.530   6.013  -2.577
   58    HE2  LYS  12           2HE      LYS  12  -3.744   5.101  -3.241
   59    HE3  LYS  12           1HE      LYS  12  -4.644   6.193  -4.284
   60    HZ1  LYS  12           3HZ      LYS  12  -3.934   6.683  -1.436
   61    HZ2  LYS  12           1HZ      LYS  12  -4.838   7.737  -2.411
   62    HZ3  LYS  12           2HZ      LYS  12  -3.222   7.415  -2.787
   63    H    ASP  13           H        ASP  13  -7.601   4.396   1.812
   64    HA   ASP  13           HA       ASP  13  -5.436   5.745   2.892
   65    HB2  ASP  13           2HB      ASP  13  -7.855   6.293   3.279
   66    HB3  ASP  13           1HB      ASP  13  -7.951   4.904   4.354
   67    H    LYS  14           H        LYS  14  -6.941   2.742   4.036
   68    HA   LYS  14           HA       LYS  14  -5.230   2.478   6.273
   69    HB2  LYS  14           2HB      LYS  14  -7.514   1.607   6.186
   70    HB3  LYS  14           1HB      LYS  14  -7.061   0.524   4.882
   71    HG2  LYS  14           2HG      LYS  14  -5.804  -0.816   6.270
   72    HG3  LYS  14           1HG      LYS  14  -5.703   0.404   7.535
   73    HD2  LYS  14           2HD      LYS  14  -7.292  -1.521   7.979
   74    HD3  LYS  14           1HD      LYS  14  -7.962   0.100   8.156
   75    HE2  LYS  14           2HE      LYS  14  -9.554  -1.275   6.996
   76    HE3  LYS  14           1HE      LYS  14  -8.903  -0.088   5.869
   77    HZ1  LYS  14           3HZ      LYS  14  -8.161  -2.955   6.054
   78    HZ2  LYS  14           1HZ      LYS  14  -7.392  -1.835   5.046
   79    HZ3  LYS  14           2HZ      LYS  14  -9.022  -2.206   4.804
   80    H    TYR  15           H        TYR  15  -5.322   1.109   3.001
   81    HA   TYR  15           HA       TYR  15  -3.131  -0.636   3.266
   82    HB2  TYR  15           2HB      TYR  15  -4.584  -0.745   1.316
   83    HB3  TYR  15           1HB      TYR  15  -4.102   0.882   0.837
   84    HD1  TYR  15           2HD      TYR  15  -2.861  -2.561   1.312
   85    HD2  TYR  15           1HD      TYR  15  -2.146   1.248  -0.451
   86    HE1  TYR  15           2HE      TYR  15  -0.982  -3.507   0.050
   87    HE2  TYR  15           1HE      TYR  15  -0.261   0.308  -1.724
   88    HH   TYR  15           HH       TYR  15   1.274  -1.554  -1.623
   89    H    GLU  16           H        GLU  16  -3.335   2.777   2.396
   90    HA   GLU  16           HA       GLU  16  -0.677   3.253   1.875
   91    HB2  GLU  16           2HB      GLU  16  -3.090   4.771   2.595
   92    HB3  GLU  16           1HB      GLU  16  -1.565   5.592   2.824
   93    HG2  GLU  16           2HG      GLU  16  -0.995   5.017   0.485
   94    HG3  GLU  16           1HG      GLU  16  -2.620   4.376   0.300
   95    H    TRP  17           H        TRP  17  -2.431   3.138   4.982
   96    HA   TRP  17           HA       TRP  17  -0.100   3.845   6.469
   97    HB2  TRP  17           2HB      TRP  17  -1.995   4.068   7.794
   98    HB3  TRP  17           1HB      TRP  17  -2.695   2.590   7.200
   99    HD1  TRP  17           HD       TRP  17   0.399   3.450   9.274
  100    HE1  TRP  17           1HE      TRP  17   0.632   1.703  11.133
  101    HE3  TRP  17           3HE      TRP  17  -3.410   0.606   7.969
  102    HZ2  TRP  17           2HZ      TRP  17  -0.760  -0.631  11.948
  103    HZ3  TRP  17           3HZ      TRP  17  -3.982  -1.405   9.306
  104    HH2  TRP  17           HH       TRP  17  -2.641  -1.992  11.254
  105    H    LEU  18           H        LEU  18  -1.534   0.817   5.339
  106    HA   LEU  18           HA       LEU  18   0.010  -0.946   6.766
  107    HB2  LEU  18           2HB      LEU  18  -1.338  -1.035   4.115
  108    HB3  LEU  18           1HB      LEU  18  -0.064  -2.216   4.331
  109    HG   LEU  18           HG       LEU  18  -2.498  -2.929   4.874
  110   HD11  LEU  18          1HD1      LEU  18  -0.316  -3.306   6.943
  111   HD12  LEU  18          2HD1      LEU  18  -0.496  -4.238   5.456
  112   HD13  LEU  18          3HD1      LEU  18  -1.730  -4.334   6.711
  113   HD21  LEU  18          3HD2      LEU  18  -3.195  -2.395   7.144
  114   HD22  LEU  18          1HD2      LEU  18  -3.058  -0.940   6.157
  115   HD23  LEU  18          2HD2      LEU  18  -1.804  -1.327   7.337
  116    H    VAL  19           H        VAL  19   0.728   0.509   3.607
  117    HA   VAL  19           HA       VAL  19   3.371  -0.391   3.356
  118    HB   VAL  19           HB       VAL  19   2.056   2.100   2.258
  119   HG11  VAL  19          1HG1      VAL  19   4.488   2.471   2.496
  120   HG12  VAL  19          2HG1      VAL  19   3.983   2.384   0.809
  121   HG13  VAL  19          3HG1      VAL  19   4.784   1.005   1.562
  122   HG21  VAL  19          3HG2      VAL  19   2.933  -0.472   0.965
  123   HG22  VAL  19          1HG2      VAL  19   2.116   0.874   0.165
  124   HG23  VAL  19          2HG2      VAL  19   1.271  -0.065   1.401
  125    H    SER  20           H        SER  20   2.106   2.497   5.020
  126    HA   SER  20           HA       SER  20   4.720   3.497   5.593
  127    HB2  SER  20           2HB      SER  20   3.604   5.170   6.880
  128    HB3  SER  20           1HB      SER  20   2.649   4.899   5.435
  129    HG   SER  20           HG       SER  20   1.685   3.237   7.193
  130    H    ARG  21           H        ARG  21   2.714   1.114   6.997
  131    HA   ARG  21           HA       ARG  21   3.799   1.329   9.604
  132    HB2  ARG  21           2HB      ARG  21   2.030   0.072  10.233
  133    HB3  ARG  21           1HB      ARG  21   1.398   0.428   8.638
  134    HG2  ARG  21           2HG      ARG  21   2.245  -1.546   7.807
  135    HG3  ARG  21           1HG      ARG  21   3.139  -1.890   9.252
  136    HD2  ARG  21           2HD      ARG  21   0.807  -1.852  10.395
  137    HD3  ARG  21           1HD      ARG  21   0.203  -2.094   8.754
  138    HE   ARG  21           HE       ARG  21   2.274  -3.940   9.523
  139   HH11  ARG  21          1HH1      ARG  21  -1.165  -3.338   9.527
  140   HH12  ARG  21          2HH1      ARG  21  -1.591  -5.011   9.708
  141   HH21  ARG  21          1HH2      ARG  21   1.745  -6.124   9.792
  142   HH22  ARG  21          2HH2      ARG  21   0.072  -6.606   9.851
  143    H    ILE  22           H        ILE  22   4.391  -0.346   6.708
  144    HA   ILE  22           HA       ILE  22   6.358  -2.113   7.988
  145    HB   ILE  22           HB       ILE  22   5.453  -2.086   5.119
  146   HG12  ILE  22          2HG1      ILE  22   3.748  -2.538   7.045
  147   HG13  ILE  22          1HG1      ILE  22   3.772  -3.553   5.633
  148   HG21  ILE  22          1HG2      ILE  22   6.880  -4.172   6.752
  149   HG22  ILE  22          2HG2      ILE  22   7.608  -3.166   5.500
  150   HG23  ILE  22          3HG2      ILE  22   6.369  -4.348   5.076
  151   HD11  ILE  22          3HD1      ILE  22   3.524  -4.881   7.637
  152   HD12  ILE  22          1HD1      ILE  22   5.001  -4.182   8.300
  153   HD13  ILE  22          2HD1      ILE  22   5.078  -5.221   6.878
  154    H    VAL  23           H        VAL  23   6.033  -0.041   5.147
  155    HA   VAL  23           HA       VAL  23   8.899   0.194   4.813
  156    HB   VAL  23           HB       VAL  23   6.583   1.392   3.283
  157   HG11  VAL  23          1HG1      VAL  23   9.515   1.144   2.616
  158   HG12  VAL  23          2HG1      VAL  23   8.606   2.632   2.891
  159   HG13  VAL  23          3HG1      VAL  23   8.263   1.638   1.476
  160   HG21  VAL  23          3HG2      VAL  23   6.572  -1.066   3.308
  161   HG22  VAL  23          1HG2      VAL  23   8.213  -1.068   2.662
  162   HG23  VAL  23          2HG2      VAL  23   6.887  -0.408   1.702
  163    H    LYS  24           H        LYS  24   9.600   1.397   6.528
  164    HA   LYS  24           HA       LYS  24   8.372   3.979   7.115
  165    HB2  LYS  24           2HB      LYS  24   9.122   2.215   8.834
  166    HB3  LYS  24           1HB      LYS  24  10.721   2.817   8.492
  167    HG2  LYS  24           2HG      LYS  24   9.864   3.876  10.401
  168    HG3  LYS  24           1HG      LYS  24  10.079   5.039   9.104
  169    HD2  LYS  24           2HD      LYS  24   7.702   4.741   8.553
  170    HD3  LYS  24           1HD      LYS  24   7.519   3.755  10.006
  171    HE2  LYS  24           2HE      LYS  24   8.060   5.546  11.422
  172    HE3  LYS  24           1HE      LYS  24   8.681   6.505  10.079
  173    HZ1  LYS  24           3HZ      LYS  24   6.499   7.271  10.849
  174    HZ2  LYS  24           1HZ      LYS  24   5.824   5.760  10.474
  175    HZ3  LYS  24           2HZ      LYS  24   6.437   6.750   9.238
  176    H    ASN  25           H        ASN  25  11.625   2.697   6.559
  177    HA   ASN  25           HA       ASN  25  12.677   5.345   6.041
  178    HB2  ASN  25           2HB      ASN  25  14.863   4.111   5.848
  179    HB3  ASN  25           1HB      ASN  25  14.042   3.935   7.395
  180   HD21  ASN  25          1HD2      ASN  25  15.282   2.042   7.742
  181   HD22  ASN  25          2HD2      ASN  25  14.850   0.546   6.981
  182    H    HIS  26           H        HIS  26  10.948   3.598   4.108
  183    HA   HIS  26           HA       HIS  26  10.731   3.061   1.948
  184    HB2  HIS  26           2HB      HIS  26  11.229   4.683   0.347
  185    HB3  HIS  26           1HB      HIS  26  11.031   5.587   1.835
  186    HD1  HIS  26           1HD      HIS  26  12.573   7.501   1.733
  187    HD2  HIS  26           2HD      HIS  26  14.345   4.069   0.207
  188    HE1  HIS  26           1HE      HIS  26  14.929   8.144   1.160
  189    HE2  HIS  26           2HE      HIS  26  15.859   6.147  -0.042
  190    H    ASN  27           H        ASN  27  13.366   2.126   3.452
  191    HA   ASN  27           HA       ASN  27  15.027   1.522   1.141
  192    HB2  ASN  27           2HB      ASN  27  15.386   0.891   4.055
  193    HB3  ASN  27           1HB      ASN  27  16.526   0.508   2.800
  194   HD21  ASN  27          1HD2      ASN  27  16.050   3.103   1.457
  195   HD22  ASN  27          2HD2      ASN  27  16.862   4.223   2.457
  196    H    GLU  28           H        GLU  28  12.556   0.340   1.028
  197    HA   GLU  28           HA       GLU  28  13.081  -2.492   1.565
  198    HB2  GLU  28           2HB      GLU  28  10.498  -0.971   1.310
  199    HB3  GLU  28           1HB      GLU  28  10.591  -2.721   1.336
  200    HG2  GLU  28           2HG      GLU  28  11.714  -1.042   3.521
  201    HG3  GLU  28           1HG      GLU  28  10.036  -1.554   3.502
  202    H    ASN  29           H        ASN  29  11.857  -3.960   0.051
  203    HA   ASN  29           HA       ASN  29  11.938  -2.960  -2.727
  204    HB2  ASN  29           2HB      ASN  29  12.819  -5.646  -1.647
  205    HB3  ASN  29           1HB      ASN  29  12.574  -5.325  -3.360
  206   HD21  ASN  29          1HD2      ASN  29  14.974  -6.047  -1.780
  207   HD22  ASN  29          2HD2      ASN  29  16.149  -4.832  -2.163
  208    H    TRP  30           H        TRP  30   9.937  -2.875  -3.488
  209    HA   TRP  30           HA       TRP  30   7.606  -3.415  -2.312
  210    HB2  TRP  30           2HB      TRP  30   7.462  -2.255  -4.300
  211    HB3  TRP  30           1HB      TRP  30   8.312  -3.485  -5.201
  212    HD1  TRP  30           HD       TRP  30   6.873  -4.725  -6.685
  213    HE1  TRP  30           1HE      TRP  30   4.392  -5.453  -6.819
  214    HE3  TRP  30           3HE      TRP  30   5.316  -2.804  -2.279
  215    HZ2  TRP  30           2HZ      TRP  30   2.084  -5.238  -5.188
  216    HZ3  TRP  30           3HZ      TRP  30   2.990  -3.091  -1.617
  217    HH2  TRP  30           HH       TRP  30   1.391  -4.284  -3.030
  218    H    LEU  31           H        LEU  31   9.089  -5.826  -4.469
  219    HA   LEU  31           HA       LEU  31   6.963  -7.586  -4.457
  220    HB2  LEU  31           2HB      LEU  31   9.902  -7.988  -4.867
  221    HB3  LEU  31           1HB      LEU  31   8.715  -9.248  -5.131
  222    HG   LEU  31           HG       LEU  31   9.194  -8.298  -7.212
  223   HD11  LEU  31          1HD1      LEU  31   6.871  -8.821  -6.891
  224   HD12  LEU  31          2HD1      LEU  31   7.046  -7.429  -7.960
  225   HD13  LEU  31          3HD1      LEU  31   6.585  -7.194  -6.274
  226   HD21  LEU  31          3HD2      LEU  31   9.133  -6.010  -7.817
  227   HD22  LEU  31          1HD2      LEU  31  10.167  -6.174  -6.399
  228   HD23  LEU  31          2HD2      LEU  31   8.518  -5.563  -6.228
  229    H    SER  32           H        SER  32  10.002  -7.938  -2.655
  230    HA   SER  32           HA       SER  32   9.177  -9.977  -0.965
  231    HB2  SER  32           2HB      SER  32  11.080  -7.925  -0.003
  232    HB3  SER  32           1HB      SER  32  11.173  -9.669   0.131
  233    HG   SER  32           HG       SER  32  12.662  -8.822  -1.401
  234    H    VAL  33           H        VAL  33   8.689  -6.483  -0.670
  235    HA   VAL  33           HA       VAL  33   7.788  -6.599   2.048
  236    HB   VAL  33           HB       VAL  33   6.908  -4.498   0.064
  237   HG11  VAL  33          1HG1      VAL  33   5.828  -4.468   2.246
  238   HG12  VAL  33          2HG1      VAL  33   6.868  -3.060   2.029
  239   HG13  VAL  33          3HG1      VAL  33   7.407  -4.407   3.030
  240   HG21  VAL  33          3HG2      VAL  33   9.332  -4.753  -0.118
  241   HG22  VAL  33          1HG2      VAL  33   9.475  -4.538   1.627
  242   HG23  VAL  33          2HG2      VAL  33   8.877  -3.216   0.618
  243    H    SER  34           H        SER  34   6.260  -6.946  -1.086
  244    HA   SER  34           HA       SER  34   3.576  -7.000  -0.169
  245    HB2  SER  34           2HB      SER  34   4.126  -6.665  -2.537
  246    HB3  SER  34           1HB      SER  34   4.873  -8.257  -2.613
  247    HG   SER  34           HG       SER  34   2.918  -9.205  -2.516
  248    H    ARG  35           H        ARG  35   6.110  -9.409  -0.380
  249    HA   ARG  35           HA       ARG  35   4.751 -11.731   0.261
  250    HB2  ARG  35           2HB      ARG  35   7.448 -10.803   1.199
  251    HB3  ARG  35           1HB      ARG  35   6.906 -12.424   0.973
  252    HG2  ARG  35           2HG      ARG  35   7.191 -10.469  -1.175
  253    HG3  ARG  35           1HG      ARG  35   8.336 -11.718  -0.776
  254    HD2  ARG  35           2HD      ARG  35   6.580 -13.371  -1.143
  255    HD3  ARG  35           1HD      ARG  35   5.509 -12.091  -1.685
  256    HE   ARG  35           HE       ARG  35   8.063 -12.502  -3.069
  257   HH11  ARG  35          1HH1      ARG  35   4.563 -12.747  -3.100
  258   HH12  ARG  35          2HH1      ARG  35   4.462 -12.801  -4.832
  259   HH21  ARG  35          1HH2      ARG  35   7.916 -12.565  -5.350
  260   HH22  ARG  35          2HH2      ARG  35   6.350 -12.716  -6.107
  261    H    LYS  36           H        LYS  36   6.509  -9.517   2.262
  262    HA   LYS  36           HA       LYS  36   5.760 -10.226   4.815
  263    HB2  LYS  36           2HB      LYS  36   6.080  -7.422   3.746
  264    HB3  LYS  36           1HB      LYS  36   6.295  -7.934   5.395
  265    HG2  LYS  36           2HG      LYS  36   8.138  -9.328   4.677
  266    HG3  LYS  36           1HG      LYS  36   7.982  -8.698   3.063
  267    HD2  LYS  36           2HD      LYS  36   8.455  -6.500   3.881
  268    HD3  LYS  36           1HD      LYS  36   8.536  -7.076   5.535
  269    HE2  LYS  36           2HE      LYS  36  10.452  -8.468   4.949
  270    HE3  LYS  36           1HE      LYS  36  10.365  -7.902   3.281
  271    HZ1  LYS  36           3HZ      LYS  36  10.901  -5.690   3.990
  272    HZ2  LYS  36           1HZ      LYS  36  12.062  -6.750   4.632
  273    HZ3  LYS  36           2HZ      LYS  36  10.831  -6.133   5.624
  274    H    MET  37           H        MET  37   4.415  -7.659   2.941
  275    HA   MET  37           HA       MET  37   2.360  -6.879   4.634
  276    HB2  MET  37           2HB      MET  37   3.085  -6.413   1.798
  277    HB3  MET  37           1HB      MET  37   1.482  -5.916   2.305
  278    HG2  MET  37           2HG      MET  37   2.353  -4.415   3.912
  279    HG3  MET  37           1HG      MET  37   3.971  -5.102   3.772
  280    HE1  MET  37           3HE      MET  37   2.023  -2.750   0.312
  281    HE2  MET  37           1HE      MET  37   1.183  -3.033   1.840
  282    HE3  MET  37           2HE      MET  37   1.573  -4.389   0.782
  283    H    GLN  38           H        GLN  38   2.272  -9.439   2.213
  284    HA   GLN  38           HA       GLN  38  -0.511  -9.452   1.814
  285    HB2  GLN  38           2HB      GLN  38  -0.241 -11.669   0.927
  286    HB3  GLN  38           1HB      GLN  38   1.049 -10.639   0.339
  287    HG2  GLN  38           2HG      GLN  38   2.546 -11.627   2.008
  288    HG3  GLN  38           1HG      GLN  38   1.242 -12.678   2.527
  289   HE21  GLN  38          1HE2      GLN  38   1.777 -11.796  -0.781
  290   HE22  GLN  38          2HE2      GLN  38   2.256 -13.369  -1.301
  291    H    ALA  39           H        ALA  39   1.409 -10.555   4.415
  292    HA   ALA  39           HA       ALA  39  -0.565 -12.271   5.587
  293    HB1  ALA  39           1HB      ALA  39   0.893 -12.305   7.535
  294    HB2  ALA  39           2HB      ALA  39   1.847 -10.984   6.862
  295    HB3  ALA  39           3HB      ALA  39   1.824 -12.554   6.059
  296    H    SER  40           H        SER  40  -1.178  -9.371   4.892
  297    HA   SER  40           HA       SER  40  -2.580  -8.803   7.382
  298    HB2  SER  40           2HB      SER  40  -1.193  -6.758   5.638
  299    HB3  SER  40           1HB      SER  40  -2.239  -6.389   7.000
  300    HG   SER  40           HG       SER  40   0.321  -7.579   7.002
  301    HA   PRO  41           HA       PRO  41  -6.171  -9.059   4.815
  302    HB2  PRO  41           2HB      PRO  41  -7.631  -7.398   6.524
  303    HB3  PRO  41           1HB      PRO  41  -7.535  -9.141   6.592
  304    HG2  PRO  41           2HG      PRO  41  -6.106  -7.138   8.176
  305    HG3  PRO  41           1HG      PRO  41  -6.638  -8.750   8.630
  306    HD2  PRO  41           2HD      PRO  41  -4.062  -8.199   8.139
  307    HD3  PRO  41           1HD      PRO  41  -4.774  -9.768   7.710
  308    H    GLU  42           H        GLU  42  -4.921  -6.108   6.046
  309    HA   GLU  42           HA       GLU  42  -6.472  -4.361   4.493
  310    HB2  GLU  42           2HB      GLU  42  -3.738  -3.963   5.676
  311    HB3  GLU  42           1HB      GLU  42  -4.719  -2.677   4.994
  312    HG2  GLU  42           2HG      GLU  42  -4.957  -2.547   7.322
  313    HG3  GLU  42           1HG      GLU  42  -6.443  -3.234   6.698
  314    H    TYR  43           H        TYR  43  -3.166  -5.556   3.925
  315    HA   TYR  43           HA       TYR  43  -2.841  -4.303   1.438
  316    HB2  TYR  43           2HB      TYR  43  -0.853  -5.160   2.226
  317    HB3  TYR  43           1HB      TYR  43  -1.594  -6.647   2.794
  318    HD1  TYR  43           2HD      TYR  43  -2.030  -8.493   1.189
  319    HD2  TYR  43           1HD      TYR  43   0.003  -4.953  -0.012
  320    HE1  TYR  43           2HE      TYR  43  -1.251  -9.638  -0.841
  321    HE2  TYR  43           1HE      TYR  43   0.791  -6.093  -2.044
  322    HH   TYR  43           HH       TYR  43   1.172  -8.310  -2.871
  323    H    GLN  44           H        GLN  44  -4.246  -7.386   2.374
  324    HA   GLN  44           HA       GLN  44  -4.851  -8.465  -0.120
  325    HB2  GLN  44           2HB      GLN  44  -6.611  -8.532   2.326
  326    HB3  GLN  44           1HB      GLN  44  -6.625  -9.674   0.991
  327    HG2  GLN  44           2HG      GLN  44  -4.083  -9.329   2.436
  328    HG3  GLN  44           1HG      GLN  44  -5.408 -10.114   3.282
  329   HE21  GLN  44          1HE2      GLN  44  -2.876 -11.234   2.389
  330   HE22  GLN  44          2HE2      GLN  44  -3.271 -12.534   1.315
  331    H    ASP  45           H        ASP  45  -6.896  -6.505   1.991
  332    HA   ASP  45           HA       ASP  45  -9.105  -6.419   0.336
  333    HB2  ASP  45           2HB      ASP  45 -10.069  -4.953   1.829
  334    HB3  ASP  45           1HB      ASP  45  -8.840  -5.694   2.810
  335    H    TYR  46           H        TYR  46  -6.385  -4.159   0.334
  336    HA   TYR  46           HA       TYR  46  -7.643  -2.449  -1.588
  337    HB2  TYR  46           2HB      TYR  46  -5.954  -1.530  -0.076
  338    HB3  TYR  46           1HB      TYR  46  -4.736  -2.579  -0.799
  339    HD1  TYR  46           1HD      TYR  46  -7.028   0.246  -1.504
  340    HD2  TYR  46           2HD      TYR  46  -3.623  -1.952  -2.796
  341    HE1  TYR  46           1HE      TYR  46  -6.588   1.947  -3.221
  342    HE2  TYR  46           2HE      TYR  46  -3.172  -0.254  -4.516
  343    HH   TYR  46           HH       TYR  46  -4.354   1.462  -5.758
  344    H    VAL  47           H        VAL  47  -5.320  -5.072  -1.810
  345    HA   VAL  47           HA       VAL  47  -4.937  -4.621  -4.590
  346    HB   VAL  47           HB       VAL  47  -4.277  -7.033  -2.898
  347   HG11  VAL  47          1HG1      VAL  47  -4.505  -7.742  -5.200
  348   HG12  VAL  47          2HG1      VAL  47  -2.802  -7.736  -4.740
  349   HG13  VAL  47          3HG1      VAL  47  -3.453  -6.432  -5.733
  350   HG21  VAL  47          3HG2      VAL  47  -2.516  -4.827  -3.952
  351   HG22  VAL  47          1HG2      VAL  47  -1.984  -6.211  -2.996
  352   HG23  VAL  47          2HG2      VAL  47  -3.061  -5.008  -2.284
  353    H    TYR  48           H        TYR  48  -7.235  -6.214  -2.672
  354    HA   TYR  48           HA       TYR  48  -8.315  -8.026  -4.553
  355    HB2  TYR  48           2HB      TYR  48  -8.694  -8.385  -2.262
  356    HB3  TYR  48           1HB      TYR  48  -9.187  -6.729  -1.991
  357    HD1  TYR  48           2HD      TYR  48 -10.237  -9.963  -3.392
  358    HD2  TYR  48           1HD      TYR  48 -11.370  -6.055  -2.222
  359    HE1  TYR  48           2HE      TYR  48 -12.607 -10.639  -3.517
  360    HE2  TYR  48           1HE      TYR  48 -13.759  -6.705  -2.322
  361    HH   TYR  48           HH       TYR  48 -15.120  -8.525  -3.604
  362    H    LEU  49           H        LEU  49  -9.335  -4.839  -3.371
  363    HA   LEU  49           HA       LEU  49 -11.421  -4.465  -5.259
  364    HB2  LEU  49           2HB      LEU  49  -9.825  -2.282  -3.953
  365    HB3  LEU  49           1HB      LEU  49 -11.467  -2.182  -4.551
  366    HG   LEU  49           HG       LEU  49 -10.572  -3.828  -2.214
  367   HD11  LEU  49          1HD1      LEU  49 -11.952  -1.151  -2.315
  368   HD12  LEU  49          2HD1      LEU  49 -10.321  -1.476  -1.729
  369   HD13  LEU  49          3HD1      LEU  49 -11.713  -2.114  -0.856
  370   HD21  LEU  49          3HD2      LEU  49 -13.349  -3.109  -3.156
  371   HD22  LEU  49          1HD2      LEU  49 -12.945  -4.072  -1.735
  372   HD23  LEU  49          2HD2      LEU  49 -12.583  -4.687  -3.348
  373    H    GLU  50           H        GLU  50  -8.259  -2.917  -5.012
  374    HA   GLU  50           HA       GLU  50  -8.516  -1.864  -7.701
  375    HB2  GLU  50           2HB      GLU  50  -6.397  -1.541  -5.584
  376    HB3  GLU  50           1HB      GLU  50  -6.266  -0.827  -7.184
  377    HG2  GLU  50           2HG      GLU  50  -8.529  -0.308  -5.280
  378    HG3  GLU  50           1HG      GLU  50  -7.106   0.717  -5.436
  379    H    GLY  51           H        GLY  51  -5.553  -3.234  -6.306
  380    HA2  GLY  51           2HA      GLY  51  -5.208  -5.535  -7.677
  381    HA3  GLY  51           1HA      GLY  51  -4.894  -4.321  -8.906
  382    H    THR  52           H        THR  52  -2.945  -6.074  -8.291
  383    HA   THR  52           HA       THR  52  -1.234  -5.237  -6.179
  384    HB   THR  52           HB       THR  52  -0.021  -6.715  -8.418
  385    HG1  THR  52           1HG      THR  52  -1.457  -8.288  -8.507
  386   HG21  THR  52          3HG2      THR  52  -0.356  -7.297  -5.472
  387   HG22  THR  52          1HG2      THR  52   1.040  -6.519  -6.221
  388   HG23  THR  52          2HG2      THR  52   0.663  -8.202  -6.591
  389    H    GLN  53           H        GLN  53  -1.455  -4.515  -9.618
  390    HA   GLN  53           HA       GLN  53   1.072  -3.231  -9.817
  391    HB2  GLN  53           2HB      GLN  53   0.215  -2.328 -11.948
  392    HB3  GLN  53           1HB      GLN  53  -0.017  -4.060 -11.799
  393    HG2  GLN  53           2HG      GLN  53  -2.321  -3.759 -11.234
  394    HG3  GLN  53           1HG      GLN  53  -2.093  -2.020 -11.238
  395   HE21  GLN  53          1HE2      GLN  53  -3.889  -3.724 -12.811
  396   HE22  GLN  53          2HE2      GLN  53  -3.547  -3.369 -14.467
  397    H    LYS  54           H        LYS  54  -2.092  -2.176  -8.855
  398    HA   LYS  54           HA       LYS  54  -1.464   0.602  -8.797
  399    HB2  LYS  54           2HB      LYS  54  -3.664  -1.011  -7.741
  400    HB3  LYS  54           1HB      LYS  54  -3.525   0.679  -7.354
  401    HG2  LYS  54           2HG      LYS  54  -3.385   1.097  -9.798
  402    HG3  LYS  54           1HG      LYS  54  -3.874  -0.573 -10.006
  403    HD2  LYS  54           2HD      LYS  54  -5.818  -0.129  -8.606
  404    HD3  LYS  54           1HD      LYS  54  -5.389   1.571  -8.570
  405    HE2  LYS  54           2HE      LYS  54  -5.637   1.710 -10.984
  406    HE3  LYS  54           1HE      LYS  54  -6.010  -0.012 -11.064
  407    HZ1  LYS  54           3HZ      LYS  54  -8.072   0.298 -10.130
  408    HZ2  LYS  54           1HZ      LYS  54  -7.917   1.707 -11.057
  409    HZ3  LYS  54           2HZ      LYS  54  -7.656   1.759  -9.379
  410    H    ALA  55           H        ALA  55  -1.716  -1.961  -6.448
  411    HA   ALA  55           HA       ALA  55  -0.883  -0.558  -4.155
  412    HB1  ALA  55           1HB      ALA  55  -1.891  -2.797  -4.112
  413    HB2  ALA  55           2HB      ALA  55  -0.351  -2.766  -3.251
  414    HB3  ALA  55           3HB      ALA  55  -0.444  -3.464  -4.869
  415    H    LYS  56           H        LYS  56   0.953  -2.268  -6.671
  416    HA   LYS  56           HA       LYS  56   3.551  -1.942  -5.879
  417    HB2  LYS  56           2HB      LYS  56   2.123  -2.468  -8.246
  418    HB3  LYS  56           1HB      LYS  56   3.184  -1.146  -8.639
  419    HG2  LYS  56           2HG      LYS  56   4.101  -3.729  -7.453
  420    HG3  LYS  56           1HG      LYS  56   4.037  -3.388  -9.177
  421    HD2  LYS  56           2HD      LYS  56   5.465  -1.321  -8.559
  422    HD3  LYS  56           1HD      LYS  56   5.782  -2.194  -7.076
  423    HE2  LYS  56           2HE      LYS  56   7.536  -2.571  -8.740
  424    HE3  LYS  56           1HE      LYS  56   6.678  -4.062  -8.356
  425    HZ1  LYS  56           3HZ      LYS  56   7.146  -3.571 -10.788
  426    HZ2  LYS  56           1HZ      LYS  56   5.925  -2.400 -10.683
  427    HZ3  LYS  56           2HZ      LYS  56   5.563  -4.031 -10.384
  428    H    LYS  57           H        LYS  57   1.851   0.379  -8.023
  429    HA   LYS  57           HA       LYS  57   3.688   2.413  -7.844
  430    HB2  LYS  57           2HB      LYS  57   0.748   2.329  -8.487
  431    HB3  LYS  57           1HB      LYS  57   1.744   3.734  -8.723
  432    HG2  LYS  57           2HG      LYS  57   1.907   1.103 -10.123
  433    HG3  LYS  57           1HG      LYS  57   1.644   2.703 -10.822
  434    HD2  LYS  57           2HD      LYS  57   3.959   3.264  -9.945
  435    HD3  LYS  57           1HD      LYS  57   4.175   1.549  -9.682
  436    HE2  LYS  57           2HE      LYS  57   3.902   1.102 -11.969
  437    HE3  LYS  57           1HE      LYS  57   3.394   2.740 -12.325
  438    HZ1  LYS  57           3HZ      LYS  57   6.099   1.962 -11.362
  439    HZ2  LYS  57           1HZ      LYS  57   5.601   3.520 -11.801
  440    HZ3  LYS  57           2HZ      LYS  57   5.704   2.304 -12.974
  441    H    LEU  58           H        LEU  58   0.925   1.681  -5.775
  442    HA   LEU  58           HA       LEU  58   0.881   4.147  -4.361
  443    HB2  LEU  58           2HB      LEU  58  -0.957   2.445  -4.410
  444    HB3  LEU  58           1HB      LEU  58   0.035   1.378  -3.459
  445    HG   LEU  58           HG       LEU  58  -0.379   2.498  -1.521
  446   HD11  LEU  58          1HD1      LEU  58   0.463   4.694  -2.188
  447   HD12  LEU  58          2HD1      LEU  58  -1.090   4.855  -1.371
  448   HD13  LEU  58          3HD1      LEU  58  -1.007   4.983  -3.126
  449   HD21  LEU  58          3HD2      LEU  58  -2.469   1.641  -2.474
  450   HD22  LEU  58          1HD2      LEU  58  -2.776   3.224  -3.189
  451   HD23  LEU  58          2HD2      LEU  58  -2.738   3.042  -1.434
  452    H    PHE  59           H        PHE  59   2.479   1.026  -3.741
  453    HA   PHE  59           HA       PHE  59   3.953   1.715  -1.476
  454    HB2  PHE  59           2HB      PHE  59   4.035  -0.548  -2.179
  455    HB3  PHE  59           1HB      PHE  59   4.553  -0.112  -3.803
  456    HD1  PHE  59           1HD      PHE  59   5.686  -0.047  -0.258
  457    HD2  PHE  59           2HD      PHE  59   6.800  -0.201  -4.365
  458    HE1  PHE  59           1HE      PHE  59   8.033  -0.412   0.386
  459    HE2  PHE  59           2HE      PHE  59   9.143  -0.553  -3.719
  460    HZ   PHE  59           HZ       PHE  59   9.761  -0.663  -1.343
  461    H    LEU  60           H        LEU  60   4.864   2.052  -4.894
  462    HA   LEU  60           HA       LEU  60   7.332   3.281  -4.619
  463    HB2  LEU  60           2HB      LEU  60   5.213   3.367  -6.711
  464    HB3  LEU  60           1HB      LEU  60   6.544   4.488  -6.823
  465    HG   LEU  60           HG       LEU  60   6.830   2.543  -8.188
  466   HD11  LEU  60          1HD1      LEU  60   8.798   3.689  -7.324
  467   HD12  LEU  60          2HD1      LEU  60   9.104   1.958  -7.488
  468   HD13  LEU  60          3HD1      LEU  60   8.780   2.653  -5.898
  469   HD21  LEU  60          3HD2      LEU  60   5.643   0.877  -6.934
  470   HD22  LEU  60          1HD2      LEU  60   6.820   0.982  -5.626
  471   HD23  LEU  60          2HD2      LEU  60   7.305   0.343  -7.197
  472    H    GLN  61           H        GLN  61   4.201   4.871  -5.088
  473    HA   GLN  61           HA       GLN  61   5.146   7.484  -4.898
  474    HB2  GLN  61           2HB      GLN  61   2.897   8.168  -4.801
  475    HB3  GLN  61           1HB      GLN  61   2.861   6.673  -5.682
  476    HG2  GLN  61           2HG      GLN  61   2.054   5.499  -3.810
  477    HG3  GLN  61           1HG      GLN  61   2.299   6.901  -2.802
  478   HE21  GLN  61          1HE2      GLN  61   0.347   5.531  -5.312
  479   HE22  GLN  61          2HE2      GLN  61  -0.977   6.626  -5.136
  480    H    HIS  62           H        HIS  62   4.080   5.291  -2.319
  481    HA   HIS  62           HA       HIS  62   4.314   7.261  -0.256
  482    HB2  HIS  62           2HB      HIS  62   3.147   4.955  -0.030
  483    HB3  HIS  62           1HB      HIS  62   4.759   4.304   0.194
  484    HD1  HIS  62           1HD      HIS  62   5.531   4.246   2.527
  485    HD2  HIS  62           2HD      HIS  62   2.589   7.125   1.904
  486    HE1  HIS  62           1HE      HIS  62   5.029   5.216   4.756
  487    HE2  HIS  62           2HE      HIS  62   3.433   7.116   4.343
  488    H    ILE  63           H        ILE  63   6.500   4.869  -1.641
  489    HA   ILE  63           HA       ILE  63   8.705   5.195  -0.032
  490    HB   ILE  63           HB       ILE  63   8.549   4.843  -3.009
  491   HG12  ILE  63          2HG1      ILE  63   7.729   3.035  -1.543
  492   HG13  ILE  63          1HG1      ILE  63   9.140   2.578  -2.458
  493   HG21  ILE  63          1HG2      ILE  63  10.663   5.954  -2.508
  494   HG22  ILE  63          2HG2      ILE  63  10.936   4.272  -2.962
  495   HG23  ILE  63          3HG2      ILE  63  11.014   4.752  -1.266
  496   HD11  ILE  63          3HD1      ILE  63   9.251   1.756  -0.186
  497   HD12  ILE  63          1HD1      ILE  63   9.152   3.415   0.404
  498   HD13  ILE  63          2HD1      ILE  63  10.552   2.895  -0.533
  499    H    HIS  64           H        HIS  64   7.706   7.135  -2.799
  500    HA   HIS  64           HA       HIS  64   9.798   9.046  -2.761
  501    HB2  HIS  64           2HB      HIS  64   8.421   9.007  -4.683
  502    HB3  HIS  64           1HB      HIS  64   6.954   8.998  -3.764
  503    HD1  HIS  64           1HD      HIS  64   7.265  11.382  -2.135
  504    HD2  HIS  64           2HD      HIS  64   8.267  11.325  -6.137
  505    HE1  HIS  64           1HE      HIS  64   7.350  13.801  -2.830
  506    HE2  HIS  64           2HE      HIS  64   7.577  13.702  -5.355
  507    H    ARG  65           H        ARG  65   6.529   9.120  -1.361
  508    HA   ARG  65           HA       ARG  65   6.633  11.470  -0.034
  509    HB2  ARG  65           2HB      ARG  65   5.451   8.913   0.693
  510    HB3  ARG  65           1HB      ARG  65   5.081  10.401   1.485
  511    HG2  ARG  65           2HG      ARG  65   4.259  11.322  -0.387
  512    HG3  ARG  65           1HG      ARG  65   4.942  10.100  -1.434
  513    HD2  ARG  65           2HD      ARG  65   2.801   9.499  -1.334
  514    HD3  ARG  65           1HD      ARG  65   3.503   8.519  -0.073
  515    HE   ARG  65           HE       ARG  65   2.623  10.863   1.135
  516   HH11  ARG  65          1HH1      ARG  65   1.167   8.184  -0.594
  517   HH12  ARG  65          2HH1      ARG  65  -0.307   8.205   0.330
  518   HH21  ARG  65          1HH2      ARG  65   0.682  10.910   2.357
  519   HH22  ARG  65          2HH2      ARG  65  -0.577   9.753   2.008
  520    H    LEU  66           H        LEU  66   7.459   8.370   1.367
  521    HA   LEU  66           HA       LEU  66   8.723   8.987   3.709
  522    HB2  LEU  66           2HB      LEU  66   9.589   6.981   1.646
  523    HB3  LEU  66           1HB      LEU  66  10.075   6.950   3.311
  524    HG   LEU  66           HG       LEU  66   7.246   6.752   2.383
  525   HD11  LEU  66          1HD1      LEU  66   9.152   4.568   3.209
  526   HD12  LEU  66          2HD1      LEU  66   8.507   4.827   1.588
  527   HD13  LEU  66          3HD1      LEU  66   7.428   4.362   2.902
  528   HD21  LEU  66          3HD2      LEU  66   8.594   6.279   5.021
  529   HD22  LEU  66          1HD2      LEU  66   6.897   5.935   4.683
  530   HD23  LEU  66          2HD2      LEU  66   7.493   7.595   4.621
  531    H    LYS  67           H        LYS  67  10.149   8.856   0.544
  532    HA   LYS  67           HA       LYS  67  12.748   9.641   1.077
  533    HB2  LYS  67           2HB      LYS  67  10.943  10.002  -1.306
  534    HB3  LYS  67           1HB      LYS  67  12.637  10.324  -1.350
  535    HG2  LYS  67           2HG      LYS  67  12.942   8.004  -0.494
  536    HG3  LYS  67           1HG      LYS  67  11.281   7.742  -0.978
  537    HD2  LYS  67           2HD      LYS  67  13.668   8.326  -2.631
  538    HD3  LYS  67           1HD      LYS  67  12.515   7.019  -2.813
  539    HE2  LYS  67           2HE      LYS  67  10.830   8.777  -3.424
  540    HE3  LYS  67           1HE      LYS  67  12.151   9.934  -3.459
  541    HZ1  LYS  67           3HZ      LYS  67  11.707   9.088  -5.671
  542    HZ2  LYS  67           1HZ      LYS  67  11.955   7.492  -5.144
  543    HZ3  LYS  67           2HZ      LYS  67  13.242   8.596  -5.146
  544    H    HIS  68           H        HIS  68   9.973  11.618   0.122
  545    HA   HIS  68           HA       HIS  68  10.792  13.951   1.333
  546    HB2  HIS  68           2HB      HIS  68  11.435  15.210  -0.688
  547    HB3  HIS  68           1HB      HIS  68  12.617  14.019  -0.214
  548    HD1  HIS  68           1HD      HIS  68  10.354  11.967  -1.719
  549    HD2  HIS  68           2HD      HIS  68  12.801  14.946  -3.253
  550    HE1  HIS  68           1HE      HIS  68  10.661  11.407  -4.168
  551    HE2  HIS  68           2HE      HIS  68  12.026  13.310  -5.102
  552    H    GLU  69           H        GLU  69   8.664  14.228   1.838
  553    HA   GLU  69           HA       GLU  69   6.794  14.467  -0.411
  554    HB2  GLU  69           2HB      GLU  69   6.438  13.122   1.914
  555    HB3  GLU  69           1HB      GLU  69   5.703  14.662   2.300
  556    HG2  GLU  69           2HG      GLU  69   4.509  14.340   0.055
  557    HG3  GLU  69           1HG      GLU  69   4.947  12.657   0.244
  Start of MODEL   10
    1    H    SER   5           H        SER   5 -19.887   1.848  -2.326
    2    HA   SER   5           HA       SER   5 -17.633   3.542  -2.890
    3    HB2  SER   5           2HB      SER   5 -19.110   5.311  -1.848
    4    HB3  SER   5           1HB      SER   5 -19.800   4.483  -3.244
    5    HG   SER   5           HG       SER   5 -21.271   4.697  -1.476
    6    H    GLN   6           H        GLN   6 -17.096   5.216  -1.043
    7    HA   GLN   6           HA       GLN   6 -15.956   5.653   0.815
    8    HB2  GLN   6           2HB      GLN   6 -17.535   3.378   2.001
    9    HB3  GLN   6           1HB      GLN   6 -16.620   4.587   2.872
   10    HG2  GLN   6           2HG      GLN   6 -18.076   6.332   2.167
   11    HG3  GLN   6           1HG      GLN   6 -18.929   5.235   1.084
   12   HE21  GLN   6          1HE2      GLN   6 -17.884   4.340   4.302
   13   HE22  GLN   6          2HE2      GLN   6 -19.477   4.215   4.978
   14    H    GLN   7           H        GLN   7 -16.170   2.135   0.366
   15    HA   GLN   7           HA       GLN   7 -13.790   1.399   1.619
   16    HB2  GLN   7           2HB      GLN   7 -15.690  -0.047   0.703
   17    HB3  GLN   7           1HB      GLN   7 -14.847   0.025  -0.828
   18    HG2  GLN   7           2HG      GLN   7 -14.363  -1.989   0.435
   19    HG3  GLN   7           1HG      GLN   7 -12.944  -1.008   0.164
   20   HE21  GLN   7          1HE2      GLN   7 -11.915  -2.109   1.889
   21   HE22  GLN   7          2HE2      GLN   7 -12.296  -1.708   3.531
   22    H    ILE   8           H        ILE   8 -14.389   2.708  -1.549
   23    HA   ILE   8           HA       ILE   8 -12.021   2.140  -2.870
   24    HB   ILE   8           HB       ILE   8 -13.596   4.709  -3.080
   25   HG12  ILE   8          2HG1      ILE   8 -13.949   2.146  -4.639
   26   HG13  ILE   8          1HG1      ILE   8 -14.985   2.661  -3.323
   27   HG21  ILE   8          1HG2      ILE   8 -12.764   4.765  -5.371
   28   HG22  ILE   8          2HG2      ILE   8 -11.824   3.307  -5.063
   29   HG23  ILE   8          3HG2      ILE   8 -11.443   4.800  -4.204
   30   HD11  ILE   8          3HD1      ILE   8 -15.645   4.626  -4.590
   31   HD12  ILE   8          1HD1      ILE   8 -15.989   3.143  -5.479
   32   HD13  ILE   8          2HD1      ILE   8 -14.591   4.128  -5.912
   33    H    ALA   9           H        ALA   9 -12.682   4.445  -0.393
   34    HA   ALA   9           HA       ALA   9 -10.107   5.767  -0.767
   35    HB1  ALA   9           1HB      ALA   9 -10.932   7.472   0.753
   36    HB2  ALA   9           2HB      ALA   9 -12.390   6.522   1.043
   37    HB3  ALA   9           3HB      ALA   9 -12.081   7.199  -0.557
   38    H    THR  10           H        THR  10 -12.007   4.497   1.920
   39    HA   THR  10           HA       THR  10 -10.011   4.675   3.852
   40    HB   THR  10           HB       THR  10 -11.389   3.000   5.121
   41    HG1  THR  10           1HG      THR  10 -13.017   2.033   4.151
   42   HG21  THR  10          3HG2      THR  10 -13.271   4.545   5.441
   43   HG22  THR  10          1HG2      THR  10 -12.806   5.403   3.970
   44   HG23  THR  10          2HG2      THR  10 -11.730   5.400   5.368
   45    H    ALA  11           H        ALA  11 -10.827   1.964   1.702
   46    HA   ALA  11           HA       ALA  11  -9.121   0.078   2.935
   47    HB1  ALA  11           1HB      ALA  11  -9.251  -1.176   0.850
   48    HB2  ALA  11           2HB      ALA  11  -9.937   0.230   0.034
   49    HB3  ALA  11           3HB      ALA  11 -10.843  -0.576   1.315
   50    H    LYS  12           H        LYS  12  -8.643   2.355   0.280
   51    HA   LYS  12           HA       LYS  12  -5.953   1.666  -0.219
   52    HB2  LYS  12           2HB      LYS  12  -7.212   2.891  -1.885
   53    HB3  LYS  12           1HB      LYS  12  -7.472   4.224  -0.768
   54    HG2  LYS  12           2HG      LYS  12  -5.190   4.843  -0.830
   55    HG3  LYS  12           1HG      LYS  12  -4.741   3.356  -1.664
   56    HD2  LYS  12           2HD      LYS  12  -6.010   4.076  -3.628
   57    HD3  LYS  12           1HD      LYS  12  -6.463   5.563  -2.789
   58    HE2  LYS  12           2HE      LYS  12  -3.617   4.732  -3.307
   59    HE3  LYS  12           1HE      LYS  12  -4.530   5.785  -4.378
   60    HZ1  LYS  12           3HZ      LYS  12  -3.119   7.010  -2.815
   61    HZ2  LYS  12           1HZ      LYS  12  -3.978   6.347  -1.506
   62    HZ3  LYS  12           2HZ      LYS  12  -4.759   7.379  -2.607
   63    H    ASP  13           H        ASP  13  -7.500   4.062   1.830
   64    HA   ASP  13           HA       ASP  13  -5.200   5.454   2.664
   65    HB2  ASP  13           2HB      ASP  13  -7.725   6.031   2.949
   66    HB3  ASP  13           1HB      ASP  13  -7.648   5.017   4.386
   67    H    LYS  14           H        LYS  14  -6.902   2.689   4.200
   68    HA   LYS  14           HA       LYS  14  -5.072   2.559   6.344
   69    HB2  LYS  14           2HB      LYS  14  -7.518   1.710   6.120
   70    HB3  LYS  14           1HB      LYS  14  -6.776   0.283   5.410
   71    HG2  LYS  14           2HG      LYS  14  -6.341  -0.489   7.383
   72    HG3  LYS  14           1HG      LYS  14  -5.361   0.912   7.773
   73    HD2  LYS  14           2HD      LYS  14  -6.996   0.838   9.460
   74    HD3  LYS  14           1HD      LYS  14  -7.560   2.074   8.336
   75    HE2  LYS  14           2HE      LYS  14  -9.445   0.749   8.905
   76    HE3  LYS  14           1HE      LYS  14  -8.983   0.301   7.264
   77    HZ1  LYS  14           3HZ      LYS  14  -9.520  -1.590   8.788
   78    HZ2  LYS  14           1HZ      LYS  14  -8.118  -1.214   9.662
   79    HZ3  LYS  14           2HZ      LYS  14  -8.003  -1.697   8.040
   80    H    TYR  15           H        TYR  15  -5.379   0.937   3.207
   81    HA   TYR  15           HA       TYR  15  -3.197  -0.813   3.404
   82    HB2  TYR  15           2HB      TYR  15  -4.640  -0.917   1.464
   83    HB3  TYR  15           1HB      TYR  15  -4.236   0.741   1.022
   84    HD1  TYR  15           1HD      TYR  15  -3.073  -2.717   1.103
   85    HD2  TYR  15           2HD      TYR  15  -2.084   1.285  -0.059
   86    HE1  TYR  15           1HE      TYR  15  -1.202  -3.569  -0.242
   87    HE2  TYR  15           2HE      TYR  15  -0.220   0.413  -1.403
   88    HH   TYR  15           HH       TYR  15   1.159  -1.462  -1.653
   89    H    GLU  16           H        GLU  16  -3.412   2.571   2.546
   90    HA   GLU  16           HA       GLU  16  -0.744   2.988   1.907
   91    HB2  GLU  16           2HB      GLU  16  -3.035   4.716   2.712
   92    HB3  GLU  16           1HB      GLU  16  -1.446   5.406   2.613
   93    HG2  GLU  16           2HG      GLU  16  -1.251   4.548   0.315
   94    HG3  GLU  16           1HG      GLU  16  -2.927   4.050   0.431
   95    H    TRP  17           H        TRP  17  -2.375   2.941   5.070
   96    HA   TRP  17           HA       TRP  17   0.064   3.635   6.412
   97    HB2  TRP  17           2HB      TRP  17  -1.731   3.978   7.844
   98    HB3  TRP  17           1HB      TRP  17  -2.523   2.508   7.353
   99    HD1  TRP  17           HD       TRP  17   0.716   3.362   9.217
  100    HE1  TRP  17           1HE      TRP  17   1.054   1.615  11.067
  101    HE3  TRP  17           3HE      TRP  17  -3.203   0.536   8.170
  102    HZ2  TRP  17           2HZ      TRP  17  -0.312  -0.694  11.985
  103    HZ3  TRP  17           3HZ      TRP  17  -3.707  -1.455   9.565
  104    HH2  TRP  17           HH       TRP  17  -2.247  -2.042  11.424
  105    H    LEU  18           H        LEU  18  -1.524   0.630   5.425
  106    HA   LEU  18           HA       LEU  18   0.048  -1.189   6.751
  107    HB2  LEU  18           2HB      LEU  18  -1.318  -1.186   4.097
  108    HB3  LEU  18           1HB      LEU  18  -0.118  -2.433   4.346
  109    HG   LEU  18           HG       LEU  18  -2.698  -2.815   4.850
  110   HD11  LEU  18          1HD1      LEU  18  -2.041  -4.600   6.387
  111   HD12  LEU  18          2HD1      LEU  18  -0.452  -3.860   6.587
  112   HD13  LEU  18          3HD1      LEU  18  -0.937  -4.501   5.017
  113   HD21  LEU  18          3HD2      LEU  18  -1.597  -1.786   7.469
  114   HD22  LEU  18          1HD2      LEU  18  -3.145  -2.601   7.243
  115   HD23  LEU  18          2HD2      LEU  18  -2.860  -1.027   6.499
  116    H    VAL  19           H        VAL  19   0.666   0.437   3.683
  117    HA   VAL  19           HA       VAL  19   3.204  -0.738   3.220
  118    HB   VAL  19           HB       VAL  19   1.591   0.457   1.579
  119   HG11  VAL  19          1HG1      VAL  19   3.234   2.803   2.456
  120   HG12  VAL  19          2HG1      VAL  19   1.483   2.619   2.565
  121   HG13  VAL  19          3HG1      VAL  19   2.261   2.745   0.987
  122   HG21  VAL  19          3HG2      VAL  19   3.446   0.909   0.022
  123   HG22  VAL  19          1HG2      VAL  19   3.616  -0.630   0.866
  124   HG23  VAL  19          2HG2      VAL  19   4.576   0.763   1.368
  125    H    SER  20           H        SER  20   2.176   2.222   4.849
  126    HA   SER  20           HA       SER  20   4.882   3.096   5.288
  127    HB2  SER  20           2HB      SER  20   3.855   4.756   6.820
  128    HB3  SER  20           1HB      SER  20   3.144   4.751   5.211
  129    HG   SER  20           HG       SER  20   2.044   4.072   7.649
  130    H    ARG  21           H        ARG  21   2.761   0.915   6.879
  131    HA   ARG  21           HA       ARG  21   4.002   1.074   9.406
  132    HB2  ARG  21           2HB      ARG  21   2.263  -0.187  10.118
  133    HB3  ARG  21           1HB      ARG  21   1.554   0.244   8.579
  134    HG2  ARG  21           2HG      ARG  21   2.317  -1.730   7.634
  135    HG3  ARG  21           1HG      ARG  21   3.210  -2.168   9.056
  136    HD2  ARG  21           2HD      ARG  21   0.949  -2.102  10.263
  137    HD3  ARG  21           1HD      ARG  21   0.240  -2.121   8.649
  138    HE   ARG  21           HE       ARG  21   2.154  -4.225   9.086
  139   HH11  ARG  21          1HH1      ARG  21  -1.205  -3.307   9.458
  140   HH12  ARG  21          2HH1      ARG  21  -1.780  -4.940   9.542
  141   HH21  ARG  21          1HH2      ARG  21   1.422  -6.368   9.228
  142   HH22  ARG  21          2HH2      ARG  21  -0.277  -6.695   9.426
  143    H    ILE  22           H        ILE  22   4.512  -0.562   6.484
  144    HA   ILE  22           HA       ILE  22   6.500  -2.338   7.720
  145    HB   ILE  22           HB       ILE  22   5.599  -2.319   4.854
  146   HG12  ILE  22          2HG1      ILE  22   3.878  -2.727   6.790
  147   HG13  ILE  22          1HG1      ILE  22   3.877  -3.730   5.368
  148   HG21  ILE  22          1HG2      ILE  22   7.742  -3.426   5.324
  149   HG22  ILE  22          2HG2      ILE  22   6.496  -4.576   4.832
  150   HG23  ILE  22          3HG2      ILE  22   6.940  -4.431   6.530
  151   HD11  ILE  22          3HD1      ILE  22   3.597  -5.077   7.339
  152   HD12  ILE  22          1HD1      ILE  22   5.071  -4.406   8.037
  153   HD13  ILE  22          2HD1      ILE  22   5.159  -5.428   6.602
  154    H    VAL  23           H        VAL  23   6.325  -0.624   4.613
  155    HA   VAL  23           HA       VAL  23   9.090  -0.152   4.356
  156    HB   VAL  23           HB       VAL  23   6.800   1.350   3.108
  157   HG11  VAL  23          1HG1      VAL  23   8.408   1.717   1.275
  158   HG12  VAL  23          2HG1      VAL  23   9.652   0.902   2.224
  159   HG13  VAL  23          3HG1      VAL  23   8.960   2.421   2.795
  160   HG21  VAL  23          3HG2      VAL  23   6.530  -1.060   2.812
  161   HG22  VAL  23          1HG2      VAL  23   8.167  -1.168   2.162
  162   HG23  VAL  23          2HG2      VAL  23   6.928  -0.269   1.286
  163    H    LYS  24           H        LYS  24  10.080   0.933   5.953
  164    HA   LYS  24           HA       LYS  24   8.974   3.468   6.880
  165    HB2  LYS  24           2HB      LYS  24  11.232   1.828   7.929
  166    HB3  LYS  24           1HB      LYS  24  10.666   3.311   8.649
  167    HG2  LYS  24           2HG      LYS  24   8.648   1.266   8.181
  168    HG3  LYS  24           1HG      LYS  24   9.908   0.855   9.324
  169    HD2  LYS  24           2HD      LYS  24   9.397   2.630  10.732
  170    HD3  LYS  24           1HD      LYS  24   8.517   3.466   9.449
  171    HE2  LYS  24           2HE      LYS  24   6.932   1.524   9.458
  172    HE3  LYS  24           1HE      LYS  24   7.708   0.992  10.946
  173    HZ1  LYS  24           3HZ      LYS  24   5.814   2.249  11.572
  174    HZ2  LYS  24           1HZ      LYS  24   6.206   3.515  10.518
  175    HZ3  LYS  24           2HZ      LYS  24   7.163   3.226  11.881
  176    H    ASN  25           H        ASN  25  12.040   2.108   5.737
  177    HA   ASN  25           HA       ASN  25  13.173   4.797   5.498
  178    HB2  ASN  25           2HB      ASN  25  15.339   3.574   5.268
  179    HB3  ASN  25           1HB      ASN  25  14.489   3.241   6.774
  180   HD21  ASN  25          1HD2      ASN  25  15.465   1.277   7.110
  181   HD22  ASN  25          2HD2      ASN  25  15.148  -0.115   6.130
  182    H    HIS  26           H        HIS  26  11.389   3.162   3.511
  183    HA   HIS  26           HA       HIS  26  11.052   2.953   1.302
  184    HB2  HIS  26           2HB      HIS  26  11.574   4.757  -0.073
  185    HB3  HIS  26           1HB      HIS  26  11.540   5.460   1.500
  186    HD1  HIS  26           1HD      HIS  26  13.163   7.227   1.519
  187    HD2  HIS  26           2HD      HIS  26  14.625   3.928  -0.510
  188    HE1  HIS  26           1HE      HIS  26  15.554   7.765   0.966
  189    HE2  HIS  26           2HE      HIS  26  16.468   5.699  -0.115
  190    H    ASN  27           H        ASN  27  13.859   1.957   2.585
  191    HA   ASN  27           HA       ASN  27  15.259   1.449   0.083
  192    HB2  ASN  27           2HB      ASN  27  15.966   1.525   2.953
  193    HB3  ASN  27           1HB      ASN  27  16.857   0.383   1.973
  194   HD21  ASN  27          1HD2      ASN  27  16.110   3.797   2.378
  195   HD22  ASN  27          2HD2      ASN  27  17.492   4.315   1.495
  196    H    GLU  28           H        GLU  28  12.778   0.201   0.707
  197    HA   GLU  28           HA       GLU  28  13.439  -2.639   0.893
  198    HB2  GLU  28           2HB      GLU  28  10.805  -1.158   0.871
  199    HB3  GLU  28           1HB      GLU  28  10.948  -2.907   0.915
  200    HG2  GLU  28           2HG      GLU  28  12.086  -1.079   3.008
  201    HG3  GLU  28           1HG      GLU  28  10.496  -1.830   3.099
  202    H    ASN  29           H        ASN  29  11.863  -3.938  -0.644
  203    HA   ASN  29           HA       ASN  29  11.625  -2.617  -3.259
  204    HB2  ASN  29           2HB      ASN  29  13.639  -4.078  -3.302
  205    HB3  ASN  29           1HB      ASN  29  12.626  -5.450  -2.862
  206   HD21  ASN  29          1HD2      ASN  29  13.166  -6.538  -4.752
  207   HD22  ASN  29          2HD2      ASN  29  12.528  -6.075  -6.295
  208    H    TRP  30           H        TRP  30   9.646  -2.791  -4.050
  209    HA   TRP  30           HA       TRP  30   7.454  -3.254  -2.622
  210    HB2  TRP  30           2HB      TRP  30   7.098  -2.264  -4.672
  211    HB3  TRP  30           1HB      TRP  30   7.889  -3.548  -5.551
  212    HD1  TRP  30           HD       TRP  30   6.327  -4.930  -6.796
  213    HE1  TRP  30           1HE      TRP  30   3.862  -5.711  -6.593
  214    HE3  TRP  30           3HE      TRP  30   5.208  -2.693  -2.386
  215    HZ2  TRP  30           2HZ      TRP  30   1.736  -5.380  -4.749
  216    HZ3  TRP  30           3HZ      TRP  30   2.970  -2.942  -1.469
  217    HH2  TRP  30           HH       TRP  30   1.255  -4.267  -2.611
  218    H    LEU  31           H        LEU  31   8.813  -5.810  -4.659
  219    HA   LEU  31           HA       LEU  31   6.714  -7.573  -4.379
  220    HB2  LEU  31           2HB      LEU  31   9.628  -7.990  -4.933
  221    HB3  LEU  31           1HB      LEU  31   8.434  -9.267  -5.045
  222    HG   LEU  31           HG       LEU  31   8.801  -8.442  -7.205
  223   HD11  LEU  31          1HD1      LEU  31   6.217  -7.330  -6.211
  224   HD12  LEU  31          2HD1      LEU  31   6.512  -8.994  -6.719
  225   HD13  LEU  31          3HD1      LEU  31   6.600  -7.683  -7.896
  226   HD21  LEU  31          3HD2      LEU  31   8.087  -5.662  -6.393
  227   HD22  LEU  31          1HD2      LEU  31   8.671  -6.211  -7.962
  228   HD23  LEU  31          2HD2      LEU  31   9.749  -6.233  -6.567
  229    H    SER  32           H        SER  32   9.825  -7.654  -2.677
  230    HA   SER  32           HA       SER  32   9.122  -9.587  -0.810
  231    HB2  SER  32           2HB      SER  32  11.206  -7.439  -0.935
  232    HB3  SER  32           1HB      SER  32  11.032  -8.432   0.494
  233    HG   SER  32           HG       SER  32  11.630  -9.262  -2.147
  234    H    VAL  33           H        VAL  33   8.703  -6.013  -0.634
  235    HA   VAL  33           HA       VAL  33   7.988  -6.170   2.123
  236    HB   VAL  33           HB       VAL  33   6.701  -3.869   1.204
  237   HG11  VAL  33          1HG1      VAL  33   8.453  -2.711   2.361
  238   HG12  VAL  33          2HG1      VAL  33   9.532  -4.096   2.214
  239   HG13  VAL  33          3HG1      VAL  33   8.099  -4.201   3.232
  240   HG21  VAL  33          3HG2      VAL  33   7.790  -4.211  -0.982
  241   HG22  VAL  33          1HG2      VAL  33   9.355  -4.105  -0.179
  242   HG23  VAL  33          2HG2      VAL  33   8.266  -2.717  -0.177
  243    H    SER  34           H        SER  34   6.289  -6.472  -0.892
  244    HA   SER  34           HA       SER  34   3.657  -6.474   0.105
  245    HB2  SER  34           2HB      SER  34   3.524  -6.466  -2.161
  246    HB3  SER  34           1HB      SER  34   5.067  -7.292  -2.347
  247    HG   SER  34           HG       SER  34   2.492  -8.398  -1.951
  248    H    ARG  35           H        ARG  35   6.101  -9.031  -0.154
  249    HA   ARG  35           HA       ARG  35   4.724 -11.217   0.754
  250    HB2  ARG  35           2HB      ARG  35   7.529 -10.284   1.305
  251    HB3  ARG  35           1HB      ARG  35   6.947 -11.909   1.460
  252    HG2  ARG  35           2HG      ARG  35   6.211 -11.463  -1.010
  253    HG3  ARG  35           1HG      ARG  35   7.603 -10.399  -0.923
  254    HD2  ARG  35           2HD      ARG  35   9.044 -12.068  -0.591
  255    HD3  ARG  35           1HD      ARG  35   7.876 -13.114   0.196
  256    HE   ARG  35           HE       ARG  35   7.429 -12.666  -2.637
  257   HH11  ARG  35          1HH1      ARG  35   8.933 -14.684  -0.198
  258   HH12  ARG  35          2HH1      ARG  35   8.889 -16.124  -1.175
  259   HH21  ARG  35          1HH2      ARG  35   7.341 -14.573  -3.925
  260   HH22  ARG  35          2HH2      ARG  35   7.965 -16.059  -3.283
  261    H    LYS  36           H        LYS  36   6.616  -8.892   2.516
  262    HA   LYS  36           HA       LYS  36   6.045  -9.556   5.141
  263    HB2  LYS  36           2HB      LYS  36   6.382  -6.779   4.023
  264    HB3  LYS  36           1HB      LYS  36   6.762  -7.318   5.640
  265    HG2  LYS  36           2HG      LYS  36   8.390  -8.859   4.635
  266    HG3  LYS  36           1HG      LYS  36   8.140  -8.067   3.114
  267    HD2  LYS  36           2HD      LYS  36   8.859  -5.986   4.111
  268    HD3  LYS  36           1HD      LYS  36   9.142  -6.792   5.644
  269    HE2  LYS  36           2HE      LYS  36  10.801  -8.234   4.556
  270    HE3  LYS  36           1HE      LYS  36  10.522  -7.399   3.030
  271    HZ1  LYS  36           3HZ      LYS  36  11.447  -5.995   5.473
  272    HZ2  LYS  36           1HZ      LYS  36  11.453  -5.420   3.878
  273    HZ3  LYS  36           2HZ      LYS  36  12.517  -6.657   4.338
  274    H    MET  37           H        MET  37   4.527  -7.271   3.050
  275    HA   MET  37           HA       MET  37   2.568  -6.293   4.798
  276    HB2  MET  37           2HB      MET  37   3.002  -6.163   1.848
  277    HB3  MET  37           1HB      MET  37   1.542  -5.485   2.546
  278    HG2  MET  37           2HG      MET  37   2.796  -3.966   3.876
  279    HG3  MET  37           1HG      MET  37   4.294  -4.781   3.478
  280    HE1  MET  37           3HE      MET  37   1.348  -2.579   1.905
  281    HE2  MET  37           1HE      MET  37   1.435  -4.066   0.961
  282    HE3  MET  37           2HE      MET  37   1.917  -2.534   0.233
  283    H    GLN  38           H        GLN  38   2.425  -9.204   2.830
  284    HA   GLN  38           HA       GLN  38  -0.408  -9.177   2.585
  285    HB2  GLN  38           2HB      GLN  38  -0.218 -11.470   1.791
  286    HB3  GLN  38           1HB      GLN  38   0.941 -10.425   0.986
  287    HG2  GLN  38           2HG      GLN  38   2.721 -11.290   2.387
  288    HG3  GLN  38           1HG      GLN  38   1.564 -12.302   3.251
  289   HE21  GLN  38          1HE2      GLN  38   2.650 -14.178   2.679
  290   HE22  GLN  38          2HE2      GLN  38   2.593 -14.823   1.068
  291    H    ALA  39           H        ALA  39  -1.225 -11.649   3.344
  292    HA   ALA  39           HA       ALA  39  -2.464 -12.456   5.086
  293    HB1  ALA  39           1HB      ALA  39   0.126 -12.105   6.596
  294    HB2  ALA  39           2HB      ALA  39  -0.298 -13.495   5.598
  295    HB3  ALA  39           3HB      ALA  39  -1.221 -13.146   7.059
  296    H    SER  40           H        SER  40  -2.698  -9.696   4.632
  297    HA   SER  40           HA       SER  40  -3.572  -8.779   7.244
  298    HB2  SER  40           2HB      SER  40  -2.022  -7.039   5.312
  299    HB3  SER  40           1HB      SER  40  -2.626  -6.582   6.894
  300    HG   SER  40           HG       SER  40  -0.443  -8.207   6.225
  301    HA   PRO  41           HA       PRO  41  -7.305  -8.250   5.006
  302    HB2  PRO  41           2HB      PRO  41  -8.251  -6.166   6.610
  303    HB3  PRO  41           1HB      PRO  41  -8.517  -7.876   6.865
  304    HG2  PRO  41           2HG      PRO  41  -6.605  -6.085   8.139
  305    HG3  PRO  41           1HG      PRO  41  -7.398  -7.510   8.782
  306    HD2  PRO  41           2HD      PRO  41  -4.798  -7.511   8.073
  307    HD3  PRO  41           1HD      PRO  41  -5.821  -8.949   7.902
  308    H    GLU  42           H        GLU  42  -5.433  -5.436   5.881
  309    HA   GLU  42           HA       GLU  42  -6.724  -3.726   4.041
  310    HB2  GLU  42           2HB      GLU  42  -4.148  -3.539   5.535
  311    HB3  GLU  42           1HB      GLU  42  -4.624  -2.303   4.380
  312    HG2  GLU  42           2HG      GLU  42  -5.199  -1.594   6.582
  313    HG3  GLU  42           1HG      GLU  42  -6.672  -1.931   5.682
  314    H    TYR  43           H        TYR  43  -3.662  -5.450   3.942
  315    HA   TYR  43           HA       TYR  43  -2.828  -4.633   1.410
  316    HB2  TYR  43           2HB      TYR  43  -1.282  -5.743   2.872
  317    HB3  TYR  43           1HB      TYR  43  -2.307  -7.167   2.971
  318    HD1  TYR  43           2HD      TYR  43  -2.454  -8.716   1.063
  319    HD2  TYR  43           1HD      TYR  43   0.234  -5.413   1.024
  320    HE1  TYR  43           2HE      TYR  43  -1.245  -9.732  -0.807
  321    HE2  TYR  43           1HE      TYR  43   1.438  -6.422  -0.871
  322    HH   TYR  43           HH       TYR  43   0.197  -8.980  -2.683
  323    H    GLN  44           H        GLN  44  -4.706  -7.484   2.395
  324    HA   GLN  44           HA       GLN  44  -5.020  -8.659  -0.131
  325    HB2  GLN  44           2HB      GLN  44  -7.023  -8.686   2.120
  326    HB3  GLN  44           1HB      GLN  44  -6.880  -9.861   0.824
  327    HG2  GLN  44           2HG      GLN  44  -4.671  -9.365   2.767
  328    HG3  GLN  44           1HG      GLN  44  -5.996 -10.466   3.095
  329   HE21  GLN  44          1HE2      GLN  44  -3.201 -11.067   2.863
  330   HE22  GLN  44          2HE2      GLN  44  -3.027 -12.206   1.577
  331    H    ASP  45           H        ASP  45  -7.405  -6.874   1.726
  332    HA   ASP  45           HA       ASP  45  -9.446  -6.681  -0.052
  333    HB2  ASP  45           2HB      ASP  45  -9.532  -5.925   2.288
  334    HB3  ASP  45           1HB      ASP  45  -8.596  -4.502   1.851
  335    H    TYR  46           H        TYR  46  -6.844  -4.285   0.214
  336    HA   TYR  46           HA       TYR  46  -7.852  -2.650  -1.870
  337    HB2  TYR  46           2HB      TYR  46  -6.334  -1.763  -0.164
  338    HB3  TYR  46           1HB      TYR  46  -5.046  -2.791  -0.780
  339    HD1  TYR  46           1HD      TYR  46  -7.300   0.006  -1.719
  340    HD2  TYR  46           2HD      TYR  46  -3.683  -2.067  -2.555
  341    HE1  TYR  46           1HE      TYR  46  -6.666   1.763  -3.318
  342    HE2  TYR  46           2HE      TYR  46  -3.043  -0.314  -4.152
  343    HH   TYR  46           HH       TYR  46  -4.107   1.414  -5.519
  344    H    VAL  47           H        VAL  47  -5.504  -5.254  -1.834
  345    HA   VAL  47           HA       VAL  47  -4.837  -4.817  -4.558
  346    HB   VAL  47           HB       VAL  47  -4.297  -7.146  -2.723
  347   HG11  VAL  47          1HG1      VAL  47  -3.384  -6.794  -5.573
  348   HG12  VAL  47          2HG1      VAL  47  -4.419  -8.077  -4.942
  349   HG13  VAL  47          3HG1      VAL  47  -2.729  -7.983  -4.446
  350   HG21  VAL  47          3HG2      VAL  47  -3.086  -5.092  -2.232
  351   HG22  VAL  47          1HG2      VAL  47  -2.492  -5.036  -3.893
  352   HG23  VAL  47          2HG2      VAL  47  -1.991  -6.342  -2.820
  353    H    TYR  48           H        TYR  48  -7.372  -6.426  -2.941
  354    HA   TYR  48           HA       TYR  48  -8.140  -8.134  -5.094
  355    HB2  TYR  48           2HB      TYR  48  -8.842  -8.833  -2.990
  356    HB3  TYR  48           1HB      TYR  48  -9.308  -7.217  -2.493
  357    HD1  TYR  48           2HD      TYR  48 -10.292 -10.083  -4.596
  358    HD2  TYR  48           1HD      TYR  48 -11.432  -6.415  -2.816
  359    HE1  TYR  48           2HE      TYR  48 -12.643 -10.569  -5.157
  360    HE2  TYR  48           1HE      TYR  48 -13.806  -6.882  -3.351
  361    HH   TYR  48           HH       TYR  48 -15.101  -8.208  -4.928
  362    H    LEU  49           H        LEU  49  -9.462  -5.164  -3.682
  363    HA   LEU  49           HA       LEU  49 -11.383  -4.585  -5.638
  364    HB2  LEU  49           2HB      LEU  49  -9.770  -2.519  -4.176
  365    HB3  LEU  49           1HB      LEU  49 -11.397  -2.347  -4.794
  366    HG   LEU  49           HG       LEU  49 -10.588  -4.150  -2.539
  367   HD11  LEU  49          1HD1      LEU  49 -11.672  -2.472  -1.096
  368   HD12  LEU  49          2HD1      LEU  49 -11.882  -1.424  -2.500
  369   HD13  LEU  49          3HD1      LEU  49 -10.261  -1.824  -1.932
  370   HD21  LEU  49          3HD2      LEU  49 -12.965  -4.350  -2.116
  371   HD22  LEU  49          1HD2      LEU  49 -12.615  -4.844  -3.771
  372   HD23  LEU  49          2HD2      LEU  49 -13.323  -3.259  -3.454
  373    H    GLU  50           H        GLU  50  -8.171  -3.191  -5.223
  374    HA   GLU  50           HA       GLU  50  -8.351  -1.967  -7.876
  375    HB2  GLU  50           2HB      GLU  50  -6.253  -1.635  -5.732
  376    HB3  GLU  50           1HB      GLU  50  -6.408  -0.666  -7.192
  377    HG2  GLU  50           2HG      GLU  50  -8.528  -0.847  -5.076
  378    HG3  GLU  50           1HG      GLU  50  -7.276   0.386  -5.112
  379    H    GLY  51           H        GLY  51  -5.737  -3.580  -6.083
  380    HA2  GLY  51           2HA      GLY  51  -5.113  -5.773  -7.288
  381    HA3  GLY  51           1HA      GLY  51  -4.825  -4.704  -8.651
  382    H    THR  52           H        THR  52  -2.823  -6.294  -7.808
  383    HA   THR  52           HA       THR  52  -1.112  -5.133  -5.881
  384    HB   THR  52           HB       THR  52   0.549  -6.545  -7.568
  385    HG1  THR  52           1HG      THR  52  -1.055  -8.500  -7.770
  386   HG21  THR  52          3HG2      THR  52   0.298  -8.379  -5.957
  387   HG22  THR  52          1HG2      THR  52  -1.169  -7.628  -5.329
  388   HG23  THR  52          2HG2      THR  52   0.385  -6.817  -5.140
  389    H    GLN  53           H        GLN  53  -1.786  -4.335  -9.156
  390    HA   GLN  53           HA       GLN  53   0.710  -3.117  -9.761
  391    HB2  GLN  53           2HB      GLN  53  -2.012  -2.741 -11.017
  392    HB3  GLN  53           1HB      GLN  53  -0.499  -2.192 -11.688
  393    HG2  GLN  53           2HG      GLN  53  -1.240  -5.032 -11.205
  394    HG3  GLN  53           1HG      GLN  53  -1.263  -4.220 -12.763
  395   HE21  GLN  53          1HE2      GLN  53   0.699  -3.627 -13.721
  396   HE22  GLN  53          2HE2      GLN  53   2.186  -4.394 -13.278
  397    H    LYS  54           H        LYS  54  -2.502  -1.775  -8.974
  398    HA   LYS  54           HA       LYS  54  -1.646   0.882  -8.679
  399    HB2  LYS  54           2HB      LYS  54  -3.946  -0.557  -7.554
  400    HB3  LYS  54           1HB      LYS  54  -3.727   1.159  -7.386
  401    HG2  LYS  54           2HG      LYS  54  -3.537   1.178  -9.904
  402    HG3  LYS  54           1HG      LYS  54  -4.241  -0.424  -9.816
  403    HD2  LYS  54           2HD      LYS  54  -5.937   0.768  -8.242
  404    HD3  LYS  54           1HD      LYS  54  -5.438   2.198  -9.137
  405    HE2  LYS  54           2HE      LYS  54  -6.085   1.187 -11.223
  406    HE3  LYS  54           1HE      LYS  54  -6.446  -0.339 -10.417
  407    HZ1  LYS  54           3HZ      LYS  54  -7.886   2.232 -10.025
  408    HZ2  LYS  54           1HZ      LYS  54  -8.214   0.799  -9.179
  409    HZ3  LYS  54           2HZ      LYS  54  -8.467   0.875 -10.853
  410    H    ALA  55           H        ALA  55  -1.930  -1.758  -6.428
  411    HA   ALA  55           HA       ALA  55  -1.167  -0.366  -4.072
  412    HB1  ALA  55           1HB      ALA  55  -0.796  -3.286  -4.781
  413    HB2  ALA  55           2HB      ALA  55  -2.247  -2.572  -4.078
  414    HB3  ALA  55           3HB      ALA  55  -0.742  -2.589  -3.162
  415    H    LYS  56           H        LYS  56   0.692  -1.788  -6.714
  416    HA   LYS  56           HA       LYS  56   3.193  -1.661  -5.407
  417    HB2  LYS  56           2HB      LYS  56   2.657  -3.106  -7.365
  418    HB3  LYS  56           1HB      LYS  56   2.537  -1.663  -8.352
  419    HG2  LYS  56           2HG      LYS  56   4.785  -1.171  -8.096
  420    HG3  LYS  56           1HG      LYS  56   5.014  -2.374  -6.832
  421    HD2  LYS  56           2HD      LYS  56   4.517  -4.146  -8.473
  422    HD3  LYS  56           1HD      LYS  56   4.369  -2.928  -9.724
  423    HE2  LYS  56           2HE      LYS  56   6.734  -2.255  -9.236
  424    HE3  LYS  56           1HE      LYS  56   6.835  -3.660  -8.176
  425    HZ1  LYS  56           3HZ      LYS  56   7.691  -4.083 -10.427
  426    HZ2  LYS  56           1HZ      LYS  56   6.150  -3.787 -11.062
  427    HZ3  LYS  56           2HZ      LYS  56   6.397  -5.101 -10.022
  428    H    LYS  57           H        LYS  57   1.623   0.326  -7.924
  429    HA   LYS  57           HA       LYS  57   3.345   2.471  -7.998
  430    HB2  LYS  57           2HB      LYS  57   0.466   1.956  -8.488
  431    HB3  LYS  57           1HB      LYS  57   0.929   3.607  -8.307
  432    HG2  LYS  57           2HG      LYS  57   0.941   3.119 -10.612
  433    HG3  LYS  57           1HG      LYS  57   2.622   3.282 -10.098
  434    HD2  LYS  57           2HD      LYS  57   2.708   0.856  -9.837
  435    HD3  LYS  57           1HD      LYS  57   1.090   0.726 -10.499
  436    HE2  LYS  57           2HE      LYS  57   2.164   2.116 -12.421
  437    HE3  LYS  57           1HE      LYS  57   3.657   1.420 -11.823
  438    HZ1  LYS  57           3HZ      LYS  57   2.663  -0.785 -12.082
  439    HZ2  LYS  57           1HZ      LYS  57   2.721   0.046 -13.564
  440    HZ3  LYS  57           2HZ      LYS  57   1.260  -0.080 -12.719
  441    H    LEU  58           H        LEU  58   0.706   1.771  -5.755
  442    HA   LEU  58           HA       LEU  58   0.763   4.137  -4.265
  443    HB2  LEU  58           2HB      LEU  58  -0.969   2.265  -4.204
  444    HB3  LEU  58           1HB      LEU  58   0.152   1.390  -3.191
  445    HG   LEU  58           HG       LEU  58  -0.279   2.648  -1.382
  446   HD11  LEU  58          1HD1      LEU  58   0.521   4.772  -2.263
  447   HD12  LEU  58          2HD1      LEU  58  -1.034   5.028  -1.471
  448   HD13  LEU  58          3HD1      LEU  58  -0.944   4.952  -3.227
  449   HD21  LEU  58          3HD2      LEU  58  -2.750   3.192  -3.012
  450   HD22  LEU  58          1HD2      LEU  58  -2.640   3.164  -1.252
  451   HD23  LEU  58          2HD2      LEU  58  -2.394   1.681  -2.175
  452    H    PHE  59           H        PHE  59   2.431   1.044  -3.726
  453    HA   PHE  59           HA       PHE  59   3.979   1.741  -1.541
  454    HB2  PHE  59           2HB      PHE  59   4.081  -0.505  -2.153
  455    HB3  PHE  59           1HB      PHE  59   4.403  -0.149  -3.840
  456    HD1  PHE  59           1HD      PHE  59   5.886  -0.045  -0.458
  457    HD2  PHE  59           2HD      PHE  59   6.618  -0.153  -4.653
  458    HE1  PHE  59           1HE      PHE  59   8.278  -0.404  -0.033
  459    HE2  PHE  59           2HE      PHE  59   9.009  -0.505  -4.227
  460    HZ   PHE  59           HZ       PHE  59   9.843  -0.632  -1.915
  461    H    LEU  60           H        LEU  60   4.789   2.145  -4.986
  462    HA   LEU  60           HA       LEU  60   7.263   3.360  -4.818
  463    HB2  LEU  60           2HB      LEU  60   4.987   3.598  -6.724
  464    HB3  LEU  60           1HB      LEU  60   6.295   4.737  -6.860
  465    HG   LEU  60           HG       LEU  60   6.464   2.898  -8.385
  466   HD11  LEU  60          1HD1      LEU  60   8.620   2.889  -6.286
  467   HD12  LEU  60          2HD1      LEU  60   8.492   4.023  -7.633
  468   HD13  LEU  60          3HD1      LEU  60   8.802   2.314  -7.943
  469   HD21  LEU  60          3HD2      LEU  60   6.688   1.181  -5.938
  470   HD22  LEU  60          1HD2      LEU  60   7.106   0.651  -7.568
  471   HD23  LEU  60          2HD2      LEU  60   5.445   1.110  -7.188
  472    H    GLN  61           H        GLN  61   4.115   4.936  -4.839
  473    HA   GLN  61           HA       GLN  61   4.807   7.580  -4.604
  474    HB2  GLN  61           2HB      GLN  61   2.556   6.126  -3.244
  475    HB3  GLN  61           1HB      GLN  61   2.676   7.867  -3.391
  476    HG2  GLN  61           2HG      GLN  61   2.460   5.930  -5.662
  477    HG3  GLN  61           1HG      GLN  61   1.184   6.913  -4.990
  478   HE21  GLN  61          1HE2      GLN  61   3.917   6.836  -7.013
  479   HE22  GLN  61          2HE2      GLN  61   3.792   8.452  -7.601
  480    H    HIS  62           H        HIS  62   3.752   5.651  -1.862
  481    HA   HIS  62           HA       HIS  62   4.595   7.415   0.117
  482    HB2  HIS  62           2HB      HIS  62   3.138   5.468   0.559
  483    HB3  HIS  62           1HB      HIS  62   4.522   4.396   0.344
  484    HD1  HIS  62           1HD      HIS  62   5.828   3.882   2.396
  485    HD2  HIS  62           2HD      HIS  62   3.562   7.345   2.811
  486    HE1  HIS  62           1HE      HIS  62   6.117   4.606   4.787
  487    HE2  HIS  62           2HE      HIS  62   4.649   6.641   5.047
  488    H    ILE  63           H        ILE  63   6.481   4.876  -1.487
  489    HA   ILE  63           HA       ILE  63   8.842   5.082  -0.059
  490    HB   ILE  63           HB       ILE  63   8.378   4.691  -2.990
  491   HG12  ILE  63          2HG1      ILE  63   7.721   2.995  -1.232
  492   HG13  ILE  63          1HG1      ILE  63   8.791   2.437  -2.486
  493   HG21  ILE  63          1HG2      ILE  63  10.974   4.785  -1.471
  494   HG22  ILE  63          2HG2      ILE  63  10.536   5.666  -2.936
  495   HG23  ILE  63          3HG2      ILE  63  10.801   3.923  -3.001
  496   HD11  ILE  63          3HD1      ILE  63   9.619   3.231   0.270
  497   HD12  ILE  63          1HD1      ILE  63  10.692   2.640  -1.000
  498   HD13  ILE  63          2HD1      ILE  63   9.451   1.581  -0.328
  499    H    HIS  64           H        HIS  64   7.687   7.056  -2.735
  500    HA   HIS  64           HA       HIS  64   9.926   8.814  -2.950
  501    HB2  HIS  64           2HB      HIS  64   8.368   8.725  -4.752
  502    HB3  HIS  64           1HB      HIS  64   7.001   8.871  -3.707
  503    HD1  HIS  64           1HD      HIS  64   7.334  11.252  -2.314
  504    HD2  HIS  64           2HD      HIS  64   8.490  10.979  -6.265
  505    HE1  HIS  64           1HE      HIS  64   7.554  13.642  -3.118
  506    HE2  HIS  64           2HE      HIS  64   7.832  13.407  -5.639
  507    H    ARG  65           H        ARG  65   6.857   9.058  -1.250
  508    HA   ARG  65           HA       ARG  65   7.160  11.496  -0.048
  509    HB2  ARG  65           2HB      ARG  65   5.881   9.088   1.064
  510    HB3  ARG  65           1HB      ARG  65   5.490  10.736   1.429
  511    HG2  ARG  65           2HG      ARG  65   5.025   9.262  -1.110
  512    HG3  ARG  65           1HG      ARG  65   3.885  10.049  -0.062
  513    HD2  ARG  65           2HD      ARG  65   5.195  12.188  -0.606
  514    HD3  ARG  65           1HD      ARG  65   5.770  11.263  -1.981
  515    HE   ARG  65           HE       ARG  65   3.147  10.898  -2.216
  516   HH11  ARG  65          1HH1      ARG  65   4.942  13.862  -1.600
  517   HH12  ARG  65          2HH1      ARG  65   3.776  14.874  -2.393
  518   HH21  ARG  65          1HH2      ARG  65   1.622  12.227  -3.222
  519   HH22  ARG  65          2HH2      ARG  65   1.865  13.949  -3.287
  520    H    LEU  66           H        LEU  66   7.935   8.339   1.315
  521    HA   LEU  66           HA       LEU  66   9.364   8.910   3.575
  522    HB2  LEU  66           2HB      LEU  66   9.988   6.951   1.394
  523    HB3  LEU  66           1HB      LEU  66  10.711   6.875   2.967
  524    HG   LEU  66           HG       LEU  66   7.800   6.640   2.351
  525   HD11  LEU  66          1HD1      LEU  66   9.041   4.720   1.545
  526   HD12  LEU  66          2HD1      LEU  66   8.104   4.274   2.972
  527   HD13  LEU  66          3HD1      LEU  66   9.840   4.556   3.109
  528   HD21  LEU  66          3HD2      LEU  66   9.313   6.259   4.917
  529   HD22  LEU  66          1HD2      LEU  66   7.587   5.983   4.690
  530   HD23  LEU  66          2HD2      LEU  66   8.253   7.610   4.533
  531    H    LYS  67           H        LYS  67  10.576   8.805   0.321
  532    HA   LYS  67           HA       LYS  67  13.209   9.581   0.769
  533    HB2  LYS  67           2HB      LYS  67  11.442   9.998  -1.644
  534    HB3  LYS  67           1HB      LYS  67  13.172   9.994  -1.637
  535    HG2  LYS  67           2HG      LYS  67  13.047   7.692  -0.743
  536    HG3  LYS  67           1HG      LYS  67  11.356   7.722  -1.162
  537    HD2  LYS  67           2HD      LYS  67  13.740   7.666  -2.876
  538    HD3  LYS  67           1HD      LYS  67  12.245   6.765  -3.039
  539    HE2  LYS  67           2HE      LYS  67  11.170   9.013  -3.597
  540    HE3  LYS  67           1HE      LYS  67  12.810   9.619  -3.774
  541    HZ1  LYS  67           3HZ      LYS  67  13.204   8.276  -5.591
  542    HZ2  LYS  67           1HZ      LYS  67  11.598   8.760  -5.834
  543    HZ3  LYS  67           2HZ      LYS  67  11.937   7.212  -5.236
  544    H    HIS  68           H        HIS  68  10.437  11.506  -0.290
  545    HA   HIS  68           HA       HIS  68  11.324  13.911   0.783
  546    HB2  HIS  68           2HB      HIS  68  11.783  15.042  -1.368
  547    HB3  HIS  68           1HB      HIS  68  13.006  13.890  -0.907
  548    HD1  HIS  68           1HD      HIS  68  10.604  11.769  -2.110
  549    HD2  HIS  68           2HD      HIS  68  13.035  14.554  -3.981
  550    HE1  HIS  68           1HE      HIS  68  10.660  11.098  -4.551
  551    HE2  HIS  68           2HE      HIS  68  12.290  12.696  -5.619
  552    H    GLU  69           H        GLU  69   9.210  14.055   1.482
  553    HA   GLU  69           HA       GLU  69   6.949  13.741  -0.136
  554    HB2  GLU  69           2HB      GLU  69   7.504  14.868   2.507
  555    HB3  GLU  69           1HB      GLU  69   6.107  15.559   1.714
  556    HG2  GLU  69           2HG      GLU  69   5.355  13.192   1.357
  557    HG3  GLU  69           1HG      GLU  69   6.623  12.711   2.472
  Start of MODEL   11
    1    H    SER   5           H        SER   5 -20.145   3.095   2.421
    2    HA   SER   5           HA       SER   5 -18.954   2.611  -0.122
    3    HB2  SER   5           2HB      SER   5 -19.885   5.027  -0.500
    4    HB3  SER   5           1HB      SER   5 -21.014   3.692  -0.263
    5    HG   SER   5           HG       SER   5 -21.680   5.273   1.106
    6    H    GLN   6           H        GLN   6 -17.896   4.091   2.727
    7    HA   GLN   6           HA       GLN   6 -16.083   5.980   1.594
    8    HB2  GLN   6           2HB      GLN   6 -16.060   4.715   4.326
    9    HB3  GLN   6           1HB      GLN   6 -15.150   6.137   3.844
   10    HG2  GLN   6           2HG      GLN   6 -17.302   7.292   3.408
   11    HG3  GLN   6           1HG      GLN   6 -18.139   5.883   4.059
   12   HE21  GLN   6          1HE2      GLN   6 -15.096   7.038   5.284
   13   HE22  GLN   6          2HE2      GLN   6 -15.686   7.604   6.807
   14    H    GLN   7           H        GLN   7 -16.104   2.649   1.682
   15    HA   GLN   7           HA       GLN   7 -13.504   1.887   2.321
   16    HB2  GLN   7           2HB      GLN   7 -15.514   0.425   1.831
   17    HB3  GLN   7           1HB      GLN   7 -15.107   0.600   0.138
   18    HG2  GLN   7           2HG      GLN   7 -14.165  -1.411   0.892
   19    HG3  GLN   7           1HG      GLN   7 -12.866  -0.262   0.712
   20   HE21  GLN   7          1HE2      GLN   7 -12.963  -2.665   2.292
   21   HE22  GLN   7          2HE2      GLN   7 -12.637  -2.190   3.916
   22    H    ILE   8           H        ILE   8 -14.785   3.381  -0.537
   23    HA   ILE   8           HA       ILE   8 -12.774   2.816  -2.384
   24    HB   ILE   8           HB       ILE   8 -14.365   5.367  -2.202
   25   HG12  ILE   8          2HG1      ILE   8 -15.046   2.846  -3.657
   26   HG13  ILE   8          1HG1      ILE   8 -15.781   3.339  -2.145
   27   HG21  ILE   8          1HG2      ILE   8 -13.048   4.033  -4.554
   28   HG22  ILE   8          2HG2      ILE   8 -12.506   5.512  -3.762
   29   HG23  ILE   8          3HG2      ILE   8 -14.044   5.487  -4.624
   30   HD11  ILE   8          3HD1      ILE   8 -16.680   5.327  -3.247
   31   HD12  ILE   8          1HD1      ILE   8 -17.226   3.842  -4.024
   32   HD13  ILE   8          2HD1      ILE   8 -15.951   4.807  -4.766
   33    H    ALA   9           H        ALA   9 -12.781   4.874   0.340
   34    HA   ALA   9           HA       ALA   9 -10.240   6.082  -0.503
   35    HB1  ALA   9           1HB      ALA   9 -12.214   7.143   1.505
   36    HB2  ALA   9           2HB      ALA   9 -12.014   7.725  -0.148
   37    HB3  ALA   9           3HB      ALA   9 -10.708   7.920   1.021
   38    H    THR  10           H        THR  10 -11.954   4.858   2.322
   39    HA   THR  10           HA       THR  10  -9.759   5.093   4.071
   40    HB   THR  10           HB       THR  10 -11.135   3.636   5.585
   41    HG1  THR  10           1HG      THR  10 -12.664   2.550   4.584
   42   HG21  THR  10          3HG2      THR  10 -12.493   6.057   4.407
   43   HG22  THR  10          1HG2      THR  10 -11.175   6.105   5.577
   44   HG23  THR  10          2HG2      THR  10 -12.733   5.403   6.029
   45    H    ALA  11           H        ALA  11 -10.920   2.375   2.111
   46    HA   ALA  11           HA       ALA  11  -9.280   0.408   3.310
   47    HB1  ALA  11           1HB      ALA  11 -11.098  -0.177   1.771
   48    HB2  ALA  11           2HB      ALA  11  -9.562  -0.869   1.251
   49    HB3  ALA  11           3HB      ALA  11 -10.204   0.559   0.441
   50    H    LYS  12           H        LYS  12  -8.801   2.566   0.562
   51    HA   LYS  12           HA       LYS  12  -6.159   1.782  -0.003
   52    HB2  LYS  12           2HB      LYS  12  -7.391   3.017  -1.654
   53    HB3  LYS  12           1HB      LYS  12  -7.627   4.361  -0.552
   54    HG2  LYS  12           2HG      LYS  12  -5.331   4.937  -0.619
   55    HG3  LYS  12           1HG      LYS  12  -4.924   3.456  -1.484
   56    HD2  LYS  12           2HD      LYS  12  -6.048   4.202  -3.440
   57    HD3  LYS  12           1HD      LYS  12  -6.745   5.580  -2.586
   58    HE2  LYS  12           2HE      LYS  12  -3.778   5.202  -2.805
   59    HE3  LYS  12           1HE      LYS  12  -4.691   6.011  -4.072
   60    HZ1  LYS  12           3HZ      LYS  12  -4.396   6.834  -1.233
   61    HZ2  LYS  12           1HZ      LYS  12  -5.559   7.511  -2.272
   62    HZ3  LYS  12           2HZ      LYS  12  -3.911   7.681  -2.621
   63    H    ASP  13           H        ASP  13  -7.422   4.591   1.733
   64    HA   ASP  13           HA       ASP  13  -5.069   5.748   2.622
   65    HB2  ASP  13           2HB      ASP  13  -7.317   6.741   2.913
   66    HB3  ASP  13           1HB      ASP  13  -7.738   5.499   4.081
   67    H    LYS  14           H        LYS  14  -6.856   3.058   4.173
   68    HA   LYS  14           HA       LYS  14  -5.068   2.913   6.361
   69    HB2  LYS  14           2HB      LYS  14  -7.444   2.112   6.351
   70    HB3  LYS  14           1HB      LYS  14  -6.933   0.781   5.320
   71    HG2  LYS  14           2HG      LYS  14  -5.554  -0.097   6.997
   72    HG3  LYS  14           1HG      LYS  14  -5.744   1.320   8.022
   73    HD2  LYS  14           2HD      LYS  14  -8.267   0.733   7.941
   74    HD3  LYS  14           1HD      LYS  14  -7.717  -0.856   7.413
   75    HE2  LYS  14           2HE      LYS  14  -6.563   0.406   9.871
   76    HE3  LYS  14           1HE      LYS  14  -8.122  -0.409   9.941
   77    HZ1  LYS  14           3HZ      LYS  14  -7.157  -2.445   9.373
   78    HZ2  LYS  14           1HZ      LYS  14  -6.096  -1.775  10.510
   79    HZ3  LYS  14           2HZ      LYS  14  -5.708  -1.744   8.860
   80    H    TYR  15           H        TYR  15  -5.425   1.154   3.278
   81    HA   TYR  15           HA       TYR  15  -3.239  -0.564   3.463
   82    HB2  TYR  15           2HB      TYR  15  -4.684  -0.660   1.510
   83    HB3  TYR  15           1HB      TYR  15  -4.233   0.981   1.052
   84    HD1  TYR  15           2HD      TYR  15  -3.092  -2.501   1.251
   85    HD2  TYR  15           1HD      TYR  15  -2.112   1.443  -0.102
   86    HE1  TYR  15           2HE      TYR  15  -1.228  -3.411  -0.069
   87    HE2  TYR  15           1HE      TYR  15  -0.250   0.518  -1.406
   88    HH   TYR  15           HH       TYR  15   1.157  -1.389  -1.515
   89    H    GLU  16           H        GLU  16  -3.406   2.817   2.574
   90    HA   GLU  16           HA       GLU  16  -0.742   3.188   1.887
   91    HB2  GLU  16           2HB      GLU  16  -2.745   5.126   3.070
   92    HB3  GLU  16           1HB      GLU  16  -1.241   5.578   2.324
   93    HG2  GLU  16           2HG      GLU  16  -2.107   4.313   0.274
   94    HG3  GLU  16           1HG      GLU  16  -3.671   4.467   1.063
   95    H    TRP  17           H        TRP  17  -2.346   3.154   5.071
   96    HA   TRP  17           HA       TRP  17   0.102   3.776   6.423
   97    HB2  TRP  17           2HB      TRP  17  -1.732   4.124   7.826
   98    HB3  TRP  17           1HB      TRP  17  -2.496   2.639   7.338
   99    HD1  TRP  17           HD       TRP  17   0.739   3.534   9.159
  100    HE1  TRP  17           1HE      TRP  17   1.100   1.834  11.039
  101    HE3  TRP  17           3HE      TRP  17  -3.199   0.683   8.236
  102    HZ2  TRP  17           2HZ      TRP  17  -0.249  -0.447  12.048
  103    HZ3  TRP  17           3HZ      TRP  17  -3.679  -1.281   9.704
  104    HH2  TRP  17           HH       TRP  17  -2.191  -1.809  11.555
  105    H    LEU  18           H        LEU  18  -1.613   0.785   5.550
  106    HA   LEU  18           HA       LEU  18  -0.047  -1.064   6.832
  107    HB2  LEU  18           2HB      LEU  18  -1.463  -1.087   4.187
  108    HB3  LEU  18           1HB      LEU  18  -0.374  -2.409   4.535
  109    HG   LEU  18           HG       LEU  18  -2.809  -2.861   4.988
  110   HD11  LEU  18          1HD1      LEU  18  -0.883  -3.042   7.314
  111   HD12  LEU  18          2HD1      LEU  18  -1.047  -4.202   5.995
  112   HD13  LEU  18          3HD1      LEU  18  -2.371  -3.968   7.137
  113   HD21  LEU  18          3HD2      LEU  18  -2.312  -0.969   7.295
  114   HD22  LEU  18          1HD2      LEU  18  -3.737  -1.983   7.070
  115   HD23  LEU  18          2HD2      LEU  18  -3.392  -0.682   5.931
  116    H    VAL  19           H        VAL  19   0.496   0.337   3.639
  117    HA   VAL  19           HA       VAL  19   2.981  -0.901   3.153
  118    HB   VAL  19           HB       VAL  19   1.360   0.289   1.526
  119   HG11  VAL  19          1HG1      VAL  19   2.031   2.556   0.873
  120   HG12  VAL  19          2HG1      VAL  19   3.029   2.641   2.326
  121   HG13  VAL  19          3HG1      VAL  19   1.281   2.464   2.464
  122   HG21  VAL  19          3HG2      VAL  19   3.218   0.744  -0.061
  123   HG22  VAL  19          1HG2      VAL  19   3.334  -0.817   0.752
  124   HG23  VAL  19          2HG2      VAL  19   4.346   0.528   1.276
  125    H    SER  20           H        SER  20   2.099   2.140   4.684
  126    HA   SER  20           HA       SER  20   4.807   3.010   4.986
  127    HB2  SER  20           2HB      SER  20   3.920   4.827   6.204
  128    HB3  SER  20           1HB      SER  20   2.772   4.493   4.926
  129    HG   SER  20           HG       SER  20   1.929   3.044   6.888
  130    H    ARG  21           H        ARG  21   2.796   0.847   6.724
  131    HA   ARG  21           HA       ARG  21   4.098   1.181   9.215
  132    HB2  ARG  21           2HB      ARG  21   2.318   0.061  10.051
  133    HB3  ARG  21           1HB      ARG  21   1.589   0.374   8.493
  134    HG2  ARG  21           2HG      ARG  21   2.380  -1.707   7.722
  135    HG3  ARG  21           1HG      ARG  21   3.133  -2.048   9.245
  136    HD2  ARG  21           2HD      ARG  21   0.657  -1.559  10.102
  137    HD3  ARG  21           1HD      ARG  21   0.277  -2.116   8.475
  138    HE   ARG  21           HE       ARG  21   1.178  -3.699  10.699
  139   HH11  ARG  21          1HH1      ARG  21   1.163  -3.560   7.197
  140   HH12  ARG  21          2HH1      ARG  21   1.113  -5.284   7.011
  141   HH21  ARG  21          1HH2      ARG  21   1.154  -5.954  10.450
  142   HH22  ARG  21          2HH2      ARG  21   1.129  -6.641   8.856
  143    H    ILE  22           H        ILE  22   4.453  -0.592   6.373
  144    HA   ILE  22           HA       ILE  22   6.339  -2.481   7.591
  145    HB   ILE  22           HB       ILE  22   5.286  -2.336   4.773
  146   HG12  ILE  22          2HG1      ILE  22   3.754  -2.826   6.835
  147   HG13  ILE  22          1HG1      ILE  22   3.618  -3.785   5.389
  148   HG21  ILE  22          1HG2      ILE  22   6.195  -4.552   4.514
  149   HG22  ILE  22          2HG2      ILE  22   6.734  -4.557   6.192
  150   HG23  ILE  22          3HG2      ILE  22   7.477  -3.457   5.029
  151   HD11  ILE  22          3HD1      ILE  22   5.049  -4.530   7.926
  152   HD12  ILE  22          1HD1      ILE  22   5.044  -5.506   6.457
  153   HD13  ILE  22          2HD1      ILE  22   3.536  -5.213   7.325
  154    H    VAL  23           H        VAL  23   6.243  -0.656   4.545
  155    HA   VAL  23           HA       VAL  23   9.056  -0.371   4.253
  156    HB   VAL  23           HB       VAL  23   6.864   1.312   3.055
  157   HG11  VAL  23          1HG1      VAL  23   9.646   0.635   2.085
  158   HG12  VAL  23          2HG1      VAL  23   9.127   2.191   2.730
  159   HG13  VAL  23          3HG1      VAL  23   8.460   1.602   1.208
  160   HG21  VAL  23          3HG2      VAL  23   6.836  -0.271   1.207
  161   HG22  VAL  23          1HG2      VAL  23   6.405  -1.062   2.723
  162   HG23  VAL  23          2HG2      VAL  23   8.018  -1.281   2.040
  163    H    LYS  24           H        LYS  24  10.398   0.998   5.127
  164    HA   LYS  24           HA       LYS  24   9.328   3.343   6.573
  165    HB2  LYS  24           2HB      LYS  24   9.821   1.389   8.061
  166    HB3  LYS  24           1HB      LYS  24  11.507   1.542   7.595
  167    HG2  LYS  24           2HG      LYS  24  11.508   2.743   9.486
  168    HG3  LYS  24           1HG      LYS  24  11.157   4.020   8.333
  169    HD2  LYS  24           2HD      LYS  24   9.450   2.810  10.427
  170    HD3  LYS  24           1HD      LYS  24   9.554   4.453   9.826
  171    HE2  LYS  24           2HE      LYS  24   8.237   3.966   7.928
  172    HE3  LYS  24           1HE      LYS  24   8.315   2.237   8.259
  173    HZ1  LYS  24           3HZ      LYS  24   7.003   2.584  10.249
  174    HZ2  LYS  24           1HZ      LYS  24   6.182   3.189   8.895
  175    HZ3  LYS  24           2HZ      LYS  24   6.952   4.257   9.962
  176    H    ASN  25           H        ASN  25  12.139   1.792   5.105
  177    HA   ASN  25           HA       ASN  25  13.614   4.305   5.210
  178    HB2  ASN  25           2HB      ASN  25  14.522   2.002   5.941
  179    HB3  ASN  25           1HB      ASN  25  14.718   1.756   4.225
  180   HD21  ASN  25          1HD2      ASN  25  15.875   3.371   7.000
  181   HD22  ASN  25          2HD2      ASN  25  17.271   4.075   6.264
  182    H    HIS  26           H        HIS  26  11.546   2.849   3.158
  183    HA   HIS  26           HA       HIS  26  11.031   2.871   0.978
  184    HB2  HIS  26           2HB      HIS  26  11.389   4.784  -0.320
  185    HB3  HIS  26           1HB      HIS  26  11.374   5.373   1.325
  186    HD1  HIS  26           1HD      HIS  26  12.916   7.254   1.451
  187    HD2  HIS  26           2HD      HIS  26  14.431   4.230  -0.955
  188    HE1  HIS  26           1HE      HIS  26  15.279   7.925   0.901
  189    HE2  HIS  26           2HE      HIS  26  16.038   6.249  -0.812
  190    H    ASN  27           H        ASN  27  13.930   1.974   2.011
  191    HA   ASN  27           HA       ASN  27  15.081   1.425  -0.609
  192    HB2  ASN  27           2HB      ASN  27  16.103   1.497   2.194
  193    HB3  ASN  27           1HB      ASN  27  16.911   0.444   1.056
  194   HD21  ASN  27          1HD2      ASN  27  16.118   3.808   1.753
  195   HD22  ASN  27          2HD2      ASN  27  17.359   4.413   0.732
  196    H    GLU  28           H        GLU  28  12.675   0.227   0.739
  197    HA   GLU  28           HA       GLU  28  13.257  -2.596   0.856
  198    HB2  GLU  28           2HB      GLU  28  10.736  -0.943   1.025
  199    HB3  GLU  28           1HB      GLU  28  10.700  -2.695   0.981
  200    HG2  GLU  28           2HG      GLU  28  10.476  -1.913   3.234
  201    HG3  GLU  28           1HG      GLU  28  11.993  -2.772   3.052
  202    H    ASN  29           H        ASN  29  11.725  -4.023  -0.503
  203    HA   ASN  29           HA       ASN  29  11.378  -2.917  -3.218
  204    HB2  ASN  29           2HB      ASN  29  12.689  -5.463  -2.378
  205    HB3  ASN  29           1HB      ASN  29  11.743  -5.472  -3.861
  206   HD21  ASN  29          1HD2      ASN  29  14.545  -5.896  -3.583
  207   HD22  ASN  29          2HD2      ASN  29  15.331  -4.657  -4.510
  208    H    TRP  30           H        TRP  30   9.467  -3.286  -4.182
  209    HA   TRP  30           HA       TRP  30   7.204  -3.529  -2.663
  210    HB2  TRP  30           2HB      TRP  30   6.935  -2.577  -4.755
  211    HB3  TRP  30           1HB      TRP  30   7.675  -3.925  -5.579
  212    HD1  TRP  30           HD       TRP  30   6.055  -5.259  -6.814
  213    HE1  TRP  30           1HE      TRP  30   3.555  -5.900  -6.624
  214    HE3  TRP  30           3HE      TRP  30   5.025  -2.892  -2.448
  215    HZ2  TRP  30           2HZ      TRP  30   1.428  -5.423  -4.812
  216    HZ3  TRP  30           3HZ      TRP  30   2.753  -3.020  -1.541
  217    HH2  TRP  30           HH       TRP  30   0.987  -4.263  -2.691
  218    H    LEU  31           H        LEU  31   8.563  -6.182  -4.595
  219    HA   LEU  31           HA       LEU  31   6.446  -7.950  -4.145
  220    HB2  LEU  31           2HB      LEU  31   9.333  -8.399  -4.825
  221    HB3  LEU  31           1HB      LEU  31   8.106  -9.647  -4.871
  222    HG   LEU  31           HG       LEU  31   8.406  -8.900  -7.049
  223   HD11  LEU  31          1HD1      LEU  31   5.921  -7.630  -6.010
  224   HD12  LEU  31          2HD1      LEU  31   6.114  -9.316  -6.488
  225   HD13  LEU  31          3HD1      LEU  31   6.232  -8.039  -7.698
  226   HD21  LEU  31          3HD2      LEU  31   9.497  -6.736  -6.511
  227   HD22  LEU  31          1HD2      LEU  31   7.879  -6.062  -6.312
  228   HD23  LEU  31          2HD2      LEU  31   8.384  -6.694  -7.877
  229    H    SER  32           H        SER  32   9.586  -7.623  -2.596
  230    HA   SER  32           HA       SER  32   9.217  -9.497  -0.577
  231    HB2  SER  32           2HB      SER  32  10.979  -7.108  -0.962
  232    HB3  SER  32           1HB      SER  32  10.963  -7.959   0.566
  233    HG   SER  32           HG       SER  32  12.538  -8.902  -0.658
  234    H    VAL  33           H        VAL  33   8.372  -5.986  -0.629
  235    HA   VAL  33           HA       VAL  33   7.559  -6.125   2.100
  236    HB   VAL  33           HB       VAL  33   6.202  -3.959   1.332
  237   HG11  VAL  33          1HG1      VAL  33   8.151  -2.644   1.930
  238   HG12  VAL  33          2HG1      VAL  33   9.195  -4.034   1.645
  239   HG13  VAL  33          3HG1      VAL  33   8.037  -4.060   2.974
  240   HG21  VAL  33          3HG2      VAL  33   7.301  -2.747  -0.382
  241   HG22  VAL  33          1HG2      VAL  33   6.689  -4.274  -1.015
  242   HG23  VAL  33          2HG2      VAL  33   8.408  -4.094  -0.658
  243    H    SER  34           H        SER  34   6.123  -6.957  -0.908
  244    HA   SER  34           HA       SER  34   3.431  -7.164   0.041
  245    HB2  SER  34           2HB      SER  34   4.810  -8.689  -2.195
  246    HB3  SER  34           1HB      SER  34   3.073  -8.590  -1.936
  247    HG   SER  34           HG       SER  34   4.748  -6.351  -2.408
  248    H    ARG  35           H        ARG  35   6.213  -9.365  -0.133
  249    HA   ARG  35           HA       ARG  35   5.303 -11.687   0.923
  250    HB2  ARG  35           2HB      ARG  35   7.756 -10.086   1.600
  251    HB3  ARG  35           1HB      ARG  35   7.493 -11.724   2.058
  252    HG2  ARG  35           2HG      ARG  35   7.640 -10.773  -0.695
  253    HG3  ARG  35           1HG      ARG  35   8.903 -11.581   0.197
  254    HD2  ARG  35           2HD      ARG  35   7.243 -13.437   0.583
  255    HD3  ARG  35           1HD      ARG  35   6.268 -12.637  -0.630
  256    HE   ARG  35           HE       ARG  35   8.427 -12.959  -2.054
  257   HH11  ARG  35          1HH1      ARG  35   7.120 -15.141   0.344
  258   HH12  ARG  35          2HH1      ARG  35   7.708 -16.579  -0.433
  259   HH21  ARG  35          1HH2      ARG  35   9.225 -14.865  -3.100
  260   HH22  ARG  35          2HH2      ARG  35   8.909 -16.423  -2.389
  261    H    LYS  36           H        LYS  36   6.600  -9.012   2.671
  262    HA   LYS  36           HA       LYS  36   5.900  -9.573   5.266
  263    HB2  LYS  36           2HB      LYS  36   5.955  -6.842   3.996
  264    HB3  LYS  36           1HB      LYS  36   6.315  -7.245   5.654
  265    HG2  LYS  36           2HG      LYS  36   8.190  -8.593   4.836
  266    HG3  LYS  36           1HG      LYS  36   7.910  -7.962   3.247
  267    HD2  LYS  36           2HD      LYS  36   8.298  -5.736   4.095
  268    HD3  LYS  36           1HD      LYS  36   8.610  -6.376   5.699
  269    HE2  LYS  36           2HE      LYS  36  10.502  -7.646   4.808
  270    HE3  LYS  36           1HE      LYS  36  10.185  -6.997   3.201
  271    HZ1  LYS  36           3HZ      LYS  36  10.831  -5.319   5.563
  272    HZ2  LYS  36           1HZ      LYS  36  10.738  -4.819   3.948
  273    HZ3  LYS  36           2HZ      LYS  36  11.985  -5.850   4.443
  274    H    MET  37           H        MET  37   4.293  -7.312   3.155
  275    HA   MET  37           HA       MET  37   2.134  -6.738   4.839
  276    HB2  MET  37           2HB      MET  37   2.925  -6.095   2.113
  277    HB3  MET  37           1HB      MET  37   1.185  -6.104   2.343
  278    HG2  MET  37           2HG      MET  37   1.581  -4.614   4.347
  279    HG3  MET  37           1HG      MET  37   3.245  -4.465   3.787
  280    HE1  MET  37           3HE      MET  37   2.731  -2.824   0.259
  281    HE2  MET  37           1HE      MET  37   2.724  -4.556   0.592
  282    HE3  MET  37           2HE      MET  37   3.893  -3.510   1.394
  283    H    GLN  38           H        GLN  38   2.465  -9.558   2.886
  284    HA   GLN  38           HA       GLN  38  -0.259  -9.878   2.195
  285    HB2  GLN  38           2HB      GLN  38   0.267 -12.041   1.479
  286    HB3  GLN  38           1HB      GLN  38   1.728 -11.109   1.221
  287    HG2  GLN  38           2HG      GLN  38   2.590 -13.014   2.115
  288    HG3  GLN  38           1HG      GLN  38   2.384 -12.041   3.560
  289   HE21  GLN  38          1HE2      GLN  38  -0.306 -13.462   1.905
  290   HE22  GLN  38          2HE2      GLN  38  -0.666 -14.634   3.124
  291    H    ALA  39           H        ALA  39   1.485 -10.403   5.098
  292    HA   ALA  39           HA       ALA  39  -0.571 -11.986   6.364
  293    HB1  ALA  39           1HB      ALA  39   1.789 -12.178   7.033
  294    HB2  ALA  39           2HB      ALA  39   0.750 -11.735   8.387
  295    HB3  ALA  39           3HB      ALA  39   1.751 -10.512   7.607
  296    H    SER  40           H        SER  40  -1.219  -9.319   5.175
  297    HA   SER  40           HA       SER  40  -2.551  -8.184   7.511
  298    HB2  SER  40           2HB      SER  40  -1.346  -6.447   5.371
  299    HB3  SER  40           1HB      SER  40  -1.892  -5.997   6.979
  300    HG   SER  40           HG       SER  40   0.019  -7.894   7.121
  301    HA   PRO  41           HA       PRO  41  -6.086  -8.834   4.925
  302    HB2  PRO  41           2HB      PRO  41  -7.640  -7.012   6.351
  303    HB3  PRO  41           1HB      PRO  41  -7.492  -8.724   6.681
  304    HG2  PRO  41           2HG      PRO  41  -6.196  -6.464   7.988
  305    HG3  PRO  41           1HG      PRO  41  -6.670  -8.017   8.651
  306    HD2  PRO  41           2HD      PRO  41  -4.097  -7.399   8.135
  307    HD3  PRO  41           1HD      PRO  41  -4.727  -9.050   7.984
  308    H    GLU  42           H        GLU  42  -5.046  -5.615   5.831
  309    HA   GLU  42           HA       GLU  42  -6.666  -4.279   3.992
  310    HB2  GLU  42           2HB      GLU  42  -4.246  -3.523   5.514
  311    HB3  GLU  42           1HB      GLU  42  -4.857  -2.432   4.276
  312    HG2  GLU  42           2HG      GLU  42  -5.748  -1.729   6.337
  313    HG3  GLU  42           1HG      GLU  42  -7.048  -2.517   5.455
  314    H    TYR  43           H        TYR  43  -3.316  -5.328   3.736
  315    HA   TYR  43           HA       TYR  43  -2.830  -4.342   1.160
  316    HB2  TYR  43           2HB      TYR  43  -0.893  -5.036   2.188
  317    HB3  TYR  43           1HB      TYR  43  -1.643  -6.461   2.887
  318    HD1  TYR  43           1HD      TYR  43  -0.124  -5.041  -0.163
  319    HD2  TYR  43           2HD      TYR  43  -1.639  -8.569   1.687
  320    HE1  TYR  43           1HE      TYR  43   0.852  -6.405  -1.965
  321    HE2  TYR  43           2HE      TYR  43  -0.658  -9.936  -0.106
  322    HH   TYR  43           HH       TYR  43   1.571  -8.702  -2.367
  323    H    GLN  44           H        GLN  44  -4.114  -7.445   2.286
  324    HA   GLN  44           HA       GLN  44  -4.473  -8.722  -0.172
  325    HB2  GLN  44           2HB      GLN  44  -6.348  -8.842   2.187
  326    HB3  GLN  44           1HB      GLN  44  -6.157 -10.056   0.931
  327    HG2  GLN  44           2HG      GLN  44  -3.872  -9.263   2.672
  328    HG3  GLN  44           1HG      GLN  44  -5.078 -10.425   3.199
  329   HE21  GLN  44          1HE2      GLN  44  -3.520 -12.074   3.276
  330   HE22  GLN  44          2HE2      GLN  44  -2.889 -12.802   1.843
  331    H    ASP  45           H        ASP  45  -6.917  -7.078   1.744
  332    HA   ASP  45           HA       ASP  45  -8.980  -7.041  -0.054
  333    HB2  ASP  45           2HB      ASP  45  -8.253  -5.192   2.183
  334    HB3  ASP  45           1HB      ASP  45  -9.675  -4.878   1.197
  335    H    TYR  46           H        TYR  46  -6.506  -4.513   0.266
  336    HA   TYR  46           HA       TYR  46  -7.714  -2.843  -1.689
  337    HB2  TYR  46           2HB      TYR  46  -6.206  -1.913  -0.001
  338    HB3  TYR  46           1HB      TYR  46  -4.864  -2.813  -0.706
  339    HD1  TYR  46           2HD      TYR  46  -7.351  -0.151  -1.416
  340    HD2  TYR  46           1HD      TYR  46  -3.648  -1.927  -2.526
  341    HE1  TYR  46           2HE      TYR  46  -6.931   1.707  -2.968
  342    HE2  TYR  46           1HE      TYR  46  -3.220  -0.073  -4.083
  343    HH   TYR  46           HH       TYR  46  -4.523   1.615  -5.336
  344    H    VAL  47           H        VAL  47  -5.221  -5.302  -1.905
  345    HA   VAL  47           HA       VAL  47  -4.724  -4.690  -4.633
  346    HB   VAL  47           HB       VAL  47  -4.007  -7.126  -3.003
  347   HG11  VAL  47          1HG1      VAL  47  -4.175  -7.804  -5.322
  348   HG12  VAL  47          2HG1      VAL  47  -2.482  -7.746  -4.830
  349   HG13  VAL  47          3HG1      VAL  47  -3.161  -6.449  -5.813
  350   HG21  VAL  47          3HG2      VAL  47  -2.876  -5.064  -2.352
  351   HG22  VAL  47          1HG2      VAL  47  -2.321  -4.843  -4.013
  352   HG23  VAL  47          2HG2      VAL  47  -1.749  -6.216  -3.065
  353    H    TYR  48           H        TYR  48  -7.078  -6.470  -2.946
  354    HA   TYR  48           HA       TYR  48  -7.937  -8.162  -5.071
  355    HB2  TYR  48           2HB      TYR  48  -8.541  -8.881  -2.958
  356    HB3  TYR  48           1HB      TYR  48  -8.938  -7.270  -2.403
  357    HD1  TYR  48           1HD      TYR  48 -10.130 -10.112  -4.409
  358    HD2  TYR  48           2HD      TYR  48 -11.069  -6.392  -2.609
  359    HE1  TYR  48           1HE      TYR  48 -12.528 -10.564  -4.776
  360    HE2  TYR  48           2HE      TYR  48 -13.484  -6.824  -2.959
  361    HH   TYR  48           HH       TYR  48 -14.744  -9.769  -3.622
  362    H    LEU  49           H        LEU  49  -9.092  -5.161  -3.627
  363    HA   LEU  49           HA       LEU  49 -11.161  -4.574  -5.437
  364    HB2  LEU  49           2HB      LEU  49  -9.441  -2.510  -4.100
  365    HB3  LEU  49           1HB      LEU  49 -11.108  -2.340  -4.595
  366    HG   LEU  49           HG       LEU  49 -10.168  -4.163  -2.408
  367   HD11  LEU  49          1HD1      LEU  49 -11.307  -1.377  -2.240
  368   HD12  LEU  49          2HD1      LEU  49  -9.669  -1.869  -1.813
  369   HD13  LEU  49          3HD1      LEU  49 -11.039  -2.450  -0.866
  370   HD21  LEU  49          3HD2      LEU  49 -12.319  -4.788  -3.395
  371   HD22  LEU  49          1HD2      LEU  49 -12.919  -3.147  -3.138
  372   HD23  LEU  49          2HD2      LEU  49 -12.533  -4.171  -1.756
  373    H    GLU  50           H        GLU  50  -8.024  -2.958  -5.228
  374    HA   GLU  50           HA       GLU  50  -8.419  -1.838  -7.883
  375    HB2  GLU  50           2HB      GLU  50  -6.319  -1.397  -5.770
  376    HB3  GLU  50           1HB      GLU  50  -6.260  -0.629  -7.352
  377    HG2  GLU  50           2HG      GLU  50  -8.493  -0.355  -5.366
  378    HG3  GLU  50           1HG      GLU  50  -7.212   0.825  -5.629
  379    H    GLY  51           H        GLY  51  -5.798  -3.631  -6.286
  380    HA2  GLY  51           2HA      GLY  51  -5.177  -5.647  -7.770
  381    HA3  GLY  51           1HA      GLY  51  -4.849  -4.401  -8.964
  382    H    THR  52           H        THR  52  -2.876  -6.108  -8.316
  383    HA   THR  52           HA       THR  52  -1.241  -5.287  -6.154
  384    HB   THR  52           HB       THR  52   0.010  -6.578  -8.515
  385    HG1  THR  52           1HG      THR  52  -1.175  -8.572  -7.386
  386   HG21  THR  52          3HG2      THR  52   0.911  -8.050  -6.765
  387   HG22  THR  52          1HG2      THR  52  -0.077  -7.218  -5.567
  388   HG23  THR  52          2HG2      THR  52   1.210  -6.349  -6.404
  389    H    GLN  53           H        GLN  53  -1.692  -4.145  -9.371
  390    HA   GLN  53           HA       GLN  53   0.875  -2.992  -9.757
  391    HB2  GLN  53           2HB      GLN  53  -1.774  -2.479 -11.095
  392    HB3  GLN  53           1HB      GLN  53  -0.266  -1.730 -11.598
  393    HG2  GLN  53           2HG      GLN  53  -0.635  -3.527 -13.016
  394    HG3  GLN  53           1HG      GLN  53   0.652  -4.026 -11.938
  395   HE21  GLN  53          1HE2      GLN  53  -2.755  -3.946 -11.076
  396   HE22  GLN  53          2HE2      GLN  53  -2.946  -5.665 -10.939
  397    H    LYS  54           H        LYS  54  -2.289  -1.455  -9.224
  398    HA   LYS  54           HA       LYS  54  -1.299   1.116  -8.691
  399    HB2  LYS  54           2HB      LYS  54  -3.786  -0.137  -7.733
  400    HB3  LYS  54           1HB      LYS  54  -3.453   1.568  -7.720
  401    HG2  LYS  54           2HG      LYS  54  -3.060   1.309 -10.198
  402    HG3  LYS  54           1HG      LYS  54  -3.886  -0.222 -10.009
  403    HD2  LYS  54           2HD      LYS  54  -5.615   1.182  -8.729
  404    HD3  LYS  54           1HD      LYS  54  -4.919   2.528  -9.618
  405    HE2  LYS  54           2HE      LYS  54  -5.450   1.513 -11.716
  406    HE3  LYS  54           1HE      LYS  54  -5.958   0.024 -10.922
  407    HZ1  LYS  54           3HZ      LYS  54  -7.766   1.256  -9.873
  408    HZ2  LYS  54           1HZ      LYS  54  -7.863   1.347 -11.567
  409    HZ3  LYS  54           2HZ      LYS  54  -7.284   2.667 -10.675
  410    H    ALA  55           H        ALA  55  -1.736  -1.636  -6.610
  411    HA   ALA  55           HA       ALA  55  -1.158  -0.259  -4.148
  412    HB1  ALA  55           1HB      ALA  55  -0.874  -3.197  -4.837
  413    HB2  ALA  55           2HB      ALA  55  -2.333  -2.422  -4.220
  414    HB3  ALA  55           3HB      ALA  55  -0.886  -2.500  -3.216
  415    H    LYS  56           H        LYS  56   0.781  -1.941  -6.603
  416    HA   LYS  56           HA       LYS  56   3.255  -1.737  -5.279
  417    HB2  LYS  56           2HB      LYS  56   2.790  -3.230  -7.215
  418    HB3  LYS  56           1HB      LYS  56   2.591  -1.814  -8.231
  419    HG2  LYS  56           2HG      LYS  56   4.819  -1.209  -7.997
  420    HG3  LYS  56           1HG      LYS  56   5.120  -2.393  -6.739
  421    HD2  LYS  56           2HD      LYS  56   4.676  -4.184  -8.390
  422    HD3  LYS  56           1HD      LYS  56   4.507  -2.953  -9.636
  423    HE2  LYS  56           2HE      LYS  56   6.787  -2.233  -9.298
  424    HE3  LYS  56           1HE      LYS  56   6.971  -3.359  -7.956
  425    HZ1  LYS  56           3HZ      LYS  56   6.599  -4.026 -10.820
  426    HZ2  LYS  56           1HZ      LYS  56   6.532  -5.172  -9.574
  427    HZ3  LYS  56           2HZ      LYS  56   7.969  -4.320  -9.862
  428    H    LYS  57           H        LYS  57   1.777   0.116  -7.897
  429    HA   LYS  57           HA       LYS  57   3.375   2.316  -8.000
  430    HB2  LYS  57           2HB      LYS  57   0.808   1.417  -8.838
  431    HB3  LYS  57           1HB      LYS  57   0.668   3.077  -8.387
  432    HG2  LYS  57           2HG      LYS  57   1.242   3.198 -10.612
  433    HG3  LYS  57           1HG      LYS  57   2.808   3.376  -9.805
  434    HD2  LYS  57           2HD      LYS  57   3.099   0.920  -9.958
  435    HD3  LYS  57           1HD      LYS  57   1.623   0.891 -10.892
  436    HE2  LYS  57           2HE      LYS  57   2.594   2.220 -12.622
  437    HE3  LYS  57           1HE      LYS  57   4.011   2.463 -11.620
  438    HZ1  LYS  57           3HZ      LYS  57   4.503   0.096 -11.773
  439    HZ2  LYS  57           1HZ      LYS  57   4.455   0.815 -13.306
  440    HZ3  LYS  57           2HZ      LYS  57   3.149  -0.123 -12.774
  441    H    LEU  58           H        LEU  58   0.739   1.665  -5.717
  442    HA   LEU  58           HA       LEU  58   0.798   4.163  -4.394
  443    HB2  LEU  58           2HB      LEU  58  -1.009   2.393  -4.231
  444    HB3  LEU  58           1HB      LEU  58   0.076   1.468  -3.231
  445    HG   LEU  58           HG       LEU  58  -0.287   2.746  -1.413
  446   HD11  LEU  58          1HD1      LEU  58  -0.924   5.127  -1.434
  447   HD12  LEU  58          2HD1      LEU  58  -0.972   5.093  -3.197
  448   HD13  LEU  58          3HD1      LEU  58   0.559   4.853  -2.349
  449   HD21  LEU  58          3HD2      LEU  58  -2.443   1.851  -2.181
  450   HD22  LEU  58          1HD2      LEU  58  -2.762   3.376  -3.012
  451   HD23  LEU  58          2HD2      LEU  58  -2.628   3.341  -1.253
  452    H    PHE  59           H        PHE  59   2.389   1.064  -3.736
  453    HA   PHE  59           HA       PHE  59   4.056   1.708  -1.642
  454    HB2  PHE  59           2HB      PHE  59   4.057  -0.528  -2.455
  455    HB3  PHE  59           1HB      PHE  59   4.500  -0.021  -4.076
  456    HD1  PHE  59           2HD      PHE  59   5.856   0.130  -0.605
  457    HD2  PHE  59           1HD      PHE  59   6.671  -0.395  -4.756
  458    HE1  PHE  59           2HE      PHE  59   8.215  -0.326  -0.088
  459    HE2  PHE  59           1HE      PHE  59   9.025  -0.844  -4.235
  460    HZ   PHE  59           HZ       PHE  59   9.802  -0.812  -1.903
  461    H    LEU  60           H        LEU  60   4.693   2.218  -5.103
  462    HA   LEU  60           HA       LEU  60   7.192   3.424  -4.939
  463    HB2  LEU  60           2HB      LEU  60   4.953   3.561  -6.896
  464    HB3  LEU  60           1HB      LEU  60   6.257   4.705  -7.054
  465    HG   LEU  60           HG       LEU  60   6.484   2.790  -8.489
  466   HD11  LEU  60          1HD1      LEU  60   8.578   2.809  -6.329
  467   HD12  LEU  60          2HD1      LEU  60   8.484   3.976  -7.649
  468   HD13  LEU  60          3HD1      LEU  60   8.803   2.276  -7.995
  469   HD21  LEU  60          3HD2      LEU  60   6.686   1.195  -5.960
  470   HD22  LEU  60          1HD2      LEU  60   7.075   0.588  -7.570
  471   HD23  LEU  60          2HD2      LEU  60   5.425   1.079  -7.188
  472    H    GLN  61           H        GLN  61   4.061   5.086  -5.184
  473    HA   GLN  61           HA       GLN  61   4.921   7.680  -4.787
  474    HB2  GLN  61           2HB      GLN  61   2.408   6.465  -3.602
  475    HB3  GLN  61           1HB      GLN  61   2.692   8.149  -3.941
  476    HG2  GLN  61           2HG      GLN  61   2.681   6.095  -6.050
  477    HG3  GLN  61           1HG      GLN  61   1.230   6.934  -5.552
  478   HE21  GLN  61          1HE2      GLN  61   0.958   7.828  -7.555
  479   HE22  GLN  61          2HE2      GLN  61   1.981   9.070  -8.156
  480    H    HIS  62           H        HIS  62   4.041   5.290  -2.314
  481    HA   HIS  62           HA       HIS  62   4.553   7.041  -0.152
  482    HB2  HIS  62           2HB      HIS  62   3.217   4.968   0.113
  483    HB3  HIS  62           1HB      HIS  62   4.695   4.023  -0.089
  484    HD1  HIS  62           1HD      HIS  62   5.985   3.560   1.991
  485    HD2  HIS  62           2HD      HIS  62   3.383   6.756   2.453
  486    HE1  HIS  62           1HE      HIS  62   6.182   4.246   4.393
  487    HE2  HIS  62           2HE      HIS  62   4.799   6.344   4.580
  488    H    ILE  63           H        ILE  63   6.626   4.865  -1.958
  489    HA   ILE  63           HA       ILE  63   8.931   5.027  -0.421
  490    HB   ILE  63           HB       ILE  63   8.587   4.956  -3.405
  491   HG12  ILE  63          2HG1      ILE  63   7.844   2.968  -2.325
  492   HG13  ILE  63          1HG1      ILE  63   9.422   2.636  -2.994
  493   HG21  ILE  63          1HG2      ILE  63  10.734   6.024  -2.905
  494   HG22  ILE  63          2HG2      ILE  63  10.956   4.411  -3.586
  495   HG23  ILE  63          3HG2      ILE  63  11.157   4.674  -1.855
  496   HD11  ILE  63          3HD1      ILE  63  10.449   2.887  -0.829
  497   HD12  ILE  63          1HD1      ILE  63   9.172   1.670  -0.790
  498   HD13  ILE  63          2HD1      ILE  63   8.878   3.279  -0.129
  499    H    HIS  64           H        HIS  64   7.752   7.216  -2.925
  500    HA   HIS  64           HA       HIS  64   9.798   9.196  -2.756
  501    HB2  HIS  64           2HB      HIS  64   8.314   9.253  -4.625
  502    HB3  HIS  64           1HB      HIS  64   6.905   9.126  -3.633
  503    HD1  HIS  64           1HD      HIS  64   7.130  11.359  -1.840
  504    HD2  HIS  64           2HD      HIS  64   8.122  11.692  -5.835
  505    HE1  HIS  64           1HE      HIS  64   7.067  13.830  -2.337
  506    HE2  HIS  64           2HE      HIS  64   7.355  13.967  -4.855
  507    H    ARG  65           H        ARG  65   6.669   8.834  -1.184
  508    HA   ARG  65           HA       ARG  65   6.609  11.158   0.245
  509    HB2  ARG  65           2HB      ARG  65   5.517   8.515   0.826
  510    HB3  ARG  65           1HB      ARG  65   5.078   9.953   1.680
  511    HG2  ARG  65           2HG      ARG  65   4.244  10.924  -0.146
  512    HG3  ARG  65           1HG      ARG  65   4.983   9.793  -1.247
  513    HD2  ARG  65           2HD      ARG  65   2.879   9.103  -1.229
  514    HD3  ARG  65           1HD      ARG  65   3.559   8.076   0.000
  515    HE   ARG  65           HE       ARG  65   2.512  10.260   1.329
  516   HH11  ARG  65          1HH1      ARG  65   1.289   7.722  -0.765
  517   HH12  ARG  65          2HH1      ARG  65  -0.323   7.754  -0.113
  518   HH21  ARG  65          1HH2      ARG  65   0.358  10.349   2.164
  519   HH22  ARG  65          2HH2      ARG  65  -0.844   9.261   1.537
  520    H    LEU  66           H        LEU  66   7.693   8.021   1.332
  521    HA   LEU  66           HA       LEU  66   9.021   8.508   3.687
  522    HB2  LEU  66           2HB      LEU  66   9.815   6.816   1.350
  523    HB3  LEU  66           1HB      LEU  66  10.586   6.700   2.896
  524    HG   LEU  66           HG       LEU  66   7.677   6.291   2.458
  525   HD11  LEU  66          1HD1      LEU  66   8.924   4.639   1.182
  526   HD12  LEU  66          2HD1      LEU  66   8.167   3.887   2.586
  527   HD13  LEU  66          3HD1      LEU  66   9.891   4.255   2.606
  528   HD21  LEU  66          3HD2      LEU  66   9.545   5.642   4.717
  529   HD22  LEU  66          1HD2      LEU  66   7.840   5.189   4.656
  530   HD23  LEU  66          2HD2      LEU  66   8.302   6.889   4.709
  531    H    LYS  67           H        LYS  67  10.264   8.787   0.464
  532    HA   LYS  67           HA       LYS  67  12.836   9.663   1.007
  533    HB2  LYS  67           2HB      LYS  67  11.037  10.250  -1.342
  534    HB3  LYS  67           1HB      LYS  67  12.756  10.427  -1.320
  535    HG2  LYS  67           2HG      LYS  67  12.820   8.003  -0.699
  536    HG3  LYS  67           1HG      LYS  67  11.174   7.954  -1.265
  537    HD2  LYS  67           2HD      LYS  67  13.677   8.412  -2.758
  538    HD3  LYS  67           1HD      LYS  67  12.355   7.325  -3.140
  539    HE2  LYS  67           2HE      LYS  67  10.982   9.434  -3.518
  540    HE3  LYS  67           1HE      LYS  67  12.526  10.292  -3.501
  541    HZ1  LYS  67           3HZ      LYS  67  13.176   9.366  -5.459
  542    HZ2  LYS  67           1HZ      LYS  67  11.506   9.415  -5.729
  543    HZ3  LYS  67           2HZ      LYS  67  12.249   7.959  -5.268
  544    H    HIS  68           H        HIS  68   9.941  11.553   0.250
  545    HA   HIS  68           HA       HIS  68  10.707  13.810   1.687
  546    HB2  HIS  68           2HB      HIS  68  10.957  15.315  -0.287
  547    HB3  HIS  68           1HB      HIS  68  12.315  14.268   0.024
  548    HD1  HIS  68           1HD      HIS  68  10.164  12.067  -1.486
  549    HD2  HIS  68           2HD      HIS  68  12.251  15.350  -2.919
  550    HE1  HIS  68           1HE      HIS  68  10.363  11.713  -3.982
  551    HE2  HIS  68           2HE      HIS  68  11.461  13.815  -4.842
  552    H    GLU  69           H        GLU  69   8.610  13.636   2.450
  553    HA   GLU  69           HA       GLU  69   6.466  13.993   0.496
  554    HB2  GLU  69           2HB      GLU  69   6.570  12.378   2.667
  555    HB3  GLU  69           1HB      GLU  69   5.736  13.770   3.321
  556    HG2  GLU  69           2HG      GLU  69   4.309  13.533   1.188
  557    HG3  GLU  69           1HG      GLU  69   4.927  11.898   1.170
  Start of MODEL   12
    1    H    SER   5           H        SER   5 -19.201   1.783  -1.450
    2    HA   SER   5           HA       SER   5 -18.098   3.652  -2.047
    3    HB2  SER   5           2HB      SER   5 -19.715   5.057   0.084
    4    HB3  SER   5           1HB      SER   5 -18.835   5.815  -1.243
    5    HG   SER   5           HG       SER   5 -20.660   5.614  -2.267
    6    H    GLN   6           H        GLN   6 -18.395   3.555   1.507
    7    HA   GLN   6           HA       GLN   6 -16.195   5.029   2.226
    8    HB2  GLN   6           2HB      GLN   6 -17.898   4.069   3.770
    9    HB3  GLN   6           1HB      GLN   6 -17.104   2.512   3.605
   10    HG2  GLN   6           2HG      GLN   6 -14.993   3.743   4.408
   11    HG3  GLN   6           1HG      GLN   6 -16.116   4.991   4.947
   12   HE21  GLN   6          1HE2      GLN   6 -14.958   1.772   5.436
   13   HE22  GLN   6          2HE2      GLN   6 -15.741   1.494   6.954
   14    H    GLN   7           H        GLN   7 -16.272   1.586   1.424
   15    HA   GLN   7           HA       GLN   7 -13.686   0.918   2.244
   16    HB2  GLN   7           2HB      GLN   7 -15.645  -0.584   1.527
   17    HB3  GLN   7           1HB      GLN   7 -15.009  -0.406  -0.091
   18    HG2  GLN   7           2HG      GLN   7 -14.244  -2.432   1.006
   19    HG3  GLN   7           1HG      GLN   7 -12.934  -1.347   0.613
   20   HE21  GLN   7          1HE2      GLN   7 -11.630  -2.430   2.155
   21   HE22  GLN   7          2HE2      GLN   7 -11.828  -2.103   3.847
   22    H    ILE   8           H        ILE   8 -14.799   2.499  -0.644
   23    HA   ILE   8           HA       ILE   8 -12.574   1.921  -2.300
   24    HB   ILE   8           HB       ILE   8 -14.431   4.287  -2.480
   25   HG12  ILE   8          2HG1      ILE   8 -14.673   1.608  -3.781
   26   HG13  ILE   8          1HG1      ILE   8 -15.625   2.132  -2.407
   27   HG21  ILE   8          1HG2      ILE   8 -12.440   4.544  -3.855
   28   HG22  ILE   8          2HG2      ILE   8 -13.865   4.286  -4.860
   29   HG23  ILE   8          3HG2      ILE   8 -12.733   2.963  -4.580
   30   HD11  ILE   8          3HD1      ILE   8 -16.587   3.916  -3.774
   31   HD12  ILE   8          1HD1      ILE   8 -16.889   2.321  -4.464
   32   HD13  ILE   8          2HD1      ILE   8 -15.641   3.357  -5.154
   33    H    ALA   9           H        ALA   9 -13.030   4.049   0.303
   34    HA   ALA   9           HA       ALA   9 -10.638   5.591  -0.405
   35    HB1  ALA   9           1HB      ALA   9 -11.385   7.252   1.215
   36    HB2  ALA   9           2HB      ALA   9 -12.766   6.235   1.626
   37    HB3  ALA   9           3HB      ALA   9 -12.638   6.935   0.013
   38    H    THR  10           H        THR  10 -12.183   3.945   2.302
   39    HA   THR  10           HA       THR  10 -10.005   4.359   4.070
   40    HB   THR  10           HB       THR  10 -11.184   2.745   5.554
   41    HG1  THR  10           1HG      THR  10 -12.491   1.435   4.512
   42   HG21  THR  10          3HG2      THR  10 -11.615   5.163   5.616
   43   HG22  THR  10          1HG2      THR  10 -13.062   4.229   6.005
   44   HG23  THR  10          2HG2      THR  10 -12.885   4.960   4.409
   45    H    ALA  11           H        ALA  11 -10.879   1.678   1.932
   46    HA   ALA  11           HA       ALA  11  -9.077  -0.210   3.012
   47    HB1  ALA  11           1HB      ALA  11  -9.205  -1.351   0.859
   48    HB2  ALA  11           2HB      ALA  11  -9.961   0.070   0.138
   49    HB3  ALA  11           3HB      ALA  11 -10.808  -0.838   1.389
   50    H    LYS  12           H        LYS  12  -8.736   2.226   0.480
   51    HA   LYS  12           HA       LYS  12  -6.001   1.720  -0.048
   52    HB2  LYS  12           2HB      LYS  12  -7.361   2.942  -1.653
   53    HB3  LYS  12           1HB      LYS  12  -7.649   4.218  -0.482
   54    HG2  LYS  12           2HG      LYS  12  -5.368   4.886  -0.520
   55    HG3  LYS  12           1HG      LYS  12  -4.912   3.475  -1.475
   56    HD2  LYS  12           2HD      LYS  12  -6.191   4.315  -3.362
   57    HD3  LYS  12           1HD      LYS  12  -6.725   5.701  -2.404
   58    HE2  LYS  12           2HE      LYS  12  -3.824   5.083  -2.892
   59    HE3  LYS  12           1HE      LYS  12  -4.763   6.089  -3.984
   60    HZ1  LYS  12           3HZ      LYS  12  -3.523   7.387  -2.338
   61    HZ2  LYS  12           1HZ      LYS  12  -4.376   6.633  -1.080
   62    HZ3  LYS  12           2HZ      LYS  12  -5.190   7.625  -2.193
   63    H    ASP  13           H        ASP  13  -7.644   4.205   1.849
   64    HA   ASP  13           HA       ASP  13  -5.504   5.592   2.897
   65    HB2  ASP  13           2HB      ASP  13  -7.832   6.262   3.239
   66    HB3  ASP  13           1HB      ASP  13  -8.125   4.843   4.237
   67    H    LYS  14           H        LYS  14  -7.040   2.702   4.296
   68    HA   LYS  14           HA       LYS  14  -5.235   2.468   6.437
   69    HB2  LYS  14           2HB      LYS  14  -7.547   1.441   6.200
   70    HB3  LYS  14           1HB      LYS  14  -6.801   0.234   5.162
   71    HG2  LYS  14           2HG      LYS  14  -5.603  -0.706   6.881
   72    HG3  LYS  14           1HG      LYS  14  -5.689   0.756   7.862
   73    HD2  LYS  14           2HD      LYS  14  -8.211  -0.683   7.190
   74    HD3  LYS  14           1HD      LYS  14  -7.158  -1.347   8.438
   75    HE2  LYS  14           2HE      LYS  14  -8.848   0.077   9.440
   76    HE3  LYS  14           1HE      LYS  14  -7.250   0.789   9.643
   77    HZ1  LYS  14           3HZ      LYS  14  -7.740   2.271   7.767
   78    HZ2  LYS  14           1HZ      LYS  14  -8.850   2.465   9.032
   79    HZ3  LYS  14           2HZ      LYS  14  -9.295   1.607   7.642
   80    H    TYR  15           H        TYR  15  -5.353   0.983   3.192
   81    HA   TYR  15           HA       TYR  15  -3.100  -0.644   3.434
   82    HB2  TYR  15           2HB      TYR  15  -4.450  -0.846   1.454
   83    HB3  TYR  15           1HB      TYR  15  -4.143   0.833   1.013
   84    HD1  TYR  15           2HD      TYR  15  -2.586  -2.498   1.352
   85    HD2  TYR  15           1HD      TYR  15  -2.163   1.461  -0.193
   86    HE1  TYR  15           2HE      TYR  15  -0.596  -3.202   0.092
   87    HE2  TYR  15           1HE      TYR  15  -0.173   0.751  -1.445
   88    HH   TYR  15           HH       TYR  15   0.696  -2.510  -1.842
   89    H    GLU  16           H        GLU  16  -3.366   2.759   2.518
   90    HA   GLU  16           HA       GLU  16  -0.754   3.321   2.011
   91    HB2  GLU  16           2HB      GLU  16  -3.078   4.841   3.105
   92    HB3  GLU  16           1HB      GLU  16  -1.568   5.629   2.779
   93    HG2  GLU  16           2HG      GLU  16  -1.795   4.629   0.457
   94    HG3  GLU  16           1HG      GLU  16  -3.455   4.316   0.899
   95    H    TRP  17           H        TRP  17  -2.435   3.086   5.194
   96    HA   TRP  17           HA       TRP  17  -0.039   3.803   6.595
   97    HB2  TRP  17           2HB      TRP  17  -1.908   3.998   7.993
   98    HB3  TRP  17           1HB      TRP  17  -2.570   2.482   7.452
   99    HD1  TRP  17           HD       TRP  17   0.654   3.442   9.286
  100    HE1  TRP  17           1HE      TRP  17   1.049   1.735  11.161
  101    HE3  TRP  17           3HE      TRP  17  -3.228   0.547   8.344
  102    HZ2  TRP  17           2HZ      TRP  17  -0.265  -0.582  12.138
  103    HZ3  TRP  17           3HZ      TRP  17  -3.676  -1.433   9.778
  104    HH2  TRP  17           HH       TRP  17  -2.183  -1.969  11.626
  105    H    LEU  18           H        LEU  18  -1.569   0.781   5.574
  106    HA   LEU  18           HA       LEU  18   0.037  -1.011   6.882
  107    HB2  LEU  18           2HB      LEU  18  -1.405  -1.058   4.267
  108    HB3  LEU  18           1HB      LEU  18  -0.214  -2.309   4.515
  109    HG   LEU  18           HG       LEU  18  -2.661  -2.870   5.061
  110   HD11  LEU  18          1HD1      LEU  18  -1.989  -4.225   6.987
  111   HD12  LEU  18          2HD1      LEU  18  -0.517  -3.266   7.162
  112   HD13  LEU  18          3HD1      LEU  18  -0.758  -4.259   5.723
  113   HD21  LEU  18          3HD2      LEU  18  -3.398  -2.232   7.289
  114   HD22  LEU  18          1HD2      LEU  18  -3.166  -0.815   6.268
  115   HD23  LEU  18          2HD2      LEU  18  -1.966  -1.224   7.493
  116    H    VAL  19           H        VAL  19   0.551   0.453   3.707
  117    HA   VAL  19           HA       VAL  19   3.080  -0.679   3.210
  118    HB   VAL  19           HB       VAL  19   1.420   0.522   1.613
  119   HG11  VAL  19          1HG1      VAL  19   3.114   2.864   2.407
  120   HG12  VAL  19          2HG1      VAL  19   1.374   2.686   2.628
  121   HG13  VAL  19          3HG1      VAL  19   2.047   2.803   1.002
  122   HG21  VAL  19          3HG2      VAL  19   4.405   0.793   1.332
  123   HG22  VAL  19          1HG2      VAL  19   3.251   0.972   0.010
  124   HG23  VAL  19          2HG2      VAL  19   3.411  -0.578   0.835
  125    H    SER  20           H        SER  20   2.111   2.326   4.791
  126    HA   SER  20           HA       SER  20   4.802   3.222   5.156
  127    HB2  SER  20           2HB      SER  20   3.837   4.955   6.538
  128    HB3  SER  20           1HB      SER  20   2.872   4.763   5.085
  129    HG   SER  20           HG       SER  20   1.883   3.140   6.940
  130    H    ARG  21           H        ARG  21   2.807   0.958   6.791
  131    HA   ARG  21           HA       ARG  21   4.100   1.225   9.300
  132    HB2  ARG  21           2HB      ARG  21   2.341   0.074  10.116
  133    HB3  ARG  21           1HB      ARG  21   1.596   0.390   8.564
  134    HG2  ARG  21           2HG      ARG  21   2.301  -1.653   7.760
  135    HG3  ARG  21           1HG      ARG  21   3.267  -1.984   9.161
  136    HD2  ARG  21           2HD      ARG  21   1.046  -1.804  10.461
  137    HD3  ARG  21           1HD      ARG  21   0.285  -1.999   8.884
  138    HE   ARG  21           HE       ARG  21   2.265  -4.009   9.588
  139   HH11  ARG  21          1HH1      ARG  21  -1.132  -3.139   9.605
  140   HH12  ARG  21          2HH1      ARG  21  -1.689  -4.779   9.730
  141   HH21  ARG  21          1HH2      ARG  21   1.541  -6.159   9.771
  142   HH22  ARG  21          2HH2      ARG  21  -0.160  -6.500   9.798
  143    H    ILE  22           H        ILE  22   4.492  -0.448   6.408
  144    HA   ILE  22           HA       ILE  22   6.487  -2.253   7.575
  145    HB   ILE  22           HB       ILE  22   5.554  -2.189   4.723
  146   HG12  ILE  22          2HG1      ILE  22   3.799  -2.538   6.608
  147   HG13  ILE  22          1HG1      ILE  22   3.820  -3.612   5.243
  148   HG21  ILE  22          1HG2      ILE  22   7.664  -3.352   5.201
  149   HG22  ILE  22          2HG2      ILE  22   6.388  -4.465   4.697
  150   HG23  ILE  22          3HG2      ILE  22   6.827  -4.341   6.397
  151   HD11  ILE  22          3HD1      ILE  22   4.977  -4.163   7.959
  152   HD12  ILE  22          1HD1      ILE  22   5.044  -5.266   6.585
  153   HD13  ILE  22          2HD1      ILE  22   3.489  -4.843   7.298
  154    H    VAL  23           H        VAL  23   6.247  -0.396   4.530
  155    HA   VAL  23           HA       VAL  23   9.010  -0.060   4.141
  156    HB   VAL  23           HB       VAL  23   6.727   1.646   3.166
  157   HG11  VAL  23          1HG1      VAL  23   8.236   2.170   1.302
  158   HG12  VAL  23          2HG1      VAL  23   9.507   1.218   2.068
  159   HG13  VAL  23          3HG1      VAL  23   8.910   2.686   2.848
  160   HG21  VAL  23          3HG2      VAL  23   7.984  -0.794   1.912
  161   HG22  VAL  23          1HG2      VAL  23   6.714   0.204   1.201
  162   HG23  VAL  23          2HG2      VAL  23   6.390  -0.726   2.666
  163    H    LYS  24           H        LYS  24  10.395   1.144   5.194
  164    HA   LYS  24           HA       LYS  24   9.393   3.377   6.827
  165    HB2  LYS  24           2HB      LYS  24   9.988   1.373   8.125
  166    HB3  LYS  24           1HB      LYS  24  11.598   1.478   7.461
  167    HG2  LYS  24           2HG      LYS  24  11.445   2.367   9.675
  168    HG3  LYS  24           1HG      LYS  24  12.010   3.541   8.505
  169    HD2  LYS  24           2HD      LYS  24   9.613   4.262   8.321
  170    HD3  LYS  24           1HD      LYS  24   9.313   3.325   9.789
  171    HE2  LYS  24           2HE      LYS  24  10.961   4.604  10.989
  172    HE3  LYS  24           1HE      LYS  24  11.396   5.463   9.513
  173    HZ1  LYS  24           3HZ      LYS  24   9.937   6.735  11.019
  174    HZ2  LYS  24           1HZ      LYS  24   8.720   5.576  10.803
  175    HZ3  LYS  24           2HZ      LYS  24   9.248   6.513   9.486
  176    H    ASN  25           H        ASN  25  12.332   2.053   5.335
  177    HA   ASN  25           HA       ASN  25  13.291   4.805   5.045
  178    HB2  ASN  25           2HB      ASN  25  15.532   3.832   4.750
  179    HB3  ASN  25           1HB      ASN  25  14.801   3.224   6.233
  180   HD21  ASN  25          1HD2      ASN  25  16.927   2.006   4.739
  181   HD22  ASN  25          2HD2      ASN  25  16.366   0.455   4.222
  182    H    HIS  26           H        HIS  26  11.400   3.184   3.362
  183    HA   HIS  26           HA       HIS  26  10.758   2.926   1.254
  184    HB2  HIS  26           2HB      HIS  26  11.196   4.589  -0.298
  185    HB3  HIS  26           1HB      HIS  26  11.397   5.393   1.223
  186    HD1  HIS  26           1HD      HIS  26  13.048   7.070   0.879
  187    HD2  HIS  26           2HD      HIS  26  14.157   3.593  -1.049
  188    HE1  HIS  26           1HE      HIS  26  15.331   7.521  -0.017
  189    HE2  HIS  26           2HE      HIS  26  15.873   5.501  -1.404
  190    H    ASN  27           H        ASN  27  13.915   2.128   2.081
  191    HA   ASN  27           HA       ASN  27  14.738   1.265  -0.546
  192    HB2  ASN  27           2HB      ASN  27  15.998   1.621   2.072
  193    HB3  ASN  27           1HB      ASN  27  16.569   0.230   1.176
  194   HD21  ASN  27          1HD2      ASN  27  16.358   3.686   1.232
  195   HD22  ASN  27          2HD2      ASN  27  17.508   3.923  -0.026
  196    H    GLU  28           H        GLU  28  12.426   0.110   0.338
  197    HA   GLU  28           HA       GLU  28  13.070  -2.652   0.984
  198    HB2  GLU  28           2HB      GLU  28  10.405  -1.280   0.588
  199    HB3  GLU  28           1HB      GLU  28  10.626  -2.948   1.083
  200    HG2  GLU  28           2HG      GLU  28  11.585  -0.574   2.657
  201    HG3  GLU  28           1HG      GLU  28  10.058  -1.408   2.918
  202    H    ASN  29           H        ASN  29  11.504  -4.176  -0.337
  203    HA   ASN  29           HA       ASN  29  11.569  -3.393  -3.181
  204    HB2  ASN  29           2HB      ASN  29  13.309  -5.092  -2.722
  205    HB3  ASN  29           1HB      ASN  29  12.088  -6.152  -2.025
  206   HD21  ASN  29          1HD2      ASN  29  12.349  -7.798  -3.463
  207   HD22  ASN  29          2HD2      ASN  29  11.937  -7.678  -5.140
  208    H    TRP  30           H        TRP  30   9.548  -3.253  -3.938
  209    HA   TRP  30           HA       TRP  30   7.251  -3.478  -2.532
  210    HB2  TRP  30           2HB      TRP  30   7.015  -2.442  -4.572
  211    HB3  TRP  30           1HB      TRP  30   7.768  -3.743  -5.454
  212    HD1  TRP  30           HD       TRP  30   6.189  -5.065  -6.762
  213    HE1  TRP  30           1HE      TRP  30   3.670  -5.645  -6.691
  214    HE3  TRP  30           3HE      TRP  30   5.039  -2.769  -2.397
  215    HZ2  TRP  30           2HZ      TRP  30   1.481  -5.168  -4.943
  216    HZ3  TRP  30           3HZ      TRP  30   2.741  -2.869  -1.579
  217    HH2  TRP  30           HH       TRP  30   0.991  -4.047  -2.814
  218    H    LEU  31           H        LEU  31   8.562  -6.119  -4.491
  219    HA   LEU  31           HA       LEU  31   6.428  -7.872  -4.090
  220    HB2  LEU  31           2HB      LEU  31   9.321  -8.329  -4.742
  221    HB3  LEU  31           1HB      LEU  31   8.091  -9.575  -4.805
  222    HG   LEU  31           HG       LEU  31   8.409  -8.811  -6.985
  223   HD11  LEU  31          1HD1      LEU  31   5.914  -7.551  -5.951
  224   HD12  LEU  31          2HD1      LEU  31   6.110  -9.232  -6.445
  225   HD13  LEU  31          3HD1      LEU  31   6.236  -7.943  -7.641
  226   HD21  LEU  31          3HD2      LEU  31   8.374  -6.599  -7.792
  227   HD22  LEU  31          1HD2      LEU  31   9.498  -6.657  -6.435
  228   HD23  LEU  31          2HD2      LEU  31   7.878  -5.983  -6.219
  229    H    SER  32           H        SER  32   9.602  -7.721  -2.535
  230    HA   SER  32           HA       SER  32   9.235  -9.522  -0.493
  231    HB2  SER  32           2HB      SER  32  10.694  -6.935  -0.206
  232    HB3  SER  32           1HB      SER  32  11.019  -8.427   0.643
  233    HG   SER  32           HG       SER  32  12.132  -9.127  -0.994
  234    H    VAL  33           H        VAL  33   8.548  -5.985  -0.316
  235    HA   VAL  33           HA       VAL  33   7.489  -6.131   2.277
  236    HB   VAL  33           HB       VAL  33   6.219  -3.927   1.406
  237   HG11  VAL  33          1HG1      VAL  33   7.995  -4.147   3.150
  238   HG12  VAL  33          2HG1      VAL  33   8.094  -2.668   2.198
  239   HG13  VAL  33          3HG1      VAL  33   9.194  -4.007   1.866
  240   HG21  VAL  33          3HG2      VAL  33   8.564  -4.143  -0.421
  241   HG22  VAL  33          1HG2      VAL  33   7.450  -2.785  -0.260
  242   HG23  VAL  33          2HG2      VAL  33   6.878  -4.327  -0.903
  243    H    SER  34           H        SER  34   6.152  -7.001  -0.761
  244    HA   SER  34           HA       SER  34   3.411  -6.941   0.083
  245    HB2  SER  34           2HB      SER  34   4.778  -8.349  -2.217
  246    HB3  SER  34           1HB      SER  34   3.035  -8.339  -1.961
  247    HG   SER  34           HG       SER  34   4.733  -6.115  -2.421
  248    H    ARG  35           H        ARG  35   5.946  -9.480  -0.013
  249    HA   ARG  35           HA       ARG  35   4.419 -11.627   0.891
  250    HB2  ARG  35           2HB      ARG  35   7.057 -11.200   2.069
  251    HB3  ARG  35           1HB      ARG  35   6.345 -12.658   1.441
  252    HG2  ARG  35           2HG      ARG  35   6.618 -11.618  -0.797
  253    HG3  ARG  35           1HG      ARG  35   7.625 -10.410  -0.022
  254    HD2  ARG  35           2HD      ARG  35   9.004 -12.135   0.917
  255    HD3  ARG  35           1HD      ARG  35   7.940 -13.327   0.197
  256    HE   ARG  35           HE       ARG  35   9.179 -11.529  -1.694
  257   HH11  ARG  35          1HH1      ARG  35   9.295 -14.665  -0.165
  258   HH12  ARG  35          2HH1      ARG  35  10.609 -15.248  -1.140
  259   HH21  ARG  35          1HH2      ARG  35  10.928 -12.273  -2.985
  260   HH22  ARG  35          2HH2      ARG  35  11.550 -13.875  -2.737
  261    H    LYS  36           H        LYS  36   6.248  -9.246   2.662
  262    HA   LYS  36           HA       LYS  36   5.532  -9.714   5.263
  263    HB2  LYS  36           2HB      LYS  36   5.770  -6.995   3.992
  264    HB3  LYS  36           1HB      LYS  36   6.115  -7.427   5.648
  265    HG2  LYS  36           2HG      LYS  36   7.885  -8.906   4.783
  266    HG3  LYS  36           1HG      LYS  36   7.644  -8.200   3.216
  267    HD2  LYS  36           2HD      LYS  36   8.118  -6.014   4.222
  268    HD3  LYS  36           1HD      LYS  36   8.501  -6.807   5.739
  269    HE2  LYS  36           2HE      LYS  36  10.258  -8.095   4.548
  270    HE3  LYS  36           1HE      LYS  36   9.915  -7.157   3.097
  271    HZ1  LYS  36           3HZ      LYS  36  10.527  -5.143   4.335
  272    HZ2  LYS  36           1HZ      LYS  36  11.811  -6.248   4.249
  273    HZ3  LYS  36           2HZ      LYS  36  10.920  -6.088   5.683
  274    H    MET  37           H        MET  37   4.104  -7.324   3.171
  275    HA   MET  37           HA       MET  37   1.944  -6.623   4.774
  276    HB2  MET  37           2HB      MET  37   2.762  -6.168   1.987
  277    HB3  MET  37           1HB      MET  37   1.055  -5.930   2.314
  278    HG2  MET  37           2HG      MET  37   1.800  -4.470   4.255
  279    HG3  MET  37           1HG      MET  37   3.405  -4.541   3.547
  280    HE1  MET  37           3HE      MET  37   3.040  -2.675   0.199
  281    HE2  MET  37           1HE      MET  37   2.911  -4.421   0.416
  282    HE3  MET  37           2HE      MET  37   4.111  -3.505   1.328
  283    H    GLN  38           H        GLN  38   2.123  -9.296   2.483
  284    HA   GLN  38           HA       GLN  38  -0.644  -9.490   1.976
  285    HB2  GLN  38           2HB      GLN  38  -0.204 -11.616   1.031
  286    HB3  GLN  38           1HB      GLN  38   1.124 -10.569   0.596
  287    HG2  GLN  38           2HG      GLN  38   2.449 -11.592   2.419
  288    HG3  GLN  38           1HG      GLN  38   1.117 -12.700   2.706
  289   HE21  GLN  38          1HE2      GLN  38   1.951 -11.655  -0.474
  290   HE22  GLN  38          2HE2      GLN  38   2.567 -13.172  -1.007
  291    H    ALA  39           H        ALA  39   1.244 -10.422   4.640
  292    HA   ALA  39           HA       ALA  39  -0.600 -12.281   5.785
  293    HB1  ALA  39           1HB      ALA  39   0.731 -12.067   7.807
  294    HB2  ALA  39           2HB      ALA  39   1.558 -10.664   7.132
  295    HB3  ALA  39           3HB      ALA  39   1.775 -12.252   6.397
  296    H    SER  40           H        SER  40  -1.248  -9.289   5.013
  297    HA   SER  40           HA       SER  40  -2.923  -8.817   7.360
  298    HB2  SER  40           2HB      SER  40  -1.501  -6.682   5.753
  299    HB3  SER  40           1HB      SER  40  -2.528  -6.427   7.158
  300    HG   SER  40           HG       SER  40  -0.138  -7.952   7.174
  301    HA   PRO  41           HA       PRO  41  -6.205  -9.059   4.401
  302    HB2  PRO  41           2HB      PRO  41  -7.974  -7.634   5.999
  303    HB3  PRO  41           1HB      PRO  41  -7.735  -9.366   6.029
  304    HG2  PRO  41           2HG      PRO  41  -6.692  -7.315   7.821
  305    HG3  PRO  41           1HG      PRO  41  -7.123  -8.979   8.162
  306    HD2  PRO  41           2HD      PRO  41  -4.558  -8.162   7.986
  307    HD3  PRO  41           1HD      PRO  41  -5.068  -9.791   7.503
  308    H    GLU  42           H        GLU  42  -5.203  -6.140   5.931
  309    HA   GLU  42           HA       GLU  42  -6.608  -4.319   4.392
  310    HB2  GLU  42           2HB      GLU  42  -3.875  -4.048   5.597
  311    HB3  GLU  42           1HB      GLU  42  -4.791  -2.708   4.926
  312    HG2  GLU  42           2HG      GLU  42  -5.016  -2.666   7.293
  313    HG3  GLU  42           1HG      GLU  42  -6.556  -3.151   6.598
  314    H    TYR  43           H        TYR  43  -3.349  -5.551   3.859
  315    HA   TYR  43           HA       TYR  43  -2.876  -4.387   1.367
  316    HB2  TYR  43           2HB      TYR  43  -1.036  -5.355   2.482
  317    HB3  TYR  43           1HB      TYR  43  -1.869  -6.884   2.716
  318    HD1  TYR  43           1HD      TYR  43  -0.034  -4.789   0.312
  319    HD2  TYR  43           2HD      TYR  43  -1.898  -8.566   0.986
  320    HE1  TYR  43           1HE      TYR  43   1.058  -5.683  -1.704
  321    HE2  TYR  43           2HE      TYR  43  -0.798  -9.471  -1.022
  322    HH   TYR  43           HH       TYR  43   1.677  -7.717  -2.717
  323    H    GLN  44           H        GLN  44  -4.254  -7.527   2.226
  324    HA   GLN  44           HA       GLN  44  -4.627  -8.602  -0.310
  325    HB2  GLN  44           2HB      GLN  44  -6.329  -8.915   2.165
  326    HB3  GLN  44           1HB      GLN  44  -6.434  -9.945   0.744
  327    HG2  GLN  44           2HG      GLN  44  -3.984  -9.565   2.401
  328    HG3  GLN  44           1HG      GLN  44  -5.111 -10.901   2.599
  329   HE21  GLN  44          1HE2      GLN  44  -2.350 -11.123   1.956
  330   HE22  GLN  44          2HE2      GLN  44  -2.237 -11.867   0.393
  331    H    ASP  45           H        ASP  45  -6.926  -6.820   1.670
  332    HA   ASP  45           HA       ASP  45  -9.087  -6.943  -0.084
  333    HB2  ASP  45           2HB      ASP  45  -9.101  -6.221   2.352
  334    HB3  ASP  45           1HB      ASP  45  -8.602  -4.631   1.782
  335    H    TYR  46           H        TYR  46  -6.675  -4.373   0.243
  336    HA   TYR  46           HA       TYR  46  -7.855  -2.718  -1.740
  337    HB2  TYR  46           2HB      TYR  46  -6.365  -1.749  -0.072
  338    HB3  TYR  46           1HB      TYR  46  -5.026  -2.712  -0.688
  339    HD1  TYR  46           2HD      TYR  46  -7.462  -0.086  -1.708
  340    HD2  TYR  46           1HD      TYR  46  -3.649  -1.856  -2.378
  341    HE1  TYR  46           2HE      TYR  46  -6.919   1.701  -3.306
  342    HE2  TYR  46           1HE      TYR  46  -3.100  -0.076  -3.984
  343    HH   TYR  46           HH       TYR  46  -4.287   1.532  -5.429
  344    H    VAL  47           H        VAL  47  -5.402  -5.207  -1.879
  345    HA   VAL  47           HA       VAL  47  -4.824  -4.604  -4.602
  346    HB   VAL  47           HB       VAL  47  -4.075  -6.989  -2.914
  347   HG11  VAL  47          1HG1      VAL  47  -4.095  -7.690  -5.229
  348   HG12  VAL  47          2HG1      VAL  47  -2.432  -7.537  -4.665
  349   HG13  VAL  47          3HG1      VAL  47  -3.135  -6.284  -5.687
  350   HG21  VAL  47          3HG2      VAL  47  -2.456  -4.627  -3.847
  351   HG22  VAL  47          1HG2      VAL  47  -1.857  -5.975  -2.878
  352   HG23  VAL  47          2HG2      VAL  47  -3.071  -4.880  -2.214
  353    H    TYR  48           H        TYR  48  -7.109  -6.510  -2.924
  354    HA   TYR  48           HA       TYR  48  -7.926  -8.230  -5.026
  355    HB2  TYR  48           2HB      TYR  48  -8.601  -8.913  -2.931
  356    HB3  TYR  48           1HB      TYR  48  -8.975  -7.291  -2.397
  357    HD1  TYR  48           1HD      TYR  48 -10.204 -10.125  -4.408
  358    HD2  TYR  48           2HD      TYR  48 -11.085  -6.391  -2.616
  359    HE1  TYR  48           1HE      TYR  48 -12.613 -10.530  -4.788
  360    HE2  TYR  48           2HE      TYR  48 -13.498  -6.769  -2.976
  361    HH   TYR  48           HH       TYR  48 -14.912  -8.155  -4.620
  362    H    LEU  49           H        LEU  49  -9.241  -5.231  -3.684
  363    HA   LEU  49           HA       LEU  49 -11.274  -4.771  -5.543
  364    HB2  LEU  49           2HB      LEU  49  -9.606  -2.598  -4.307
  365    HB3  LEU  49           1HB      LEU  49 -11.271  -2.488  -4.833
  366    HG   LEU  49           HG       LEU  49 -10.310  -4.157  -2.534
  367   HD11  LEU  49          1HD1      LEU  49 -11.576  -1.424  -2.566
  368   HD12  LEU  49          2HD1      LEU  49  -9.939  -1.825  -2.047
  369   HD13  LEU  49          3HD1      LEU  49 -11.324  -2.402  -1.120
  370   HD21  LEU  49          3HD2      LEU  49 -13.091  -3.325  -3.371
  371   HD22  LEU  49          1HD2      LEU  49 -12.682  -4.266  -1.936
  372   HD23  LEU  49          2HD2      LEU  49 -12.406  -4.942  -3.544
  373    H    GLU  50           H        GLU  50  -8.169  -3.094  -5.420
  374    HA   GLU  50           HA       GLU  50  -8.564  -2.212  -8.162
  375    HB2  GLU  50           2HB      GLU  50  -6.487  -1.516  -6.096
  376    HB3  GLU  50           1HB      GLU  50  -6.482  -0.868  -7.733
  377    HG2  GLU  50           2HG      GLU  50  -8.674  -0.538  -5.702
  378    HG3  GLU  50           1HG      GLU  50  -7.507   0.689  -6.183
  379    H    GLY  51           H        GLY  51  -5.636  -3.443  -6.535
  380    HA2  GLY  51           2HA      GLY  51  -5.086  -5.687  -7.870
  381    HA3  GLY  51           1HA      GLY  51  -4.743  -4.481  -9.100
  382    H    THR  52           H        THR  52  -2.758  -6.099  -8.408
  383    HA   THR  52           HA       THR  52  -1.189  -5.253  -6.212
  384    HB   THR  52           HB       THR  52   0.183  -6.519  -8.502
  385    HG1  THR  52           1HG      THR  52  -1.524  -8.249  -7.120
  386   HG21  THR  52          3HG2      THR  52  -0.145  -7.258  -5.590
  387   HG22  THR  52          1HG2      THR  52   1.205  -6.360  -6.282
  388   HG23  THR  52          2HG2      THR  52   0.943  -8.044  -6.734
  389    H    GLN  53           H        GLN  53  -1.449  -4.196  -9.532
  390    HA   GLN  53           HA       GLN  53   1.103  -2.928  -9.677
  391    HB2  GLN  53           2HB      GLN  53  -1.330  -2.276 -11.326
  392    HB3  GLN  53           1HB      GLN  53   0.345  -1.990 -11.755
  393    HG2  GLN  53           2HG      GLN  53   0.607  -4.487 -11.636
  394    HG3  GLN  53           1HG      GLN  53  -1.142  -4.577 -11.605
  395   HE21  GLN  53          1HE2      GLN  53  -2.311  -3.933 -13.415
  396   HE22  GLN  53          2HE2      GLN  53  -1.584  -3.782 -14.975
  397    H    LYS  54           H        LYS  54  -2.180  -1.781  -9.112
  398    HA   LYS  54           HA       LYS  54  -1.539   0.926  -8.751
  399    HB2  LYS  54           2HB      LYS  54  -3.806  -0.682  -7.818
  400    HB3  LYS  54           1HB      LYS  54  -3.694   1.030  -7.520
  401    HG2  LYS  54           2HG      LYS  54  -3.220   1.079 -10.084
  402    HG3  LYS  54           1HG      LYS  54  -4.122  -0.421 -10.015
  403    HD2  LYS  54           2HD      LYS  54  -5.836   0.839  -8.677
  404    HD3  LYS  54           1HD      LYS  54  -5.011   2.305  -9.179
  405    HE2  LYS  54           2HE      LYS  54  -5.402   1.778 -11.506
  406    HE3  LYS  54           1HE      LYS  54  -6.143   0.240 -11.062
  407    HZ1  LYS  54           3HZ      LYS  54  -7.184   2.941 -10.399
  408    HZ2  LYS  54           1HZ      LYS  54  -7.881   1.480  -9.896
  409    HZ3  LYS  54           2HZ      LYS  54  -7.828   1.873 -11.549
  410    H    ALA  55           H        ALA  55  -1.720  -1.732  -6.491
  411    HA   ALA  55           HA       ALA  55  -1.119  -0.202  -4.150
  412    HB1  ALA  55           1HB      ALA  55  -2.118  -2.447  -4.045
  413    HB2  ALA  55           2HB      ALA  55  -0.621  -2.361  -3.119
  414    HB3  ALA  55           3HB      ALA  55  -0.635  -3.142  -4.701
  415    H    LYS  56           H        LYS  56   0.911  -1.997  -6.498
  416    HA   LYS  56           HA       LYS  56   3.368  -1.457  -5.333
  417    HB2  LYS  56           2HB      LYS  56   2.910  -2.999  -7.259
  418    HB3  LYS  56           1HB      LYS  56   2.792  -1.586  -8.296
  419    HG2  LYS  56           2HG      LYS  56   5.068  -0.990  -7.822
  420    HG3  LYS  56           1HG      LYS  56   5.164  -2.310  -6.654
  421    HD2  LYS  56           2HD      LYS  56   4.665  -3.890  -8.513
  422    HD3  LYS  56           1HD      LYS  56   4.812  -2.549  -9.626
  423    HE2  LYS  56           2HE      LYS  56   7.117  -2.178  -8.909
  424    HE3  LYS  56           1HE      LYS  56   6.976  -3.524  -7.778
  425    HZ1  LYS  56           3HZ      LYS  56   6.549  -4.985  -9.701
  426    HZ2  LYS  56           1HZ      LYS  56   8.081  -4.255  -9.766
  427    HZ3  LYS  56           2HZ      LYS  56   6.821  -3.674 -10.740
  428    H    LYS  57           H        LYS  57   1.630   0.394  -7.855
  429    HA   LYS  57           HA       LYS  57   3.270   2.568  -8.084
  430    HB2  LYS  57           2HB      LYS  57   1.164   1.833  -9.336
  431    HB3  LYS  57           1HB      LYS  57   0.252   2.613  -8.056
  432    HG2  LYS  57           2HG      LYS  57   0.371   4.251  -9.596
  433    HG3  LYS  57           1HG      LYS  57   1.762   4.596  -8.582
  434    HD2  LYS  57           2HD      LYS  57   2.354   4.742 -10.917
  435    HD3  LYS  57           1HD      LYS  57   3.216   3.429 -10.147
  436    HE2  LYS  57           2HE      LYS  57   1.645   1.877 -11.031
  437    HE3  LYS  57           1HE      LYS  57   0.684   3.157 -11.739
  438    HZ1  LYS  57           3HZ      LYS  57   2.198   1.951 -13.301
  439    HZ2  LYS  57           1HZ      LYS  57   3.506   2.649 -12.489
  440    HZ3  LYS  57           2HZ      LYS  57   2.386   3.633 -13.292
  441    H    LEU  58           H        LEU  58   0.698   1.888  -5.749
  442    HA   LEU  58           HA       LEU  58   0.769   4.330  -4.352
  443    HB2  LEU  58           2HB      LEU  58  -1.031   2.556  -4.262
  444    HB3  LEU  58           1HB      LEU  58   0.043   1.602  -3.274
  445    HG   LEU  58           HG       LEU  58  -0.315   2.853  -1.430
  446   HD11  LEU  58          1HD1      LEU  58  -1.026   5.210  -3.190
  447   HD12  LEU  58          2HD1      LEU  58   0.498   4.983  -2.328
  448   HD13  LEU  58          3HD1      LEU  58  -0.998   5.228  -1.426
  449   HD21  LEU  58          3HD2      LEU  58  -2.664   3.421  -1.257
  450   HD22  LEU  58          1HD2      LEU  58  -2.457   1.932  -2.180
  451   HD23  LEU  58          2HD2      LEU  58  -2.805   3.449  -3.015
  452    H    PHE  59           H        PHE  59   2.365   1.216  -3.732
  453    HA   PHE  59           HA       PHE  59   4.036   1.823  -1.630
  454    HB2  PHE  59           2HB      PHE  59   4.021  -0.401  -2.504
  455    HB3  PHE  59           1HB      PHE  59   4.481   0.146  -4.108
  456    HD1  PHE  59           1HD      PHE  59   5.794   0.162  -0.618
  457    HD2  PHE  59           2HD      PHE  59   6.671  -0.193  -4.775
  458    HE1  PHE  59           1HE      PHE  59   8.146  -0.316  -0.086
  459    HE2  PHE  59           2HE      PHE  59   9.021  -0.654  -4.239
  460    HZ   PHE  59           HZ       PHE  59   9.760  -0.720  -1.894
  461    H    LEU  60           H        LEU  60   4.752   2.283  -5.078
  462    HA   LEU  60           HA       LEU  60   7.217   3.514  -4.934
  463    HB2  LEU  60           2HB      LEU  60   4.948   3.649  -6.851
  464    HB3  LEU  60           1HB      LEU  60   6.233   4.807  -7.028
  465    HG   LEU  60           HG       LEU  60   6.447   2.905  -8.476
  466   HD11  LEU  60          1HD1      LEU  60   8.610   2.896  -6.384
  467   HD12  LEU  60          2HD1      LEU  60   8.446   4.125  -7.638
  468   HD13  LEU  60          3HD1      LEU  60   8.783   2.452  -8.083
  469   HD21  LEU  60          3HD2      LEU  60   5.448   1.168  -7.157
  470   HD22  LEU  60          1HD2      LEU  60   6.742   1.290  -5.965
  471   HD23  LEU  60          2HD2      LEU  60   7.093   0.706  -7.594
  472    H    GLN  61           H        GLN  61   4.057   5.096  -5.008
  473    HA   GLN  61           HA       GLN  61   4.756   7.732  -4.728
  474    HB2  GLN  61           2HB      GLN  61   2.509   6.290  -3.354
  475    HB3  GLN  61           1HB      GLN  61   2.635   8.030  -3.541
  476    HG2  GLN  61           2HG      GLN  61   2.573   6.132  -5.844
  477    HG3  GLN  61           1HG      GLN  61   1.165   6.867  -5.130
  478   HE21  GLN  61          1HE2      GLN  61   2.117   7.120  -7.792
  479   HE22  GLN  61          2HE2      GLN  61   2.390   8.798  -8.040
  480    H    HIS  62           H        HIS  62   3.837   5.659  -2.000
  481    HA   HIS  62           HA       HIS  62   4.744   7.366   0.020
  482    HB2  HIS  62           2HB      HIS  62   3.443   5.164   0.339
  483    HB3  HIS  62           1HB      HIS  62   5.009   4.359   0.283
  484    HD1  HIS  62           1HD      HIS  62   6.373   4.331   2.493
  485    HD2  HIS  62           2HD      HIS  62   3.213   7.060   2.514
  486    HE1  HIS  62           1HE      HIS  62   6.257   5.225   4.819
  487    HE2  HIS  62           2HE      HIS  62   4.519   7.046   4.743
  488    H    ILE  63           H        ILE  63   6.587   5.065  -1.932
  489    HA   ILE  63           HA       ILE  63   8.990   5.201  -0.534
  490    HB   ILE  63           HB       ILE  63   8.563   4.925  -3.485
  491   HG12  ILE  63          2HG1      ILE  63   7.667   3.067  -2.310
  492   HG13  ILE  63          1HG1      ILE  63   9.238   2.578  -2.899
  493   HG21  ILE  63          1HG2      ILE  63  11.075   4.859  -1.830
  494   HG22  ILE  63          2HG2      ILE  63  10.760   5.737  -3.329
  495   HG23  ILE  63          3HG2      ILE  63  10.950   3.984  -3.360
  496   HD11  ILE  63          3HD1      ILE  63  10.215   2.906  -0.728
  497   HD12  ILE  63          1HD1      ILE  63   8.847   1.796  -0.646
  498   HD13  ILE  63          2HD1      ILE  63   8.659   3.465  -0.109
  499    H    HIS  64           H        HIS  64   7.651   7.309  -3.008
  500    HA   HIS  64           HA       HIS  64   9.826   9.118  -3.216
  501    HB2  HIS  64           2HB      HIS  64   8.145   9.230  -4.894
  502    HB3  HIS  64           1HB      HIS  64   6.867   9.276  -3.730
  503    HD1  HIS  64           1HD      HIS  64   7.323  11.461  -2.132
  504    HD2  HIS  64           2HD      HIS  64   8.255  11.674  -6.134
  505    HE1  HIS  64           1HE      HIS  64   7.388  13.936  -2.662
  506    HE2  HIS  64           2HE      HIS  64   7.658  14.020  -5.175
  507    H    ARG  65           H        ARG  65   6.934   9.060  -1.313
  508    HA   ARG  65           HA       ARG  65   7.199  11.474   0.005
  509    HB2  ARG  65           2HB      ARG  65   5.819   9.009   0.856
  510    HB3  ARG  65           1HB      ARG  65   5.464  10.620   1.389
  511    HG2  ARG  65           2HG      ARG  65   5.257   9.709  -1.445
  512    HG3  ARG  65           1HG      ARG  65   3.930   9.806  -0.317
  513    HD2  ARG  65           2HD      ARG  65   5.555  12.217  -0.581
  514    HD3  ARG  65           1HD      ARG  65   4.603  11.775  -1.982
  515    HE   ARG  65           HE       ARG  65   2.824  11.608   0.057
  516   HH11  ARG  65          1HH1      ARG  65   4.958  14.177  -1.078
  517   HH12  ARG  65          2HH1      ARG  65   3.886  15.436  -0.553
  518   HH21  ARG  65          1HH2      ARG  65   1.441  13.279   0.697
  519   HH22  ARG  65          2HH2      ARG  65   1.911  14.936   0.461
  520    H    LEU  66           H        LEU  66   8.052   8.213   1.029
  521    HA   LEU  66           HA       LEU  66   9.415   8.434   3.321
  522    HB2  LEU  66           2HB      LEU  66   9.744   6.958   0.861
  523    HB3  LEU  66           1HB      LEU  66  11.277   7.252   1.641
  524    HG   LEU  66           HG       LEU  66  10.850   5.354   2.626
  525   HD11  LEU  66          1HD1      LEU  66   9.403   7.333   4.193
  526   HD12  LEU  66          2HD1      LEU  66  10.778   6.305   4.615
  527   HD13  LEU  66          3HD1      LEU  66   9.137   5.633   4.579
  528   HD21  LEU  66          3HD2      LEU  66   9.012   4.706   1.334
  529   HD22  LEU  66          1HD2      LEU  66   7.952   5.796   2.238
  530   HD23  LEU  66          2HD2      LEU  66   8.668   4.386   3.041
  531    H    LYS  67           H        LYS  67  11.148   8.630   0.369
  532    HA   LYS  67           HA       LYS  67  13.533   9.741   1.092
  533    HB2  LYS  67           2HB      LYS  67  12.259  10.428  -1.526
  534    HB3  LYS  67           1HB      LYS  67  13.938  10.099  -1.215
  535    HG2  LYS  67           2HG      LYS  67  13.333   7.785  -0.799
  536    HG3  LYS  67           1HG      LYS  67  11.668   8.146  -1.185
  537    HD2  LYS  67           2HD      LYS  67  13.871   8.676  -3.136
  538    HD3  LYS  67           1HD      LYS  67  13.137   7.088  -2.942
  539    HE2  LYS  67           2HE      LYS  67  11.008   7.871  -3.589
  540    HE3  LYS  67           1HE      LYS  67  11.502   9.557  -3.473
  541    HZ1  LYS  67           3HZ      LYS  67  12.476   7.564  -5.465
  542    HZ2  LYS  67           1HZ      LYS  67  13.014   9.172  -5.357
  543    HZ3  LYS  67           2HZ      LYS  67  11.403   8.841  -5.771
  544    H    HIS  68           H        HIS  68  10.858  11.507  -0.369
  545    HA   HIS  68           HA       HIS  68  11.493  13.896   1.016
  546    HB2  HIS  68           2HB      HIS  68  11.747  15.201  -1.108
  547    HB3  HIS  68           1HB      HIS  68  13.094  14.168  -0.706
  548    HD1  HIS  68           1HD      HIS  68  10.453  12.206  -2.070
  549    HD2  HIS  68           2HD      HIS  68  13.514  14.534  -3.615
  550    HE1  HIS  68           1HE      HIS  68  10.764  11.421  -4.458
  551    HE2  HIS  68           2HE      HIS  68  12.463  13.015  -5.429
  552    H    GLU  69           H        GLU  69   9.450  13.637   1.811
  553    HA   GLU  69           HA       GLU  69   7.198  12.944   0.345
  554    HB2  GLU  69           2HB      GLU  69   7.672  13.236   2.945
  555    HB3  GLU  69           1HB      GLU  69   6.876  14.779   2.657
  556    HG2  GLU  69           2HG      GLU  69   5.051  13.402   1.513
  557    HG3  GLU  69           1HG      GLU  69   5.796  12.019   2.309
  Start of MODEL   13
    1    H    SER   5           H        SER   5 -18.995   4.294  -3.688
    2    HA   SER   5           HA       SER   5 -18.033   1.861  -2.485
    3    HB2  SER   5           2HB      SER   5 -16.912   3.487  -4.782
    4    HB3  SER   5           1HB      SER   5 -16.433   1.846  -4.350
    5    HG   SER   5           HG       SER   5 -18.746   1.320  -4.656
    6    H    GLN   6           H        GLN   6 -17.840   3.745  -0.584
    7    HA   GLN   6           HA       GLN   6 -15.431   5.217  -0.490
    8    HB2  GLN   6           2HB      GLN   6 -15.933   5.489   1.897
    9    HB3  GLN   6           1HB      GLN   6 -17.353   5.774   0.901
   10    HG2  GLN   6           2HG      GLN   6 -18.022   3.390   1.393
   11    HG3  GLN   6           1HG      GLN   6 -16.733   3.375   2.596
   12   HE21  GLN   6          1HE2      GLN   6 -16.939   4.637   4.450
   13   HE22  GLN   6          2HE2      GLN   6 -18.453   5.325   4.928
   14    H    GLN   7           H        GLN   7 -16.098   1.912  -0.043
   15    HA   GLN   7           HA       GLN   7 -14.123   1.082   1.733
   16    HB2  GLN   7           2HB      GLN   7 -15.875  -0.370   0.804
   17    HB3  GLN   7           1HB      GLN   7 -15.059  -0.357  -0.742
   18    HG2  GLN   7           2HG      GLN   7 -14.619  -2.362   0.541
   19    HG3  GLN   7           1HG      GLN   7 -13.174  -1.436   0.231
   20   HE21  GLN   7          1HE2      GLN   7 -12.059  -2.380   1.921
   21   HE22  GLN   7          2HE2      GLN   7 -12.420  -2.007   3.571
   22    H    ILE   8           H        ILE   8 -13.930   1.915  -1.662
   23    HA   ILE   8           HA       ILE   8 -11.320   0.921  -2.110
   24    HB   ILE   8           HB       ILE   8 -12.715   3.143  -3.608
   25   HG12  ILE   8          2HG1      ILE   8 -12.730   0.170  -4.138
   26   HG13  ILE   8          1HG1      ILE   8 -14.071   1.087  -3.480
   27   HG21  ILE   8          1HG2      ILE   8 -11.307   2.452  -5.477
   28   HG22  ILE   8          2HG2      ILE   8 -10.522   1.262  -4.443
   29   HG23  ILE   8          3HG2      ILE   8 -10.339   2.984  -4.103
   30   HD11  ILE   8          3HD1      ILE   8 -12.864   1.461  -6.204
   31   HD12  ILE   8          1HD1      ILE   8 -14.226   2.366  -5.544
   32   HD13  ILE   8          2HD1      ILE   8 -14.381   0.635  -5.845
   33    H    ALA   9           H        ALA   9 -12.527   3.727  -0.603
   34    HA   ALA   9           HA       ALA   9 -10.063   5.224  -0.915
   35    HB1  ALA   9           1HB      ALA   9 -11.216   7.027   0.239
   36    HB2  ALA   9           2HB      ALA   9 -12.581   5.956   0.559
   37    HB3  ALA   9           3HB      ALA   9 -12.189   6.414  -1.099
   38    H    THR  10           H        THR  10 -11.914   3.686   1.631
   39    HA   THR  10           HA       THR  10 -10.087   4.435   3.692
   40    HB   THR  10           HB       THR  10 -11.461   2.792   5.053
   41    HG1  THR  10           1HG      THR  10 -13.613   2.538   3.872
   42   HG21  THR  10          3HG2      THR  10 -12.930   5.051   3.702
   43   HG22  THR  10          1HG2      THR  10 -11.764   5.253   5.010
   44   HG23  THR  10          2HG2      THR  10 -13.269   4.375   5.296
   45    H    ALA  11           H        ALA  11 -10.751   1.444   1.878
   46    HA   ALA  11           HA       ALA  11  -8.821  -0.127   3.205
   47    HB1  ALA  11           1HB      ALA  11  -9.752  -0.348   0.341
   48    HB2  ALA  11           2HB      ALA  11 -10.515  -1.111   1.736
   49    HB3  ALA  11           3HB      ALA  11  -8.888  -1.589   1.250
   50    H    LYS  12           H        LYS  12  -8.650   2.101   0.482
   51    HA   LYS  12           HA       LYS  12  -5.918   1.694  -0.117
   52    HB2  LYS  12           2HB      LYS  12  -7.525   2.868  -1.621
   53    HB3  LYS  12           1HB      LYS  12  -7.543   4.217  -0.495
   54    HG2  LYS  12           2HG      LYS  12  -5.272   4.725  -0.925
   55    HG3  LYS  12           1HG      LYS  12  -5.034   3.219  -1.811
   56    HD2  LYS  12           2HD      LYS  12  -6.648   4.012  -3.509
   57    HD3  LYS  12           1HD      LYS  12  -6.766   5.546  -2.642
   58    HE2  LYS  12           2HE      LYS  12  -4.430   5.993  -3.022
   59    HE3  LYS  12           1HE      LYS  12  -4.206   4.401  -3.747
   60    HZ1  LYS  12           3HZ      LYS  12  -5.648   5.030  -5.554
   61    HZ2  LYS  12           1HZ      LYS  12  -4.399   6.166  -5.406
   62    HZ3  LYS  12           2HZ      LYS  12  -5.954   6.539  -4.844
   63    H    ASP  13           H        ASP  13  -7.557   4.213   1.769
   64    HA   ASP  13           HA       ASP  13  -5.384   5.619   2.761
   65    HB2  ASP  13           2HB      ASP  13  -7.684   6.356   3.075
   66    HB3  ASP  13           1HB      ASP  13  -8.067   4.939   4.041
   67    H    LYS  14           H        LYS  14  -6.856   2.674   4.156
   68    HA   LYS  14           HA       LYS  14  -5.035   2.662   6.336
   69    HB2  LYS  14           2HB      LYS  14  -7.298   1.687   6.447
   70    HB3  LYS  14           1HB      LYS  14  -6.811   0.465   5.276
   71    HG2  LYS  14           2HG      LYS  14  -5.229  -0.432   6.761
   72    HG3  LYS  14           1HG      LYS  14  -5.466   0.872   7.922
   73    HD2  LYS  14           2HD      LYS  14  -7.835   0.134   8.141
   74    HD3  LYS  14           1HD      LYS  14  -7.442  -1.259   7.132
   75    HE2  LYS  14           2HE      LYS  14  -5.687  -1.877   8.783
   76    HE3  LYS  14           1HE      LYS  14  -6.264  -0.569   9.816
   77    HZ1  LYS  14           3HZ      LYS  14  -7.910  -2.855   8.885
   78    HZ2  LYS  14           1HZ      LYS  14  -8.405  -1.634   9.954
   79    HZ3  LYS  14           2HZ      LYS  14  -7.196  -2.732  10.420
   80    H    TYR  15           H        TYR  15  -5.261   1.016   3.208
   81    HA   TYR  15           HA       TYR  15  -2.975  -0.583   3.368
   82    HB2  TYR  15           2HB      TYR  15  -4.518  -0.708   1.479
   83    HB3  TYR  15           1HB      TYR  15  -4.096   0.933   0.998
   84    HD1  TYR  15           1HD      TYR  15  -3.020  -2.547   1.080
   85    HD2  TYR  15           2HD      TYR  15  -1.959   1.420  -0.099
   86    HE1  TYR  15           1HE      TYR  15  -1.205  -3.448  -0.304
   87    HE2  TYR  15           2HE      TYR  15  -0.147   0.510  -1.490
   88    HH   TYR  15           HH       TYR  15   1.203  -1.427  -1.706
   89    H    GLU  16           H        GLU  16  -3.377   2.788   2.470
   90    HA   GLU  16           HA       GLU  16  -0.789   3.517   1.931
   91    HB2  GLU  16           2HB      GLU  16  -3.007   5.029   3.311
   92    HB3  GLU  16           1HB      GLU  16  -1.535   5.766   2.755
   93    HG2  GLU  16           2HG      GLU  16  -2.123   4.776   0.473
   94    HG3  GLU  16           1HG      GLU  16  -3.732   4.595   1.157
   95    H    TRP  17           H        TRP  17  -2.390   3.154   5.123
   96    HA   TRP  17           HA       TRP  17  -0.056   3.841   6.579
   97    HB2  TRP  17           2HB      TRP  17  -1.926   3.783   7.962
   98    HB3  TRP  17           1HB      TRP  17  -2.504   2.297   7.263
   99    HD1  TRP  17           HD       TRP  17   0.653   3.197   9.222
  100    HE1  TRP  17           1HE      TRP  17   1.049   1.387  10.991
  101    HE3  TRP  17           3HE      TRP  17  -3.088   0.258   7.988
  102    HZ2  TRP  17           2HZ      TRP  17  -0.210  -1.016  11.787
  103    HZ3  TRP  17           3HZ      TRP  17  -3.517  -1.831   9.276
  104    HH2  TRP  17           HH       TRP  17  -2.060  -2.434  11.129
  105    H    LEU  18           H        LEU  18  -1.390   0.741   5.442
  106    HA   LEU  18           HA       LEU  18   0.342  -0.981   6.677
  107    HB2  LEU  18           2HB      LEU  18  -1.024  -1.016   4.002
  108    HB3  LEU  18           1HB      LEU  18   0.237  -2.197   4.254
  109    HG   LEU  18           HG       LEU  18  -2.035  -3.071   4.641
  110   HD11  LEU  18          1HD1      LEU  18  -0.264  -2.990   7.083
  111   HD12  LEU  18          2HD1      LEU  18  -0.109  -4.101   5.720
  112   HD13  LEU  18          3HD1      LEU  18  -1.531  -4.175   6.762
  113   HD21  LEU  18          3HD2      LEU  18  -2.043  -1.155   6.962
  114   HD22  LEU  18          1HD2      LEU  18  -3.236  -2.420   6.663
  115   HD23  LEU  18          2HD2      LEU  18  -3.073  -1.075   5.532
  116    H    VAL  19           H        VAL  19   0.875   0.694   3.567
  117    HA   VAL  19           HA       VAL  19   3.491  -0.212   3.114
  118    HB   VAL  19           HB       VAL  19   2.209   2.388   2.254
  119   HG11  VAL  19          1HG1      VAL  19   4.663   2.597   2.285
  120   HG12  VAL  19          2HG1      VAL  19   4.031   2.571   0.638
  121   HG13  VAL  19          3HG1      VAL  19   4.789   1.129   1.314
  122   HG21  VAL  19          3HG2      VAL  19   2.003   1.258   0.119
  123   HG22  VAL  19          1HG2      VAL  19   1.204   0.324   1.385
  124   HG23  VAL  19          2HG2      VAL  19   2.793  -0.170   0.792
  125    H    SER  20           H        SER  20   2.387   2.712   4.874
  126    HA   SER  20           HA       SER  20   5.058   3.456   5.565
  127    HB2  SER  20           2HB      SER  20   4.006   5.096   6.998
  128    HB3  SER  20           1HB      SER  20   3.177   5.056   5.455
  129    HG   SER  20           HG       SER  20   1.982   3.305   7.049
  130    H    ARG  21           H        ARG  21   2.849   1.186   6.721
  131    HA   ARG  21           HA       ARG  21   3.710   0.991   9.415
  132    HB2  ARG  21           2HB      ARG  21   1.584   0.119   9.410
  133    HB3  ARG  21           1HB      ARG  21   1.667  -0.215   7.688
  134    HG2  ARG  21           2HG      ARG  21   2.868  -2.186   8.055
  135    HG3  ARG  21           1HG      ARG  21   3.042  -1.863   9.741
  136    HD2  ARG  21           2HD      ARG  21   0.628  -2.097  10.042
  137    HD3  ARG  21           1HD      ARG  21   0.468  -2.453   8.325
  138    HE   ARG  21           HE       ARG  21   2.336  -4.194   9.602
  139   HH11  ARG  21          1HH1      ARG  21  -1.100  -3.666   9.189
  140   HH12  ARG  21          2HH1      ARG  21  -1.521  -5.336   9.393
  141   HH21  ARG  21          1HH2      ARG  21   1.801  -6.390   9.890
  142   HH22  ARG  21          2HH2      ARG  21   0.139  -6.893   9.779
  143    H    ILE  22           H        ILE  22   4.358  -0.626   6.448
  144    HA   ILE  22           HA       ILE  22   6.294  -2.429   7.689
  145    HB   ILE  22           HB       ILE  22   5.507  -2.339   4.792
  146   HG12  ILE  22          2HG1      ILE  22   3.645  -2.665   6.606
  147   HG13  ILE  22          1HG1      ILE  22   3.686  -3.664   5.183
  148   HG21  ILE  22          1HG2      ILE  22   6.626  -4.534   6.515
  149   HG22  ILE  22          2HG2      ILE  22   7.546  -3.571   5.360
  150   HG23  ILE  22          3HG2      ILE  22   6.261  -4.643   4.794
  151   HD11  ILE  22          3HD1      ILE  22   4.616  -4.409   7.940
  152   HD12  ILE  22          1HD1      ILE  22   4.803  -5.429   6.511
  153   HD13  ILE  22          2HD1      ILE  22   3.191  -5.016   7.092
  154    H    VAL  23           H        VAL  23   6.208  -0.604   4.640
  155    HA   VAL  23           HA       VAL  23   8.998  -0.234   4.390
  156    HB   VAL  23           HB       VAL  23   6.710   1.335   3.192
  157   HG11  VAL  23          1HG1      VAL  23   9.568   0.941   2.285
  158   HG12  VAL  23          2HG1      VAL  23   8.882   2.429   2.942
  159   HG13  VAL  23          3HG1      VAL  23   8.316   1.804   1.393
  160   HG21  VAL  23          3HG2      VAL  23   6.470  -1.057   2.810
  161   HG22  VAL  23          1HG2      VAL  23   8.110  -1.130   2.166
  162   HG23  VAL  23          2HG2      VAL  23   6.868  -0.207   1.317
  163    H    LYS  24           H        LYS  24  10.101   0.796   5.918
  164    HA   LYS  24           HA       LYS  24   9.074   3.214   7.171
  165    HB2  LYS  24           2HB      LYS  24  11.455   1.497   7.641
  166    HB3  LYS  24           1HB      LYS  24  11.248   3.024   8.468
  167    HG2  LYS  24           2HG      LYS  24   9.511   0.592   8.582
  168    HG3  LYS  24           1HG      LYS  24  10.544   1.259   9.837
  169    HD2  LYS  24           2HD      LYS  24   9.187   3.126  10.142
  170    HD3  LYS  24           1HD      LYS  24   8.352   2.833   8.616
  171    HE2  LYS  24           2HE      LYS  24   7.512   0.707   9.581
  172    HE3  LYS  24           1HE      LYS  24   8.173   1.216  11.136
  173    HZ1  LYS  24           3HZ      LYS  24   6.775   3.236  10.957
  174    HZ2  LYS  24           1HZ      LYS  24   5.879   1.804  11.072
  175    HZ3  LYS  24           2HZ      LYS  24   6.043   2.580   9.575
  176    H    ASN  25           H        ASN  25  12.200   2.261   5.839
  177    HA   ASN  25           HA       ASN  25  12.806   5.092   5.361
  178    HB2  ASN  25           2HB      ASN  25  15.134   4.440   5.367
  179    HB3  ASN  25           1HB      ASN  25  14.341   3.719   6.764
  180   HD21  ASN  25          1HD2      ASN  25  16.773   2.905   5.482
  181   HD22  ASN  25          2HD2      ASN  25  16.526   1.272   4.954
  182    H    HIS  26           H        HIS  26  11.251   3.177   3.534
  183    HA   HIS  26           HA       HIS  26  10.850   2.996   1.328
  184    HB2  HIS  26           2HB      HIS  26  11.404   4.730  -0.121
  185    HB3  HIS  26           1HB      HIS  26  11.421   5.500   1.420
  186    HD1  HIS  26           1HD      HIS  26  13.141   7.160   1.448
  187    HD2  HIS  26           2HD      HIS  26  14.374   3.842  -0.694
  188    HE1  HIS  26           1HE      HIS  26  15.552   7.589   0.858
  189    HE2  HIS  26           2HE      HIS  26  16.254   5.610  -0.533
  190    H    ASN  27           H        ASN  27  13.676   2.026   2.628
  191    HA   ASN  27           HA       ASN  27  15.030   1.359   0.137
  192    HB2  ASN  27           2HB      ASN  27  15.755   1.498   3.000
  193    HB3  ASN  27           1HB      ASN  27  16.597   0.295   2.051
  194   HD21  ASN  27          1HD2      ASN  27  15.952   3.730   2.332
  195   HD22  ASN  27          2HD2      ASN  27  17.358   4.183   1.450
  196    H    GLU  28           H        GLU  28  12.513   0.196   0.747
  197    HA   GLU  28           HA       GLU  28  13.085  -2.633   1.162
  198    HB2  GLU  28           2HB      GLU  28  10.463  -1.174   0.787
  199    HB3  GLU  28           1HB      GLU  28  10.640  -2.876   1.159
  200    HG2  GLU  28           2HG      GLU  28  11.527  -0.626   2.934
  201    HG3  GLU  28           1HG      GLU  28  10.017  -1.514   3.089
  202    H    ASN  29           H        ASN  29  11.576  -4.011  -0.350
  203    HA   ASN  29           HA       ASN  29  11.501  -2.916  -3.077
  204    HB2  ASN  29           2HB      ASN  29  12.796  -5.439  -2.159
  205    HB3  ASN  29           1HB      ASN  29  11.899  -5.502  -3.672
  206   HD21  ASN  29          1HD2      ASN  29  13.729  -5.836  -4.904
  207   HD22  ASN  29          2HD2      ASN  29  14.907  -4.601  -5.176
  208    H    TRP  30           H        TRP  30   9.576  -3.106  -3.980
  209    HA   TRP  30           HA       TRP  30   7.300  -3.386  -2.535
  210    HB2  TRP  30           2HB      TRP  30   7.054  -2.349  -4.573
  211    HB3  TRP  30           1HB      TRP  30   7.814  -3.646  -5.456
  212    HD1  TRP  30           HD       TRP  30   6.218  -4.885  -6.816
  213    HE1  TRP  30           1HE      TRP  30   3.715  -5.532  -6.730
  214    HE3  TRP  30           3HE      TRP  30   5.088  -2.816  -2.322
  215    HZ2  TRP  30           2HZ      TRP  30   1.550  -5.181  -4.925
  216    HZ3  TRP  30           3HZ      TRP  30   2.805  -3.005  -1.473
  217    HH2  TRP  30           HH       TRP  30   1.063  -4.169  -2.740
  218    H    LEU  31           H        LEU  31   8.637  -6.010  -4.521
  219    HA   LEU  31           HA       LEU  31   6.461  -7.716  -4.140
  220    HB2  LEU  31           2HB      LEU  31   9.332  -8.225  -4.850
  221    HB3  LEU  31           1HB      LEU  31   8.088  -9.458  -4.880
  222    HG   LEU  31           HG       LEU  31   8.394  -8.660  -7.065
  223   HD11  LEU  31          1HD1      LEU  31   5.874  -7.512  -5.965
  224   HD12  LEU  31          2HD1      LEU  31   6.124  -9.177  -6.492
  225   HD13  LEU  31          3HD1      LEU  31   6.177  -7.863  -7.667
  226   HD21  LEU  31          3HD2      LEU  31   9.426  -6.501  -6.560
  227   HD22  LEU  31          1HD2      LEU  31   7.820  -5.873  -6.185
  228   HD23  LEU  31          2HD2      LEU  31   8.196  -6.411  -7.820
  229    H    SER  32           H        SER  32   9.659  -7.727  -2.601
  230    HA   SER  32           HA       SER  32   9.168  -9.590  -0.605
  231    HB2  SER  32           2HB      SER  32  10.833  -7.136  -0.251
  232    HB3  SER  32           1HB      SER  32  11.003  -8.646   0.606
  233    HG   SER  32           HG       SER  32  11.296  -8.417  -2.209
  234    H    VAL  33           H        VAL  33   8.424  -6.064  -0.500
  235    HA   VAL  33           HA       VAL  33   7.560  -6.264   2.199
  236    HB   VAL  33           HB       VAL  33   6.228  -4.036   1.368
  237   HG11  VAL  33          1HG1      VAL  33   8.103  -2.791   2.258
  238   HG12  VAL  33          2HG1      VAL  33   9.154  -4.194   2.061
  239   HG13  VAL  33          3HG1      VAL  33   7.829  -4.242   3.219
  240   HG21  VAL  33          3HG2      VAL  33   8.681  -4.172  -0.327
  241   HG22  VAL  33          1HG2      VAL  33   7.573  -2.812  -0.161
  242   HG23  VAL  33          2HG2      VAL  33   7.025  -4.310  -0.916
  243    H    SER  34           H        SER  34   6.067  -6.825  -0.880
  244    HA   SER  34           HA       SER  34   3.375  -6.967   0.013
  245    HB2  SER  34           2HB      SER  34   4.732  -8.494  -2.234
  246    HB3  SER  34           1HB      SER  34   2.996  -8.288  -2.031
  247    HG   SER  34           HG       SER  34   4.825  -6.142  -2.327
  248    H    ARG  35           H        ARG  35   6.048  -9.284  -0.027
  249    HA   ARG  35           HA       ARG  35   4.774 -11.588   0.787
  250    HB2  ARG  35           2HB      ARG  35   7.480 -10.661   1.697
  251    HB3  ARG  35           1HB      ARG  35   6.920 -12.259   1.356
  252    HG2  ARG  35           2HG      ARG  35   6.999 -10.274  -0.718
  253    HG3  ARG  35           1HG      ARG  35   8.365 -11.280  -0.304
  254    HD2  ARG  35           2HD      ARG  35   5.642 -12.335  -0.936
  255    HD3  ARG  35           1HD      ARG  35   6.922 -12.162  -2.096
  256    HE   ARG  35           HE       ARG  35   7.395 -13.794   0.273
  257   HH11  ARG  35          1HH1      ARG  35   6.923 -13.590  -3.194
  258   HH12  ARG  35          2HH1      ARG  35   7.581 -15.164  -3.505
  259   HH21  ARG  35          1HH2      ARG  35   8.244 -15.866  -0.128
  260   HH22  ARG  35          2HH2      ARG  35   8.347 -16.458  -1.762
  261    H    LYS  36           H        LYS  36   6.368  -9.081   2.579
  262    HA   LYS  36           HA       LYS  36   5.693  -9.724   5.190
  263    HB2  LYS  36           2HB      LYS  36   5.855  -6.947   4.040
  264    HB3  LYS  36           1HB      LYS  36   6.229  -7.447   5.671
  265    HG2  LYS  36           2HG      LYS  36   7.993  -8.881   4.687
  266    HG3  LYS  36           1HG      LYS  36   7.741  -8.047   3.189
  267    HD2  LYS  36           2HD      LYS  36   8.305  -5.970   4.277
  268    HD3  LYS  36           1HD      LYS  36   8.562  -6.804   5.800
  269    HE2  LYS  36           2HE      LYS  36  10.326  -8.148   4.710
  270    HE3  LYS  36           1HE      LYS  36  10.102  -7.208   3.237
  271    HZ1  LYS  36           3HZ      LYS  36  10.891  -6.030   5.847
  272    HZ2  LYS  36           1HZ      LYS  36  10.867  -5.247   4.339
  273    HZ3  LYS  36           2HZ      LYS  36  11.991  -6.484   4.642
  274    H    MET  37           H        MET  37   4.148  -7.526   3.002
  275    HA   MET  37           HA       MET  37   1.991  -6.774   4.620
  276    HB2  MET  37           2HB      MET  37   2.648  -6.508   1.719
  277    HB3  MET  37           1HB      MET  37   1.095  -5.952   2.319
  278    HG2  MET  37           2HG      MET  37   2.097  -4.365   3.734
  279    HG3  MET  37           1HG      MET  37   3.672  -5.113   3.571
  280    HE1  MET  37           3HE      MET  37   1.701  -2.939   0.021
  281    HE2  MET  37           1HE      MET  37   0.887  -3.099   1.579
  282    HE3  MET  37           2HE      MET  37   1.227  -4.532   0.609
  283    H    GLN  38           H        GLN  38   2.232  -9.573   2.499
  284    HA   GLN  38           HA       GLN  38  -0.487  -9.808   1.858
  285    HB2  GLN  38           2HB      GLN  38  -0.034 -12.093   1.256
  286    HB3  GLN  38           1HB      GLN  38   1.242 -11.052   0.674
  287    HG2  GLN  38           2HG      GLN  38   2.415 -12.857   1.463
  288    HG3  GLN  38           1HG      GLN  38   2.469 -11.764   2.827
  289   HE21  GLN  38          1HE2      GLN  38  -0.386 -13.573   2.008
  290   HE22  GLN  38          2HE2      GLN  38  -0.323 -14.616   3.380
  291    H    ALA  39           H        ALA  39   1.223 -10.624   4.716
  292    HA   ALA  39           HA       ALA  39  -0.741 -12.361   5.827
  293    HB1  ALA  39           1HB      ALA  39   0.520 -12.161   7.884
  294    HB2  ALA  39           2HB      ALA  39   1.402 -10.778   7.234
  295    HB3  ALA  39           3HB      ALA  39   1.617 -12.376   6.517
  296    H    SER  40           H        SER  40  -0.975  -9.195   5.087
  297    HA   SER  40           HA       SER  40  -2.728  -8.589   7.357
  298    HB2  SER  40           2HB      SER  40  -1.556  -6.629   5.379
  299    HB3  SER  40           1HB      SER  40  -2.378  -6.257   6.892
  300    HG   SER  40           HG       SER  40  -0.475  -7.781   7.665
  301    HA   PRO  41           HA       PRO  41  -6.242  -9.235   4.636
  302    HB2  PRO  41           2HB      PRO  41  -7.819  -7.616   6.290
  303    HB3  PRO  41           1HB      PRO  41  -7.679  -9.358   6.357
  304    HG2  PRO  41           2HG      PRO  41  -6.366  -7.320   8.003
  305    HG3  PRO  41           1HG      PRO  41  -6.865  -8.953   8.430
  306    HD2  PRO  41           2HD      PRO  41  -4.290  -8.328   8.041
  307    HD3  PRO  41           1HD      PRO  41  -4.949  -9.909   7.564
  308    H    GLU  42           H        GLU  42  -5.249  -6.211   5.959
  309    HA   GLU  42           HA       GLU  42  -6.778  -4.537   4.366
  310    HB2  GLU  42           2HB      GLU  42  -4.032  -3.753   5.250
  311    HB3  GLU  42           1HB      GLU  42  -5.474  -2.757   5.145
  312    HG2  GLU  42           2HG      GLU  42  -4.786  -4.813   7.221
  313    HG3  GLU  42           1HG      GLU  42  -5.032  -3.084   7.432
  314    H    TYR  43           H        TYR  43  -3.486  -5.709   3.884
  315    HA   TYR  43           HA       TYR  43  -2.947  -4.505   1.418
  316    HB2  TYR  43           2HB      TYR  43  -1.077  -5.440   2.398
  317    HB3  TYR  43           1HB      TYR  43  -1.932  -6.881   2.915
  318    HD1  TYR  43           1HD      TYR  43  -2.320  -8.727   1.293
  319    HD2  TYR  43           2HD      TYR  43   0.111  -5.370   0.326
  320    HE1  TYR  43           1HE      TYR  43  -1.318 -10.004  -0.549
  321    HE2  TYR  43           2HE      TYR  43   1.103  -6.630  -1.544
  322    HH   TYR  43           HH       TYR  43  -0.203  -9.415  -2.784
  323    H    GLN  44           H        GLN  44  -4.452  -7.596   2.220
  324    HA   GLN  44           HA       GLN  44  -4.772  -8.616  -0.373
  325    HB2  GLN  44           2HB      GLN  44  -6.653  -8.994   1.950
  326    HB3  GLN  44           1HB      GLN  44  -6.423 -10.078   0.582
  327    HG2  GLN  44           2HG      GLN  44  -4.149  -9.402   2.379
  328    HG3  GLN  44           1HG      GLN  44  -5.344 -10.606   2.835
  329   HE21  GLN  44          1HE2      GLN  44  -3.773 -12.235   2.775
  330   HE22  GLN  44          2HE2      GLN  44  -3.156 -12.864   1.287
  331    H    ASP  45           H        ASP  45  -7.171  -7.102   1.701
  332    HA   ASP  45           HA       ASP  45  -9.309  -6.986  -0.007
  333    HB2  ASP  45           2HB      ASP  45  -9.226  -6.330   2.443
  334    HB3  ASP  45           1HB      ASP  45  -8.675  -4.747   1.905
  335    H    TYR  46           H        TYR  46  -6.755  -4.556   0.256
  336    HA   TYR  46           HA       TYR  46  -7.944  -2.796  -1.637
  337    HB2  TYR  46           2HB      TYR  46  -6.393  -1.903  -0.006
  338    HB3  TYR  46           1HB      TYR  46  -5.104  -2.924  -0.638
  339    HD1  TYR  46           1HD      TYR  46  -7.421  -0.177  -1.622
  340    HD2  TYR  46           2HD      TYR  46  -3.712  -2.133  -2.339
  341    HE1  TYR  46           1HE      TYR  46  -6.806   1.585  -3.222
  342    HE2  TYR  46           2HE      TYR  46  -3.089  -0.374  -3.936
  343    HH   TYR  46           HH       TYR  46  -4.219   1.292  -5.373
  344    H    VAL  47           H        VAL  47  -5.575  -5.365  -1.929
  345    HA   VAL  47           HA       VAL  47  -5.019  -4.690  -4.629
  346    HB   VAL  47           HB       VAL  47  -4.431  -7.192  -3.055
  347   HG11  VAL  47          1HG1      VAL  47  -4.577  -7.823  -5.382
  348   HG12  VAL  47          2HG1      VAL  47  -2.889  -7.817  -4.875
  349   HG13  VAL  47          3HG1      VAL  47  -3.525  -6.485  -5.839
  350   HG21  VAL  47          3HG2      VAL  47  -2.649  -4.940  -3.968
  351   HG22  VAL  47          1HG2      VAL  47  -2.134  -6.367  -3.066
  352   HG23  VAL  47          2HG2      VAL  47  -3.232  -5.203  -2.324
  353    H    TYR  48           H        TYR  48  -7.425  -6.498  -3.011
  354    HA   TYR  48           HA       TYR  48  -8.366  -8.062  -5.173
  355    HB2  TYR  48           2HB      TYR  48  -9.028  -8.752  -3.057
  356    HB3  TYR  48           1HB      TYR  48  -9.392  -7.123  -2.524
  357    HD1  TYR  48           1HD      TYR  48 -10.609  -9.926  -4.586
  358    HD2  TYR  48           2HD      TYR  48 -11.484  -6.201  -2.767
  359    HE1  TYR  48           1HE      TYR  48 -13.008 -10.298  -5.031
  360    HE2  TYR  48           2HE      TYR  48 -13.900  -6.549  -3.194
  361    HH   TYR  48           HH       TYR  48 -15.171  -9.551  -4.134
  362    H    LEU  49           H        LEU  49  -9.448  -5.033  -3.706
  363    HA   LEU  49           HA       LEU  49 -11.454  -4.358  -5.548
  364    HB2  LEU  49           2HB      LEU  49  -9.678  -2.392  -4.130
  365    HB3  LEU  49           1HB      LEU  49 -11.313  -2.121  -4.692
  366    HG   LEU  49           HG       LEU  49 -10.540  -4.015  -2.502
  367   HD11  LEU  49          1HD1      LEU  49 -10.054  -1.740  -1.843
  368   HD12  LEU  49          2HD1      LEU  49 -11.487  -2.315  -0.991
  369   HD13  LEU  49          3HD1      LEU  49 -11.656  -1.221  -2.365
  370   HD21  LEU  49          3HD2      LEU  49 -12.923  -4.043  -1.996
  371   HD22  LEU  49          1HD2      LEU  49 -12.639  -4.580  -3.652
  372   HD23  LEU  49          2HD2      LEU  49 -13.236  -2.947  -3.342
  373    H    GLU  50           H        GLU  50  -8.244  -2.942  -5.263
  374    HA   GLU  50           HA       GLU  50  -8.460  -1.836  -7.947
  375    HB2  GLU  50           2HB      GLU  50  -6.491  -1.483  -5.708
  376    HB3  GLU  50           1HB      GLU  50  -6.176  -0.845  -7.317
  377    HG2  GLU  50           2HG      GLU  50  -8.666  -0.219  -5.782
  378    HG3  GLU  50           1HG      GLU  50  -7.198   0.745  -5.650
  379    H    GLY  51           H        GLY  51  -5.624  -3.264  -6.387
  380    HA2  GLY  51           2HA      GLY  51  -5.166  -5.548  -7.671
  381    HA3  GLY  51           1HA      GLY  51  -4.852  -4.394  -8.958
  382    H    THR  52           H        THR  52  -2.878  -6.045  -8.267
  383    HA   THR  52           HA       THR  52  -1.238  -5.165  -6.134
  384    HB   THR  52           HB       THR  52   0.021  -6.614  -8.384
  385    HG1  THR  52           1HG      THR  52  -1.564  -8.302  -6.917
  386   HG21  THR  52          3HG2      THR  52   0.721  -8.082  -6.507
  387   HG22  THR  52          1HG2      THR  52  -0.217  -7.070  -5.409
  388   HG23  THR  52          2HG2      THR  52   1.169  -6.392  -6.266
  389    H    GLN  53           H        GLN  53  -1.508  -4.198  -9.491
  390    HA   GLN  53           HA       GLN  53   1.082  -3.025  -9.694
  391    HB2  GLN  53           2HB      GLN  53  -1.407  -2.457 -11.313
  392    HB3  GLN  53           1HB      GLN  53   0.238  -2.054 -11.759
  393    HG2  GLN  53           2HG      GLN  53   0.759  -4.467 -11.716
  394    HG3  GLN  53           1HG      GLN  53  -0.946  -4.789 -11.478
  395   HE21  GLN  53          1HE2      GLN  53   0.189  -2.188 -13.498
  396   HE22  GLN  53          2HE2      GLN  53  -0.320  -2.875 -15.001
  397    H    LYS  54           H        LYS  54  -2.151  -1.782  -9.146
  398    HA   LYS  54           HA       LYS  54  -1.425   0.925  -8.782
  399    HB2  LYS  54           2HB      LYS  54  -3.778  -0.540  -7.782
  400    HB3  LYS  54           1HB      LYS  54  -3.608   1.189  -7.757
  401    HG2  LYS  54           2HG      LYS  54  -3.233   1.007 -10.240
  402    HG3  LYS  54           1HG      LYS  54  -3.875  -0.611 -10.073
  403    HD2  LYS  54           2HD      LYS  54  -5.712   0.717  -8.706
  404    HD3  LYS  54           1HD      LYS  54  -5.233   1.987  -9.825
  405    HE2  LYS  54           2HE      LYS  54  -5.681   0.519 -11.713
  406    HE3  LYS  54           1HE      LYS  54  -6.126  -0.784 -10.614
  407    HZ1  LYS  54           3HZ      LYS  54  -7.551   1.796 -10.982
  408    HZ2  LYS  54           1HZ      LYS  54  -7.950   0.650  -9.792
  409    HZ3  LYS  54           2HZ      LYS  54  -8.096   0.259 -11.437
  410    H    ALA  55           H        ALA  55  -1.822  -1.741  -6.565
  411    HA   ALA  55           HA       ALA  55  -1.231  -0.347  -4.154
  412    HB1  ALA  55           1HB      ALA  55  -0.757  -3.252  -4.879
  413    HB2  ALA  55           2HB      ALA  55  -2.254  -2.582  -4.229
  414    HB3  ALA  55           3HB      ALA  55  -0.787  -2.578  -3.249
  415    H    LYS  56           H        LYS  56   0.814  -1.928  -6.594
  416    HA   LYS  56           HA       LYS  56   3.265  -1.637  -5.277
  417    HB2  LYS  56           2HB      LYS  56   2.918  -3.087  -7.232
  418    HB3  LYS  56           1HB      LYS  56   2.596  -1.680  -8.226
  419    HG2  LYS  56           2HG      LYS  56   4.784  -0.915  -8.014
  420    HG3  LYS  56           1HG      LYS  56   5.186  -2.102  -6.783
  421    HD2  LYS  56           2HD      LYS  56   4.809  -3.886  -8.473
  422    HD3  LYS  56           1HD      LYS  56   4.572  -2.635  -9.684
  423    HE2  LYS  56           2HE      LYS  56   6.830  -1.796  -9.272
  424    HE3  LYS  56           1HE      LYS  56   7.072  -3.048  -8.054
  425    HZ1  LYS  56           3HZ      LYS  56   6.605  -4.680  -9.900
  426    HZ2  LYS  56           1HZ      LYS  56   8.071  -3.831 -10.010
  427    HZ3  LYS  56           2HZ      LYS  56   6.758  -3.382 -10.978
  428    H    LYS  57           H        LYS  57   1.684   0.295  -7.796
  429    HA   LYS  57           HA       LYS  57   3.368   2.437  -7.912
  430    HB2  LYS  57           2HB      LYS  57   1.228   1.646  -9.176
  431    HB3  LYS  57           1HB      LYS  57   0.392   2.695  -8.074
  432    HG2  LYS  57           2HG      LYS  57   0.771   3.986  -9.896
  433    HG3  LYS  57           1HG      LYS  57   2.077   4.452  -8.807
  434    HD2  LYS  57           2HD      LYS  57   3.608   3.043  -9.947
  435    HD3  LYS  57           1HD      LYS  57   2.291   2.352 -10.878
  436    HE2  LYS  57           2HE      LYS  57   1.920   4.383 -12.037
  437    HE3  LYS  57           1HE      LYS  57   3.049   5.205 -10.983
  438    HZ1  LYS  57           3HZ      LYS  57   3.722   3.092 -12.941
  439    HZ2  LYS  57           1HZ      LYS  57   4.837   3.819 -11.887
  440    HZ3  LYS  57           2HZ      LYS  57   4.078   4.740 -13.094
  441    H    LEU  58           H        LEU  58   0.657   1.847  -5.706
  442    HA   LEU  58           HA       LEU  58   0.731   4.251  -4.255
  443    HB2  LEU  58           2HB      LEU  58  -1.078   2.519  -4.181
  444    HB3  LEU  58           1HB      LEU  58  -0.004   1.474  -3.292
  445    HG   LEU  58           HG       LEU  58  -0.321   2.577  -1.344
  446   HD11  LEU  58          1HD1      LEU  58  -0.948   4.959  -1.134
  447   HD12  LEU  58          2HD1      LEU  58  -0.988   5.088  -2.893
  448   HD13  LEU  58          3HD1      LEU  58   0.535   4.756  -2.067
  449   HD21  LEU  58          3HD2      LEU  58  -2.670   3.257  -1.138
  450   HD22  LEU  58          1HD2      LEU  58  -2.481   1.767  -2.063
  451   HD23  LEU  58          2HD2      LEU  58  -2.797   3.289  -2.897
  452    H    PHE  59           H        PHE  59   2.377   1.148  -3.687
  453    HA   PHE  59           HA       PHE  59   3.976   1.760  -1.518
  454    HB2  PHE  59           2HB      PHE  59   4.032  -0.458  -2.382
  455    HB3  PHE  59           1HB      PHE  59   4.479   0.094  -3.986
  456    HD1  PHE  59           2HD      PHE  59   5.788   0.073  -0.500
  457    HD2  PHE  59           1HD      PHE  59   6.686  -0.141  -4.662
  458    HE1  PHE  59           2HE      PHE  59   8.148  -0.358   0.027
  459    HE2  PHE  59           1HE      PHE  59   9.045  -0.560  -4.131
  460    HZ   PHE  59           HZ       PHE  59   9.781  -0.674  -1.788
  461    H    LEU  60           H        LEU  60   4.756   2.234  -4.936
  462    HA   LEU  60           HA       LEU  60   7.205   3.481  -4.779
  463    HB2  LEU  60           2HB      LEU  60   4.940   3.579  -6.696
  464    HB3  LEU  60           1HB      LEU  60   6.201   4.771  -6.874
  465    HG   LEU  60           HG       LEU  60   6.482   2.880  -8.319
  466   HD11  LEU  60          1HD1      LEU  60   8.435   4.125  -7.475
  467   HD12  LEU  60          2HD1      LEU  60   8.818   2.441  -7.837
  468   HD13  LEU  60          3HD1      LEU  60   8.580   2.953  -6.165
  469   HD21  LEU  60          3HD2      LEU  60   6.761   1.256  -5.812
  470   HD22  LEU  60          1HD2      LEU  60   7.129   0.685  -7.439
  471   HD23  LEU  60          2HD2      LEU  60   5.475   1.127  -7.012
  472    H    GLN  61           H        GLN  61   4.057   5.055  -4.916
  473    HA   GLN  61           HA       GLN  61   4.861   7.699  -4.700
  474    HB2  GLN  61           2HB      GLN  61   2.381   6.387  -3.580
  475    HB3  GLN  61           1HB      GLN  61   2.574   8.115  -3.773
  476    HG2  GLN  61           2HG      GLN  61   2.865   7.721  -6.160
  477    HG3  GLN  61           1HG      GLN  61   2.512   6.032  -5.923
  478   HE21  GLN  61          1HE2      GLN  61   0.420   5.415  -5.458
  479   HE22  GLN  61          2HE2      GLN  61  -0.927   6.472  -5.680
  480    H    HIS  62           H        HIS  62   3.831   5.607  -2.018
  481    HA   HIS  62           HA       HIS  62   4.508   7.413   0.031
  482    HB2  HIS  62           2HB      HIS  62   3.260   5.222   0.371
  483    HB3  HIS  62           1HB      HIS  62   4.820   4.423   0.300
  484    HD1  HIS  62           1HD      HIS  62   5.733   4.013   2.524
  485    HD2  HIS  62           2HD      HIS  62   3.429   7.464   2.403
  486    HE1  HIS  62           1HE      HIS  62   5.782   4.938   4.821
  487    HE2  HIS  62           2HE      HIS  62   4.542   7.121   4.713
  488    H    ILE  63           H        ILE  63   6.442   4.953  -1.571
  489    HA   ILE  63           HA       ILE  63   8.777   5.127  -0.150
  490    HB   ILE  63           HB       ILE  63   8.349   4.812  -3.096
  491   HG12  ILE  63          2HG1      ILE  63   7.587   3.016  -1.630
  492   HG13  ILE  63          1HG1      ILE  63   8.961   2.515  -2.578
  493   HG21  ILE  63          1HG2      ILE  63  10.768   3.993  -3.080
  494   HG22  ILE  63          2HG2      ILE  63  10.929   4.879  -1.559
  495   HG23  ILE  63          3HG2      ILE  63  10.505   5.736  -3.039
  496   HD11  ILE  63          3HD1      ILE  63  10.429   2.841  -0.688
  497   HD12  ILE  63          1HD1      ILE  63   9.132   1.707  -0.316
  498   HD13  ILE  63          2HD1      ILE  63   9.050   3.366   0.278
  499    H    HIS  64           H        HIS  64   7.687   7.232  -2.769
  500    HA   HIS  64           HA       HIS  64  10.059   8.846  -2.913
  501    HB2  HIS  64           2HB      HIS  64   8.474   8.690  -4.759
  502    HB3  HIS  64           1HB      HIS  64   7.170   9.214  -3.751
  503    HD1  HIS  64           1HD      HIS  64   7.922  11.609  -2.623
  504    HD2  HIS  64           2HD      HIS  64   9.047  10.717  -6.490
  505    HE1  HIS  64           1HE      HIS  64   8.480  13.838  -3.683
  506    HE2  HIS  64           2HE      HIS  64   8.876  13.280  -6.128
  507    H    ARG  65           H        ARG  65   6.903   9.198  -1.314
  508    HA   ARG  65           HA       ARG  65   7.266  11.589  -0.085
  509    HB2  ARG  65           2HB      ARG  65   5.879   9.115   0.532
  510    HB3  ARG  65           1HB      ARG  65   5.698  10.503   1.548
  511    HG2  ARG  65           2HG      ARG  65   4.773  11.700  -0.074
  512    HG3  ARG  65           1HG      ARG  65   5.428  10.736  -1.366
  513    HD2  ARG  65           2HD      ARG  65   3.828   9.244  -1.243
  514    HD3  ARG  65           1HD      ARG  65   3.686   9.353   0.494
  515    HE   ARG  65           HE       ARG  65   2.200  11.188   0.239
  516   HH11  ARG  65          1HH1      ARG  65   3.196   9.784  -2.803
  517   HH12  ARG  65          2HH1      ARG  65   1.925  10.531  -3.720
  518   HH21  ARG  65          1HH2      ARG  65   0.521  12.169  -0.952
  519   HH22  ARG  65          2HH2      ARG  65   0.398  11.890  -2.661
  520    H    LEU  66           H        LEU  66   7.920   8.422   1.265
  521    HA   LEU  66           HA       LEU  66   9.367   8.903   3.535
  522    HB2  LEU  66           2HB      LEU  66   9.938   6.915   1.363
  523    HB3  LEU  66           1HB      LEU  66  10.607   6.807   2.958
  524    HG   LEU  66           HG       LEU  66   7.710   6.707   2.247
  525   HD11  LEU  66          1HD1      LEU  66   7.855   4.355   2.921
  526   HD12  LEU  66          2HD1      LEU  66   9.596   4.537   3.145
  527   HD13  LEU  66          3HD1      LEU  66   8.890   4.705   1.538
  528   HD21  LEU  66          3HD2      LEU  66   8.110   7.702   4.414
  529   HD22  LEU  66          1HD2      LEU  66   9.119   6.332   4.869
  530   HD23  LEU  66          2HD2      LEU  66   7.392   6.100   4.590
  531    H    LYS  67           H        LYS  67  10.579   8.800   0.287
  532    HA   LYS  67           HA       LYS  67  13.233   9.497   0.771
  533    HB2  LYS  67           2HB      LYS  67  11.506  10.016  -1.652
  534    HB3  LYS  67           1HB      LYS  67  13.233   9.919  -1.631
  535    HG2  LYS  67           2HG      LYS  67  12.940   7.615  -0.704
  536    HG3  LYS  67           1HG      LYS  67  11.281   7.754  -1.233
  537    HD2  LYS  67           2HD      LYS  67  13.771   7.628  -2.820
  538    HD3  LYS  67           1HD      LYS  67  12.306   6.681  -3.005
  539    HE2  LYS  67           2HE      LYS  67  11.212   8.929  -3.634
  540    HE3  LYS  67           1HE      LYS  67  12.865   9.497  -3.855
  541    HZ1  LYS  67           3HZ      LYS  67  11.981   8.732  -5.925
  542    HZ2  LYS  67           1HZ      LYS  67  11.605   7.217  -5.265
  543    HZ3  LYS  67           2HZ      LYS  67  13.225   7.695  -5.440
  544    H    HIS  68           H        HIS  68  10.468  11.499  -0.173
  545    HA   HIS  68           HA       HIS  68  11.188  13.863   0.995
  546    HB2  HIS  68           2HB      HIS  68  11.950  15.092  -1.033
  547    HB3  HIS  68           1HB      HIS  68  13.129  13.980  -0.391
  548    HD1  HIS  68           1HD      HIS  68  10.976  11.848  -2.023
  549    HD2  HIS  68           2HD      HIS  68  13.701  14.655  -3.409
  550    HE1  HIS  68           1HE      HIS  68  11.544  11.143  -4.382
  551    HE2  HIS  68           2HE      HIS  68  13.052  12.949  -5.256
  552    H    GLU  69           H        GLU  69   8.958  14.081   1.281
  553    HA   GLU  69           HA       GLU  69   7.112  13.569  -0.803
  554    HB2  GLU  69           2HB      GLU  69   6.702  13.794   1.787
  555    HB3  GLU  69           1HB      GLU  69   6.402  15.479   1.381
  556    HG2  GLU  69           2HG      GLU  69   4.857  14.458  -0.458
  557    HG3  GLU  69           1HG      GLU  69   4.885  13.047   0.595
  Start of MODEL   14
    1    H    SER   5           H        SER   5 -20.955   2.138  -2.841
    2    HA   SER   5           HA       SER   5 -19.444   3.710  -2.219
    3    HB2  SER   5           2HB      SER   5 -21.617   4.855  -1.454
    4    HB3  SER   5           1HB      SER   5 -21.171   4.343   0.171
    5    HG   SER   5           HG       SER   5 -20.343   6.475  -1.157
    6    H    GLN   6           H        GLN   6 -18.210   4.498  -0.055
    7    HA   GLN   6           HA       GLN   6 -16.766   3.983   1.611
    8    HB2  GLN   6           2HB      GLN   6 -18.758   3.204   2.828
    9    HB3  GLN   6           1HB      GLN   6 -18.577   1.620   2.097
   10    HG2  GLN   6           2HG      GLN   6 -16.526   1.239   3.271
   11    HG3  GLN   6           1HG      GLN   6 -16.519   2.893   3.878
   12   HE21  GLN   6          1HE2      GLN   6 -17.981  -0.255   4.150
   13   HE22  GLN   6          2HE2      GLN   6 -18.749   0.024   5.673
   14    H    GLN   7           H        GLN   7 -15.041   2.502   2.211
   15    HA   GLN   7           HA       GLN   7 -13.409   0.967   1.845
   16    HB2  GLN   7           2HB      GLN   7 -15.578  -0.423   1.053
   17    HB3  GLN   7           1HB      GLN   7 -14.676  -0.388  -0.445
   18    HG2  GLN   7           2HG      GLN   7 -14.242  -2.365   0.927
   19    HG3  GLN   7           1HG      GLN   7 -12.817  -1.397   0.624
   20   HE21  GLN   7          1HE2      GLN   7 -11.777  -2.321   2.410
   21   HE22  GLN   7          2HE2      GLN   7 -12.195  -1.844   4.023
   22    H    ILE   8           H        ILE   8 -14.837   2.686  -0.784
   23    HA   ILE   8           HA       ILE   8 -12.774   2.433  -2.685
   24    HB   ILE   8           HB       ILE   8 -14.617   4.807  -2.360
   25   HG12  ILE   8          2HG1      ILE   8 -15.180   2.313  -3.960
   26   HG13  ILE   8          1HG1      ILE   8 -15.774   2.551  -2.329
   27   HG21  ILE   8          1HG2      ILE   8 -12.835   5.085  -4.003
   28   HG22  ILE   8          2HG2      ILE   8 -14.412   4.960  -4.787
   29   HG23  ILE   8          3HG2      ILE   8 -13.320   3.578  -4.778
   30   HD11  ILE   8          3HD1      ILE   8 -16.394   4.318  -4.676
   31   HD12  ILE   8          1HD1      ILE   8 -17.030   4.495  -3.040
   32   HD13  ILE   8          2HD1      ILE   8 -17.462   3.083  -4.006
   33    H    ALA   9           H        ALA   9 -12.920   4.051   0.267
   34    HA   ALA   9           HA       ALA   9 -10.554   5.657  -0.425
   35    HB1  ALA   9           1HB      ALA   9 -12.497   7.067   0.070
   36    HB2  ALA   9           2HB      ALA   9 -11.213   7.279   1.259
   37    HB3  ALA   9           3HB      ALA   9 -12.631   6.309   1.656
   38    H    THR  10           H        THR  10 -12.147   4.483   2.481
   39    HA   THR  10           HA       THR  10 -10.026   4.453   4.192
   40    HB   THR  10           HB       THR  10 -11.295   2.687   5.456
   41    HG1  THR  10           1HG      THR  10 -13.198   1.968   4.640
   42   HG21  THR  10          3HG2      THR  10 -12.786   5.154   4.563
   43   HG22  THR  10          1HG2      THR  10 -11.605   5.069   5.872
   44   HG23  THR  10          2HG2      THR  10 -13.139   4.210   6.011
   45    H    ALA  11           H        ALA  11 -10.932   1.824   1.966
   46    HA   ALA  11           HA       ALA  11  -9.148  -0.087   3.025
   47    HB1  ALA  11           1HB      ALA  11  -9.403  -1.271   0.917
   48    HB2  ALA  11           2HB      ALA  11 -10.116   0.165   0.180
   49    HB3  ALA  11           3HB      ALA  11 -10.962  -0.672   1.481
   50    H    LYS  12           H        LYS  12  -8.798   2.226   0.361
   51    HA   LYS  12           HA       LYS  12  -6.095   1.573  -0.197
   52    HB2  LYS  12           2HB      LYS  12  -7.560   2.685  -1.835
   53    HB3  LYS  12           1HB      LYS  12  -7.635   4.108  -0.811
   54    HG2  LYS  12           2HG      LYS  12  -5.329   4.585  -1.171
   55    HG3  LYS  12           1HG      LYS  12  -5.075   3.034  -1.973
   56    HD2  LYS  12           2HD      LYS  12  -6.679   3.760  -3.737
   57    HD3  LYS  12           1HD      LYS  12  -6.739   5.346  -2.964
   58    HE2  LYS  12           2HE      LYS  12  -4.377   5.667  -3.350
   59    HE3  LYS  12           1HE      LYS  12  -4.225   4.032  -3.993
   60    HZ1  LYS  12           3HZ      LYS  12  -5.650   4.644  -5.832
   61    HZ2  LYS  12           1HZ      LYS  12  -4.322   5.698  -5.749
   62    HZ3  LYS  12           2HZ      LYS  12  -5.848   6.207  -5.205
   63    H    ASP  13           H        ASP  13  -7.676   3.961   1.830
   64    HA   ASP  13           HA       ASP  13  -5.440   5.433   2.689
   65    HB2  ASP  13           2HB      ASP  13  -7.804   6.088   3.126
   66    HB3  ASP  13           1HB      ASP  13  -7.971   4.710   4.206
   67    H    LYS  14           H        LYS  14  -6.993   2.594   4.212
   68    HA   LYS  14           HA       LYS  14  -5.119   2.407   6.293
   69    HB2  LYS  14           2HB      LYS  14  -7.460   1.402   6.166
   70    HB3  LYS  14           1HB      LYS  14  -6.742   0.120   5.199
   71    HG2  LYS  14           2HG      LYS  14  -5.486  -0.688   6.962
   72    HG3  LYS  14           1HG      LYS  14  -5.600   0.828   7.851
   73    HD2  LYS  14           2HD      LYS  14  -8.059  -0.783   7.291
   74    HD3  LYS  14           1HD      LYS  14  -7.000  -1.220   8.629
   75    HE2  LYS  14           2HE      LYS  14  -8.770   0.183   9.457
   76    HE3  LYS  14           1HE      LYS  14  -7.251   1.070   9.532
   77    HZ1  LYS  14           3HZ      LYS  14  -9.245   1.374   7.351
   78    HZ2  LYS  14           1HZ      LYS  14  -7.868   2.331   7.617
   79    HZ3  LYS  14           2HZ      LYS  14  -9.166   2.382   8.707
   80    H    TYR  15           H        TYR  15  -5.336   0.855   3.106
   81    HA   TYR  15           HA       TYR  15  -3.061  -0.767   3.278
   82    HB2  TYR  15           2HB      TYR  15  -4.507  -0.924   1.337
   83    HB3  TYR  15           1HB      TYR  15  -4.152   0.748   0.896
   84    HD1  TYR  15           1HD      TYR  15  -2.884  -2.658   1.001
   85    HD2  TYR  15           2HD      TYR  15  -1.990   1.365  -0.123
   86    HE1  TYR  15           1HE      TYR  15  -0.955  -3.459  -0.293
   87    HE2  TYR  15           2HE      TYR  15  -0.066   0.553  -1.427
   88    HH   TYR  15           HH       TYR  15   1.410  -1.320  -1.547
   89    H    GLU  16           H        GLU  16  -3.432   2.576   2.249
   90    HA   GLU  16           HA       GLU  16  -0.858   3.232   1.683
   91    HB2  GLU  16           2HB      GLU  16  -3.240   4.645   2.660
   92    HB3  GLU  16           1HB      GLU  16  -1.718   5.484   2.755
   93    HG2  GLU  16           2HG      GLU  16  -1.903   4.205   0.242
   94    HG3  GLU  16           1HG      GLU  16  -3.343   5.158   0.537
   95    H    TRP  17           H        TRP  17  -2.370   3.033   4.942
   96    HA   TRP  17           HA       TRP  17   0.034   3.814   6.257
   97    HB2  TRP  17           2HB      TRP  17  -1.772   3.934   7.722
   98    HB3  TRP  17           1HB      TRP  17  -2.424   2.414   7.176
   99    HD1  TRP  17           HD       TRP  17   0.867   3.349   8.914
  100    HE1  TRP  17           1HE      TRP  17   1.290   1.664  10.803
  101    HE3  TRP  17           3HE      TRP  17  -3.035   0.485   8.088
  102    HZ2  TRP  17           2HZ      TRP  17  -0.015  -0.635  11.826
  103    HZ3  TRP  17           3HZ      TRP  17  -3.476  -1.479   9.535
  104    HH2  TRP  17           HH       TRP  17  -1.949  -2.019  11.356
  105    H    LEU  18           H        LEU  18  -1.374   0.736   5.235
  106    HA   LEU  18           HA       LEU  18   0.267  -0.972   6.614
  107    HB2  LEU  18           2HB      LEU  18  -1.107  -1.125   3.952
  108    HB3  LEU  18           1HB      LEU  18   0.139  -2.315   4.244
  109    HG   LEU  18           HG       LEU  18  -2.357  -2.902   4.747
  110   HD11  LEU  18          1HD1      LEU  18  -0.420  -4.327   5.276
  111   HD12  LEU  18          2HD1      LEU  18  -1.626  -4.374   6.563
  112   HD13  LEU  18          3HD1      LEU  18  -0.155  -3.424   6.768
  113   HD21  LEU  18          3HD2      LEU  18  -2.804  -0.919   6.096
  114   HD22  LEU  18          1HD2      LEU  18  -1.551  -1.393   7.241
  115   HD23  LEU  18          2HD2      LEU  18  -2.993  -2.390   7.051
  116    H    VAL  19           H        VAL  19   0.841   0.617   3.512
  117    HA   VAL  19           HA       VAL  19   3.458  -0.279   3.071
  118    HB   VAL  19           HB       VAL  19   2.140   2.302   2.202
  119   HG11  VAL  19          1HG1      VAL  19   4.576   2.608   2.277
  120   HG12  VAL  19          2HG1      VAL  19   3.989   2.542   0.616
  121   HG13  VAL  19          3HG1      VAL  19   4.785   1.139   1.325
  122   HG21  VAL  19          3HG2      VAL  19   2.859  -0.200   0.700
  123   HG22  VAL  19          1HG2      VAL  19   2.034   1.216   0.044
  124   HG23  VAL  19          2HG2      VAL  19   1.236   0.213   1.263
  125    H    SER  20           H        SER  20   2.376   2.729   4.751
  126    HA   SER  20           HA       SER  20   5.031   3.459   5.492
  127    HB2  SER  20           2HB      SER  20   3.901   4.977   7.139
  128    HB3  SER  20           1HB      SER  20   3.354   5.164   5.477
  129    HG   SER  20           HG       SER  20   1.870   3.321   6.778
  130    H    ARG  21           H        ARG  21   2.876   1.169   6.637
  131    HA   ARG  21           HA       ARG  21   3.755   0.994   9.306
  132    HB2  ARG  21           2HB      ARG  21   1.638   0.164   9.307
  133    HB3  ARG  21           1HB      ARG  21   1.701  -0.196   7.597
  134    HG2  ARG  21           2HG      ARG  21   2.819  -2.194   8.002
  135    HG3  ARG  21           1HG      ARG  21   3.025  -1.829   9.677
  136    HD2  ARG  21           2HD      ARG  21   0.649  -1.972  10.054
  137    HD3  ARG  21           1HD      ARG  21   0.368  -2.196   8.331
  138    HE   ARG  21           HE       ARG  21   2.083  -4.222   9.316
  139   HH11  ARG  21          1HH1      ARG  21  -1.265  -3.218   9.398
  140   HH12  ARG  21          2HH1      ARG  21  -1.884  -4.825   9.636
  141   HH21  ARG  21          1HH2      ARG  21   1.288  -6.334   9.634
  142   HH22  ARG  21          2HH2      ARG  21  -0.428  -6.595   9.744
  143    H    ILE  22           H        ILE  22   4.536  -0.539   6.332
  144    HA   ILE  22           HA       ILE  22   6.547  -2.213   7.662
  145    HB   ILE  22           HB       ILE  22   5.790  -2.351   4.765
  146   HG12  ILE  22          2HG1      ILE  22   3.918  -2.600   6.579
  147   HG13  ILE  22          1HG1      ILE  22   4.004  -3.703   5.238
  148   HG21  ILE  22          1HG2      ILE  22   6.585  -4.685   5.060
  149   HG22  ILE  22          2HG2      ILE  22   7.066  -4.272   6.703
  150   HG23  ILE  22          3HG2      ILE  22   7.839  -3.475   5.330
  151   HD11  ILE  22          3HD1      ILE  22   3.542  -4.891   7.283
  152   HD12  ILE  22          1HD1      ILE  22   4.986  -4.208   8.030
  153   HD13  ILE  22          2HD1      ILE  22   5.138  -5.333   6.681
  154    H    VAL  23           H        VAL  23   6.252  -0.380   4.648
  155    HA   VAL  23           HA       VAL  23   9.046  -0.024   4.217
  156    HB   VAL  23           HB       VAL  23   6.704   1.490   3.053
  157   HG11  VAL  23          1HG1      VAL  23   8.896   2.511   2.627
  158   HG12  VAL  23          2HG1      VAL  23   8.205   1.840   1.150
  159   HG13  VAL  23          3HG1      VAL  23   9.491   0.976   1.995
  160   HG21  VAL  23          3HG2      VAL  23   6.787  -0.158   1.240
  161   HG22  VAL  23          1HG2      VAL  23   6.361  -0.889   2.789
  162   HG23  VAL  23          2HG2      VAL  23   7.991  -1.079   2.143
  163    H    LYS  24           H        LYS  24  10.108   0.928   5.765
  164    HA   LYS  24           HA       LYS  24   9.286   3.624   6.629
  165    HB2  LYS  24           2HB      LYS  24   9.577   1.733   8.347
  166    HB3  LYS  24           1HB      LYS  24  11.283   1.908   8.011
  167    HG2  LYS  24           2HG      LYS  24  10.592   3.169   9.949
  168    HG3  LYS  24           1HG      LYS  24  11.271   4.185   8.700
  169    HD2  LYS  24           2HD      LYS  24   9.038   4.692   7.951
  170    HD3  LYS  24           1HD      LYS  24   8.378   3.762   9.297
  171    HE2  LYS  24           2HE      LYS  24   8.530   6.213   9.694
  172    HE3  LYS  24           1HE      LYS  24   9.341   5.233  10.898
  173    HZ1  LYS  24           3HZ      LYS  24  10.604   6.734   8.663
  174    HZ2  LYS  24           1HZ      LYS  24  11.440   5.702   9.722
  175    HZ3  LYS  24           2HZ      LYS  24  10.699   7.105  10.316
  176    H    ASN  25           H        ASN  25  10.548   5.256   6.033
  177    HA   ASN  25           HA       ASN  25  12.165   6.422   4.941
  178    HB2  ASN  25           2HB      ASN  25  13.425   4.931   6.912
  179    HB3  ASN  25           1HB      ASN  25  14.408   4.754   5.469
  180   HD21  ASN  25          1HD2      ASN  25  15.330   6.560   4.505
  181   HD22  ASN  25          2HD2      ASN  25  15.526   8.046   5.373
  182    H    HIS  26           H        HIS  26  11.073   3.758   3.639
  183    HA   HIS  26           HA       HIS  26  10.988   3.105   1.503
  184    HB2  HIS  26           2HB      HIS  26  11.649   4.496  -0.248
  185    HB3  HIS  26           1HB      HIS  26  11.337   5.593   1.073
  186    HD1  HIS  26           1HD      HIS  26  12.923   7.443   1.007
  187    HD2  HIS  26           2HD      HIS  26  14.722   3.908  -0.196
  188    HE1  HIS  26           1HE      HIS  26  15.309   8.040   0.473
  189    HE2  HIS  26           2HE      HIS  26  16.352   5.904  -0.360
  190    H    ASN  27           H        ASN  27  13.252   2.253   3.401
  191    HA   ASN  27           HA       ASN  27  15.299   1.424   1.529
  192    HB2  ASN  27           2HB      ASN  27  14.945   0.849   4.459
  193    HB3  ASN  27           1HB      ASN  27  16.333   0.383   3.516
  194   HD21  ASN  27          1HD2      ASN  27  16.261   2.950   2.027
  195   HD22  ASN  27          2HD2      ASN  27  16.855   4.088   3.158
  196    H    GLU  28           H        GLU  28  12.333   0.368   2.265
  197    HA   GLU  28           HA       GLU  28  12.682  -2.461   2.150
  198    HB2  GLU  28           2HB      GLU  28  10.365  -0.568   2.036
  199    HB3  GLU  28           1HB      GLU  28  10.142  -2.256   1.622
  200    HG2  GLU  28           2HG      GLU  28   9.566  -1.673   3.964
  201    HG3  GLU  28           1HG      GLU  28  10.750  -2.960   3.791
  202    H    ASN  29           H        ASN  29  11.277  -3.635   0.434
  203    HA   ASN  29           HA       ASN  29  11.517  -2.433  -2.233
  204    HB2  ASN  29           2HB      ASN  29  12.696  -5.033  -1.308
  205    HB3  ASN  29           1HB      ASN  29  12.121  -4.893  -2.965
  206   HD21  ASN  29          1HD2      ASN  29  14.493  -3.851  -0.653
  207   HD22  ASN  29          2HD2      ASN  29  15.563  -3.098  -1.789
  208    H    TRP  30           H        TRP  30   9.774  -2.832  -3.531
  209    HA   TRP  30           HA       TRP  30   7.341  -3.180  -2.386
  210    HB2  TRP  30           2HB      TRP  30   7.308  -2.188  -4.470
  211    HB3  TRP  30           1HB      TRP  30   8.198  -3.484  -5.221
  212    HD1  TRP  30           HD       TRP  30   6.775  -4.853  -6.680
  213    HE1  TRP  30           1HE      TRP  30   4.308  -5.624  -6.781
  214    HE3  TRP  30           3HE      TRP  30   5.151  -2.537  -2.506
  215    HZ2  TRP  30           2HZ      TRP  30   1.964  -5.246  -5.213
  216    HZ3  TRP  30           3HZ      TRP  30   2.807  -2.759  -1.849
  217    HH2  TRP  30           HH       TRP  30   1.235  -4.089  -3.170
  218    H    LEU  31           H        LEU  31   8.946  -5.766  -4.240
  219    HA   LEU  31           HA       LEU  31   6.817  -7.539  -4.109
  220    HB2  LEU  31           2HB      LEU  31   9.756  -7.944  -4.491
  221    HB3  LEU  31           1HB      LEU  31   8.585  -9.236  -4.635
  222    HG   LEU  31           HG       LEU  31   9.103  -8.440  -6.785
  223   HD11  LEU  31          1HD1      LEU  31   6.817  -9.099  -6.476
  224   HD12  LEU  31          2HD1      LEU  31   6.915  -7.777  -7.639
  225   HD13  LEU  31          3HD1      LEU  31   6.400  -7.457  -5.983
  226   HD21  LEU  31          3HD2      LEU  31   9.923  -6.206  -6.185
  227   HD22  LEU  31          1HD2      LEU  31   8.245  -5.687  -6.013
  228   HD23  LEU  31          2HD2      LEU  31   8.849  -6.208  -7.585
  229    H    SER  32           H        SER  32   9.821  -7.566  -2.239
  230    HA   SER  32           HA       SER  32   9.179  -9.569  -0.436
  231    HB2  SER  32           2HB      SER  32  10.932  -8.651   0.977
  232    HB3  SER  32           1HB      SER  32  11.401  -8.517  -0.698
  233    HG   SER  32           HG       SER  32  10.743  -6.332  -0.650
  234    H    VAL  33           H        VAL  33   8.479  -6.110  -0.229
  235    HA   VAL  33           HA       VAL  33   7.291  -6.221   2.346
  236    HB   VAL  33           HB       VAL  33   6.619  -4.265   0.125
  237   HG11  VAL  33          1HG1      VAL  33   4.983  -4.328   1.975
  238   HG12  VAL  33          2HG1      VAL  33   5.854  -2.797   1.873
  239   HG13  VAL  33          3HG1      VAL  33   6.295  -3.979   3.102
  240   HG21  VAL  33          3HG2      VAL  33   9.001  -4.287   0.621
  241   HG22  VAL  33          1HG2      VAL  33   8.648  -4.060   2.335
  242   HG23  VAL  33          2HG2      VAL  33   8.240  -2.795   1.174
  243    H    SER  34           H        SER  34   6.021  -6.813  -0.888
  244    HA   SER  34           HA       SER  34   3.304  -7.102  -0.086
  245    HB2  SER  34           2HB      SER  34   3.830  -6.726  -2.424
  246    HB3  SER  34           1HB      SER  34   4.815  -8.183  -2.487
  247    HG   SER  34           HG       SER  34   2.815  -9.331  -1.950
  248    H    ARG  35           H        ARG  35   6.070  -9.300  -0.219
  249    HA   ARG  35           HA       ARG  35   4.955 -11.732   0.400
  250    HB2  ARG  35           2HB      ARG  35   7.410 -10.464   1.586
  251    HB3  ARG  35           1HB      ARG  35   7.054 -12.150   1.490
  252    HG2  ARG  35           2HG      ARG  35   7.291 -10.500  -0.898
  253    HG3  ARG  35           1HG      ARG  35   8.654 -11.276  -0.143
  254    HD2  ARG  35           2HD      ARG  35   7.404 -13.430  -0.342
  255    HD3  ARG  35           1HD      ARG  35   6.236 -12.538  -1.310
  256    HE   ARG  35           HE       ARG  35   7.815 -12.337  -3.036
  257   HH11  ARG  35          1HH1      ARG  35   9.052 -14.096  -0.275
  258   HH12  ARG  35          2HH1      ARG  35  10.391 -14.790  -1.137
  259   HH21  ARG  35          1HH2      ARG  35   9.585 -13.255  -4.191
  260   HH22  ARG  35          2HH2      ARG  35  10.699 -14.298  -3.360
  261    H    LYS  36           H        LYS  36   6.219  -9.307   2.521
  262    HA   LYS  36           HA       LYS  36   5.329 -10.128   4.996
  263    HB2  LYS  36           2HB      LYS  36   5.641  -7.317   3.947
  264    HB3  LYS  36           1HB      LYS  36   5.716  -7.802   5.619
  265    HG2  LYS  36           2HG      LYS  36   7.619  -9.234   5.013
  266    HG3  LYS  36           1HG      LYS  36   7.633  -8.482   3.448
  267    HD2  LYS  36           2HD      LYS  36   8.012  -6.353   4.495
  268    HD3  LYS  36           1HD      LYS  36   7.968  -7.085   6.090
  269    HE2  LYS  36           2HE      LYS  36   9.893  -8.485   5.451
  270    HE3  LYS  36           1HE      LYS  36   9.959  -7.653   3.900
  271    HZ1  LYS  36           3HZ      LYS  36  11.528  -6.849   5.667
  272    HZ2  LYS  36           1HZ      LYS  36  10.185  -6.220   6.487
  273    HZ3  LYS  36           2HZ      LYS  36  10.583  -5.653   4.938
  274    H    MET  37           H        MET  37   3.986  -7.607   3.035
  275    HA   MET  37           HA       MET  37   1.796  -6.943   4.597
  276    HB2  MET  37           2HB      MET  37   2.650  -6.398   1.839
  277    HB3  MET  37           1HB      MET  37   0.944  -6.151   2.156
  278    HG2  MET  37           2HG      MET  37   1.669  -4.750   4.142
  279    HG3  MET  37           1HG      MET  37   3.297  -4.814   3.463
  280    HE1  MET  37           3HE      MET  37   2.574  -3.143  -0.091
  281    HE2  MET  37           1HE      MET  37   2.363  -4.853   0.285
  282    HE3  MET  37           2HE      MET  37   3.779  -3.986   0.882
  283    H    GLN  38           H        GLN  38   1.930  -9.536   2.207
  284    HA   GLN  38           HA       GLN  38  -0.829  -9.667   1.681
  285    HB2  GLN  38           2HB      GLN  38  -0.415 -11.860   0.794
  286    HB3  GLN  38           1HB      GLN  38   0.853 -10.769   0.282
  287    HG2  GLN  38           2HG      GLN  38   2.077 -12.606   0.838
  288    HG3  GLN  38           1HG      GLN  38   2.090 -11.747   2.361
  289   HE21  GLN  38          1HE2      GLN  38  -0.714 -13.424   1.182
  290   HE22  GLN  38          2HE2      GLN  38  -0.677 -14.665   2.373
  291    H    ALA  39           H        ALA  39   0.996 -10.679   4.376
  292    HA   ALA  39           HA       ALA  39  -0.932 -12.527   5.410
  293    HB1  ALA  39           1HB      ALA  39   0.433 -12.559   7.398
  294    HB2  ALA  39           2HB      ALA  39   1.300 -11.119   6.865
  295    HB3  ALA  39           3HB      ALA  39   1.468 -12.631   5.969
  296    H    SER  40           H        SER  40  -1.346  -9.416   4.859
  297    HA   SER  40           HA       SER  40  -2.923  -8.960   7.281
  298    HB2  SER  40           2HB      SER  40  -1.531  -6.813   5.667
  299    HB3  SER  40           1HB      SER  40  -2.377  -6.622   7.200
  300    HG   SER  40           HG       SER  40  -0.291  -8.461   7.122
  301    HA   PRO  41           HA       PRO  41  -6.400  -8.903   4.590
  302    HB2  PRO  41           2HB      PRO  41  -7.864  -7.238   6.286
  303    HB3  PRO  41           1HB      PRO  41  -7.852  -8.986   6.296
  304    HG2  PRO  41           2HG      PRO  41  -6.469  -7.109   8.051
  305    HG3  PRO  41           1HG      PRO  41  -7.016  -8.750   8.373
  306    HD2  PRO  41           2HD      PRO  41  -4.408  -8.098   8.010
  307    HD3  PRO  41           1HD      PRO  41  -5.066  -9.689   7.591
  308    H    GLU  42           H        GLU  42  -5.188  -6.025   6.040
  309    HA   GLU  42           HA       GLU  42  -6.479  -4.130   4.548
  310    HB2  GLU  42           2HB      GLU  42  -3.747  -4.149   5.747
  311    HB3  GLU  42           1HB      GLU  42  -4.375  -2.735   4.916
  312    HG2  GLU  42           2HG      GLU  42  -4.627  -2.623   7.356
  313    HG3  GLU  42           1HG      GLU  42  -6.155  -2.523   6.492
  314    H    TYR  43           H        TYR  43  -3.314  -5.508   3.810
  315    HA   TYR  43           HA       TYR  43  -3.000  -4.319   1.300
  316    HB2  TYR  43           2HB      TYR  43  -1.046  -5.216   2.138
  317    HB3  TYR  43           1HB      TYR  43  -1.832  -6.682   2.693
  318    HD1  TYR  43           2HD      TYR  43  -2.330  -8.516   1.033
  319    HD2  TYR  43           1HD      TYR  43  -0.076  -5.055  -0.031
  320    HE1  TYR  43           2HE      TYR  43  -1.478  -9.685  -0.951
  321    HE2  TYR  43           1HE      TYR  43   0.772  -6.220  -2.027
  322    HH   TYR  43           HH       TYR  43   1.106  -8.498  -2.827
  323    H    GLN  44           H        GLN  44  -4.344  -7.445   2.238
  324    HA   GLN  44           HA       GLN  44  -4.862  -8.534  -0.262
  325    HB2  GLN  44           2HB      GLN  44  -6.454  -8.750   2.288
  326    HB3  GLN  44           1HB      GLN  44  -6.668  -9.789   0.886
  327    HG2  GLN  44           2HG      GLN  44  -4.112  -9.519   2.415
  328    HG3  GLN  44           1HG      GLN  44  -5.333 -10.749   2.694
  329   HE21  GLN  44          1HE2      GLN  44  -5.943 -10.869  -0.184
  330   HE22  GLN  44          2HE2      GLN  44  -4.649 -11.769  -0.887
  331    H    ASP  45           H        ASP  45  -7.225  -7.082   1.850
  332    HA   ASP  45           HA       ASP  45  -9.390  -6.805   0.253
  333    HB2  ASP  45           2HB      ASP  45  -9.215  -6.146   2.654
  334    HB3  ASP  45           1HB      ASP  45  -8.449  -4.648   2.140
  335    H    TYR  46           H        TYR  46  -6.769  -4.423   0.409
  336    HA   TYR  46           HA       TYR  46  -7.918  -2.703  -1.537
  337    HB2  TYR  46           2HB      TYR  46  -6.312  -1.808   0.035
  338    HB3  TYR  46           1HB      TYR  46  -5.069  -2.900  -0.574
  339    HD1  TYR  46           2HD      TYR  46  -7.280  -0.094  -1.599
  340    HD2  TYR  46           1HD      TYR  46  -3.691  -2.249  -2.355
  341    HE1  TYR  46           2HE      TYR  46  -6.630   1.586  -3.267
  342    HE2  TYR  46           1HE      TYR  46  -3.035  -0.577  -4.034
  343    HH   TYR  46           HH       TYR  46  -4.127   1.100  -5.488
  344    H    VAL  47           H        VAL  47  -5.519  -5.263  -1.766
  345    HA   VAL  47           HA       VAL  47  -5.043  -4.697  -4.505
  346    HB   VAL  47           HB       VAL  47  -4.290  -7.068  -2.802
  347   HG11  VAL  47          1HG1      VAL  47  -4.453  -7.845  -5.096
  348   HG12  VAL  47          2HG1      VAL  47  -2.761  -7.743  -4.606
  349   HG13  VAL  47          3HG1      VAL  47  -3.456  -6.496  -5.641
  350   HG21  VAL  47          3HG2      VAL  47  -2.038  -6.117  -2.937
  351   HG22  VAL  47          1HG2      VAL  47  -3.185  -4.983  -2.223
  352   HG23  VAL  47          2HG2      VAL  47  -2.668  -4.776  -3.896
  353    H    TYR  48           H        TYR  48  -7.357  -6.510  -2.768
  354    HA   TYR  48           HA       TYR  48  -8.238  -8.235  -4.833
  355    HB2  TYR  48           2HB      TYR  48  -8.866  -8.845  -2.678
  356    HB3  TYR  48           1HB      TYR  48  -9.296  -7.209  -2.226
  357    HD1  TYR  48           1HD      TYR  48 -10.401 -10.158  -4.140
  358    HD2  TYR  48           2HD      TYR  48 -11.433  -6.394  -2.500
  359    HE1  TYR  48           1HE      TYR  48 -12.782 -10.653  -4.560
  360    HE2  TYR  48           2HE      TYR  48 -13.834  -6.868  -2.902
  361    HH   TYR  48           HH       TYR  48 -14.999  -9.929  -3.642
  362    H    LEU  49           H        LEU  49  -9.488  -5.201  -3.505
  363    HA   LEU  49           HA       LEU  49 -11.473  -4.711  -5.433
  364    HB2  LEU  49           2HB      LEU  49  -9.856  -2.580  -4.068
  365    HB3  LEU  49           1HB      LEU  49 -11.496  -2.448  -4.664
  366    HG   LEU  49           HG       LEU  49 -10.651  -4.190  -2.374
  367   HD11  LEU  49          1HD1      LEU  49 -11.894  -1.443  -2.366
  368   HD12  LEU  49          2HD1      LEU  49 -10.272  -1.863  -1.815
  369   HD13  LEU  49          3HD1      LEU  49 -11.683  -2.467  -0.946
  370   HD21  LEU  49          3HD2      LEU  49 -12.709  -4.897  -3.521
  371   HD22  LEU  49          1HD2      LEU  49 -13.386  -3.284  -3.283
  372   HD23  LEU  49          2HD2      LEU  49 -13.036  -4.310  -1.890
  373    H    GLU  50           H        GLU  50  -8.344  -3.119  -5.106
  374    HA   GLU  50           HA       GLU  50  -8.534  -2.108  -7.817
  375    HB2  GLU  50           2HB      GLU  50  -6.508  -1.693  -5.628
  376    HB3  GLU  50           1HB      GLU  50  -6.330  -1.006  -7.238
  377    HG2  GLU  50           2HG      GLU  50  -8.648  -0.509  -5.389
  378    HG3  GLU  50           1HG      GLU  50  -7.281   0.578  -5.622
  379    H    GLY  51           H        GLY  51  -5.623  -3.420  -6.274
  380    HA2  GLY  51           2HA      GLY  51  -5.184  -5.735  -7.576
  381    HA3  GLY  51           1HA      GLY  51  -4.826  -4.546  -8.819
  382    H    THR  52           H        THR  52  -2.812  -6.107  -8.251
  383    HA   THR  52           HA       THR  52  -1.232  -5.271  -6.029
  384    HB   THR  52           HB       THR  52  -0.163  -6.745  -8.420
  385    HG1  THR  52           1HG      THR  52  -1.631  -7.980  -6.312
  386   HG21  THR  52          3HG2      THR  52   0.293  -6.957  -5.448
  387   HG22  THR  52          1HG2      THR  52   1.388  -6.241  -6.628
  388   HG23  THR  52          2HG2      THR  52   1.062  -7.973  -6.667
  389    H    GLN  53           H        GLN  53  -1.600  -4.280  -9.329
  390    HA   GLN  53           HA       GLN  53   0.966  -3.135  -9.683
  391    HB2  GLN  53           2HB      GLN  53  -1.618  -2.608 -11.126
  392    HB3  GLN  53           1HB      GLN  53  -0.023  -2.114 -11.664
  393    HG2  GLN  53           2HG      GLN  53  -0.900  -4.949 -11.247
  394    HG3  GLN  53           1HG      GLN  53  -0.829  -4.109 -12.781
  395   HE21  GLN  53          1HE2      GLN  53   1.613  -2.693 -12.172
  396   HE22  GLN  53          2HE2      GLN  53   2.889  -3.858 -12.274
  397    H    LYS  54           H        LYS  54  -2.237  -1.677  -9.185
  398    HA   LYS  54           HA       LYS  54  -1.396   0.939  -8.794
  399    HB2  LYS  54           2HB      LYS  54  -3.706  -0.405  -7.545
  400    HB3  LYS  54           1HB      LYS  54  -3.487   1.313  -7.660
  401    HG2  LYS  54           2HG      LYS  54  -3.372   0.976 -10.134
  402    HG3  LYS  54           1HG      LYS  54  -3.993  -0.626  -9.815
  403    HD2  LYS  54           2HD      LYS  54  -5.868   0.462  -8.543
  404    HD3  LYS  54           1HD      LYS  54  -5.292   1.994  -9.200
  405    HE2  LYS  54           2HE      LYS  54  -5.647   1.182 -11.464
  406    HE3  LYS  54           1HE      LYS  54  -6.163  -0.382 -10.835
  407    HZ1  LYS  54           3HZ      LYS  54  -7.588   2.187 -10.835
  408    HZ2  LYS  54           1HZ      LYS  54  -7.891   1.094  -9.570
  409    HZ3  LYS  54           2HZ      LYS  54  -8.163   0.628 -11.177
  410    H    ALA  55           H        ALA  55  -1.547  -1.732  -6.606
  411    HA   ALA  55           HA       ALA  55  -1.005  -0.300  -4.185
  412    HB1  ALA  55           1HB      ALA  55  -0.520  -2.509  -3.256
  413    HB2  ALA  55           2HB      ALA  55  -0.519  -3.208  -4.874
  414    HB3  ALA  55           3HB      ALA  55  -2.007  -2.539  -4.205
  415    H    LYS  56           H        LYS  56   1.127  -2.094  -6.486
  416    HA   LYS  56           HA       LYS  56   3.532  -1.496  -5.252
  417    HB2  LYS  56           2HB      LYS  56   3.250  -3.051  -7.144
  418    HB3  LYS  56           1HB      LYS  56   2.957  -1.697  -8.215
  419    HG2  LYS  56           2HG      LYS  56   5.176  -0.849  -7.796
  420    HG3  LYS  56           1HG      LYS  56   5.432  -2.170  -6.654
  421    HD2  LYS  56           2HD      LYS  56   5.192  -3.791  -8.399
  422    HD3  LYS  56           1HD      LYS  56   4.809  -2.551  -9.558
  423    HE2  LYS  56           2HE      LYS  56   7.068  -1.551  -9.107
  424    HE3  LYS  56           1HE      LYS  56   7.433  -3.008  -8.184
  425    HZ1  LYS  56           3HZ      LYS  56   8.238  -3.111 -10.484
  426    HZ2  LYS  56           1HZ      LYS  56   6.645  -2.975 -11.050
  427    HZ3  LYS  56           2HZ      LYS  56   7.117  -4.335 -10.148
  428    H    LYS  57           H        LYS  57   1.804   0.303  -7.796
  429    HA   LYS  57           HA       LYS  57   3.306   2.564  -8.039
  430    HB2  LYS  57           2HB      LYS  57   0.988   1.620  -8.964
  431    HB3  LYS  57           1HB      LYS  57   0.346   2.749  -7.781
  432    HG2  LYS  57           2HG      LYS  57   0.868   4.500  -8.994
  433    HG3  LYS  57           1HG      LYS  57   2.430   3.852  -9.486
  434    HD2  LYS  57           2HD      LYS  57   1.312   2.424 -11.081
  435    HD3  LYS  57           1HD      LYS  57  -0.260   3.054 -10.599
  436    HE2  LYS  57           2HE      LYS  57   0.924   5.318 -11.160
  437    HE3  LYS  57           1HE      LYS  57   1.909   4.301 -12.192
  438    HZ1  LYS  57           3HZ      LYS  57  -0.074   5.263 -13.307
  439    HZ2  LYS  57           1HZ      LYS  57  -1.062   4.357 -12.270
  440    HZ3  LYS  57           2HZ      LYS  57  -0.024   3.569 -13.360
  441    H    LEU  58           H        LEU  58   0.808   1.815  -5.668
  442    HA   LEU  58           HA       LEU  58   0.802   4.226  -4.249
  443    HB2  LEU  58           2HB      LEU  58  -0.894   2.337  -4.203
  444    HB3  LEU  58           1HB      LEU  58   0.216   1.468  -3.174
  445    HG   LEU  58           HG       LEU  58  -0.278   2.700  -1.362
  446   HD11  LEU  58          1HD1      LEU  58   0.464   4.862  -2.265
  447   HD12  LEU  58          2HD1      LEU  58  -1.058   5.041  -1.394
  448   HD13  LEU  58          3HD1      LEU  58  -1.050   5.012  -3.157
  449   HD21  LEU  58          3HD2      LEU  58  -2.717   3.098  -3.078
  450   HD22  LEU  58          1HD2      LEU  58  -2.678   3.224  -1.320
  451   HD23  LEU  58          2HD2      LEU  58  -2.341   1.679  -2.102
  452    H    PHE  59           H        PHE  59   2.525   1.183  -3.661
  453    HA   PHE  59           HA       PHE  59   4.112   1.886  -1.509
  454    HB2  PHE  59           2HB      PHE  59   4.192  -0.363  -2.218
  455    HB3  PHE  59           1HB      PHE  59   4.576   0.068  -3.873
  456    HD1  PHE  59           2HD      PHE  59   5.954   0.073  -0.435
  457    HD2  PHE  59           1HD      PHE  59   6.823   0.030  -4.609
  458    HE1  PHE  59           2HE      PHE  59   8.330  -0.306   0.059
  459    HE2  PHE  59           1HE      PHE  59   9.198  -0.332  -4.108
  460    HZ   PHE  59           HZ       PHE  59   9.955  -0.503  -1.774
  461    H    LEU  60           H        LEU  60   4.800   2.345  -4.959
  462    HA   LEU  60           HA       LEU  60   7.282   3.574  -4.832
  463    HB2  LEU  60           2HB      LEU  60   5.012   3.652  -6.738
  464    HB3  LEU  60           1HB      LEU  60   6.256   4.853  -6.924
  465    HG   LEU  60           HG       LEU  60   6.508   2.947  -8.372
  466   HD11  LEU  60          1HD1      LEU  60   8.873   2.569  -8.000
  467   HD12  LEU  60          2HD1      LEU  60   8.707   3.074  -6.320
  468   HD13  LEU  60          3HD1      LEU  60   8.480   4.248  -7.620
  469   HD21  LEU  60          3HD2      LEU  60   7.259   0.786  -7.481
  470   HD22  LEU  60          1HD2      LEU  60   5.605   1.188  -7.018
  471   HD23  LEU  60          2HD2      LEU  60   6.916   1.374  -5.853
  472    H    GLN  61           H        GLN  61   4.129   5.204  -5.005
  473    HA   GLN  61           HA       GLN  61   4.958   7.828  -4.775
  474    HB2  GLN  61           2HB      GLN  61   2.494   6.639  -3.490
  475    HB3  GLN  61           1HB      GLN  61   2.737   8.318  -3.937
  476    HG2  GLN  61           2HG      GLN  61   2.922   7.613  -6.273
  477    HG3  GLN  61           1HG      GLN  61   2.495   5.977  -5.796
  478   HE21  GLN  61          1HE2      GLN  61   1.522   9.182  -6.322
  479   HE22  GLN  61          2HE2      GLN  61  -0.174   8.917  -6.218
  480    H    HIS  62           H        HIS  62   3.920   5.722  -2.156
  481    HA   HIS  62           HA       HIS  62   4.600   7.420  -0.025
  482    HB2  HIS  62           2HB      HIS  62   3.336   5.250   0.218
  483    HB3  HIS  62           1HB      HIS  62   4.855   4.407   0.015
  484    HD1  HIS  62           1HD      HIS  62   5.990   3.869   2.081
  485    HD2  HIS  62           2HD      HIS  62   3.514   7.167   2.518
  486    HE1  HIS  62           1HE      HIS  62   6.064   4.462   4.492
  487    HE2  HIS  62           2HE      HIS  62   4.769   6.594   4.710
  488    H    ILE  63           H        ILE  63   6.558   5.049  -1.754
  489    HA   ILE  63           HA       ILE  63   8.926   5.233  -0.355
  490    HB   ILE  63           HB       ILE  63   8.403   4.907  -3.279
  491   HG12  ILE  63          2HG1      ILE  63   7.826   3.114  -1.675
  492   HG13  ILE  63          1HG1      ILE  63   9.066   2.649  -2.807
  493   HG21  ILE  63          1HG2      ILE  63  11.104   4.827  -1.931
  494   HG22  ILE  63          2HG2      ILE  63  10.563   6.040  -3.091
  495   HG23  ILE  63          3HG2      ILE  63  10.764   4.364  -3.599
  496   HD11  ILE  63          3HD1      ILE  63  10.776   2.962  -1.145
  497   HD12  ILE  63          1HD1      ILE  63   9.539   1.847  -0.567
  498   HD13  ILE  63          2HD1      ILE  63   9.560   3.516   0.006
  499    H    HIS  64           H        HIS  64   7.701   7.372  -2.878
  500    HA   HIS  64           HA       HIS  64   9.890   9.201  -2.926
  501    HB2  HIS  64           2HB      HIS  64   8.297   9.231  -4.722
  502    HB3  HIS  64           1HB      HIS  64   6.966   9.414  -3.628
  503    HD1  HIS  64           1HD      HIS  64   7.407  11.642  -2.096
  504    HD2  HIS  64           2HD      HIS  64   8.733  11.586  -6.007
  505    HE1  HIS  64           1HE      HIS  64   7.778  14.073  -2.713
  506    HE2  HIS  64           2HE      HIS  64   8.328  14.015  -5.188
  507    H    ARG  65           H        ARG  65   6.847   9.081  -1.178
  508    HA   ARG  65           HA       ARG  65   7.068  11.470   0.156
  509    HB2  ARG  65           2HB      ARG  65   5.811   8.961   1.023
  510    HB3  ARG  65           1HB      ARG  65   5.520  10.531   1.698
  511    HG2  ARG  65           2HG      ARG  65   4.854  11.313  -0.534
  512    HG3  ARG  65           1HG      ARG  65   4.918   9.638  -1.057
  513    HD2  ARG  65           2HD      ARG  65   3.465   9.429   1.196
  514    HD3  ARG  65           1HD      ARG  65   2.984  11.027   0.648
  515    HE   ARG  65           HE       ARG  65   2.534   9.772  -1.568
  516   HH11  ARG  65          1HH1      ARG  65   2.041   8.521   1.663
  517   HH12  ARG  65          2HH1      ARG  65   0.741   7.454   1.187
  518   HH21  ARG  65          1HH2      ARG  65   0.784   8.396  -2.171
  519   HH22  ARG  65          2HH2      ARG  65   0.036   7.397  -0.955
  520    H    LEU  66           H        LEU  66   8.003   8.270   1.216
  521    HA   LEU  66           HA       LEU  66   9.389   8.762   3.565
  522    HB2  LEU  66           2HB      LEU  66  10.024   6.868   1.319
  523    HB3  LEU  66           1HB      LEU  66  10.692   6.730   2.914
  524    HG   LEU  66           HG       LEU  66   7.765   6.691   2.379
  525   HD11  LEU  66          1HD1      LEU  66   8.767   4.868   1.123
  526   HD12  LEU  66          2HD1      LEU  66   7.916   4.238   2.533
  527   HD13  LEU  66          3HD1      LEU  66   9.675   4.366   2.549
  528   HD21  LEU  66          3HD2      LEU  66   7.743   5.562   4.566
  529   HD22  LEU  66          1HD2      LEU  66   8.424   7.187   4.642
  530   HD23  LEU  66          2HD2      LEU  66   9.490   5.785   4.660
  531    H    LYS  67           H        LYS  67  10.492   8.811   0.272
  532    HA   LYS  67           HA       LYS  67  13.136   9.567   0.589
  533    HB2  LYS  67           2HB      LYS  67  11.102  10.022  -1.581
  534    HB3  LYS  67           1HB      LYS  67  12.774  10.451  -1.756
  535    HG2  LYS  67           2HG      LYS  67  13.303   8.115  -1.131
  536    HG3  LYS  67           1HG      LYS  67  11.621   7.753  -1.423
  537    HD2  LYS  67           2HD      LYS  67  13.728   8.616  -3.308
  538    HD3  LYS  67           1HD      LYS  67  12.657   7.238  -3.431
  539    HE2  LYS  67           2HE      LYS  67  10.792   8.968  -3.627
  540    HE3  LYS  67           1HE      LYS  67  12.079  10.128  -3.948
  541    HZ1  LYS  67           3HZ      LYS  67  12.822   8.726  -5.798
  542    HZ2  LYS  67           1HZ      LYS  67  11.223   9.250  -6.015
  543    HZ3  LYS  67           2HZ      LYS  67  11.532   7.659  -5.524
  544    H    HIS  68           H        HIS  68  10.300  11.595   0.055
  545    HA   HIS  68           HA       HIS  68  11.182  13.768   1.504
  546    HB2  HIS  68           2HB      HIS  68  11.503  15.324  -0.438
  547    HB3  HIS  68           1HB      HIS  68  12.829  14.241  -0.104
  548    HD1  HIS  68           1HD      HIS  68  10.635  12.136  -1.709
  549    HD2  HIS  68           2HD      HIS  68  12.944  15.315  -3.039
  550    HE1  HIS  68           1HE      HIS  68  10.949  11.760  -4.184
  551    HE2  HIS  68           2HE      HIS  68  12.488  13.607  -4.930
  552    H    GLU  69           H        GLU  69   9.146  13.897   2.254
  553    HA   GLU  69           HA       GLU  69   6.973  14.265   0.321
  554    HB2  GLU  69           2HB      GLU  69   7.049  12.748   2.561
  555    HB3  GLU  69           1HB      GLU  69   6.334  14.218   3.183
  556    HG2  GLU  69           2HG      GLU  69   4.845  13.919   1.038
  557    HG3  GLU  69           1HG      GLU  69   5.285  12.239   1.272
  Start of MODEL   15
    1    H    SER   5           H        SER   5 -21.066   4.835   0.784
    2    HA   SER   5           HA       SER   5 -18.956   4.528   0.058
    3    HB2  SER   5           2HB      SER   5 -19.030   6.914  -0.489
    4    HB3  SER   5           1HB      SER   5 -18.495   7.315   1.143
    5    HG   SER   5           HG       SER   5 -16.871   7.141  -0.693
    6    H    GLN   6           H        GLN   6 -18.555   2.840   1.504
    7    HA   GLN   6           HA       GLN   6 -16.495   3.549   3.459
    8    HB2  GLN   6           2HB      GLN   6 -17.250   1.478   4.720
    9    HB3  GLN   6           1HB      GLN   6 -18.319   2.867   4.809
   10    HG2  GLN   6           2HG      GLN   6 -19.774   1.870   3.140
   11    HG3  GLN   6           1HG      GLN   6 -18.681   0.495   2.991
   12   HE21  GLN   6          1HE2      GLN   6 -21.046   2.085   4.990
   13   HE22  GLN   6          2HE2      GLN   6 -21.313   0.754   6.072
   14    H    GLN   7           H        GLN   7 -14.733   2.214   3.549
   15    HA   GLN   7           HA       GLN   7 -13.115   0.824   2.807
   16    HB2  GLN   7           2HB      GLN   7 -14.984  -0.894   2.762
   17    HB3  GLN   7           1HB      GLN   7 -15.059  -0.613   1.036
   18    HG2  GLN   7           2HG      GLN   7 -13.686  -2.484   1.407
   19    HG3  GLN   7           1HG      GLN   7 -12.657  -1.151   0.954
   20   HE21  GLN   7          1HE2      GLN   7 -11.824  -3.501   2.275
   21   HE22  GLN   7          2HE2      GLN   7 -11.214  -3.026   3.827
   22    H    ILE   8           H        ILE   8 -15.261   2.256   0.494
   23    HA   ILE   8           HA       ILE   8 -13.825   2.086  -1.847
   24    HB   ILE   8           HB       ILE   8 -15.465   4.401  -0.858
   25   HG12  ILE   8          2HG1      ILE   8 -16.177   2.079  -2.598
   26   HG13  ILE   8          1HG1      ILE   8 -16.694   2.310  -0.941
   27   HG21  ILE   8          1HG2      ILE   8 -14.022   5.122  -2.669
   28   HG22  ILE   8          2HG2      ILE   8 -15.702   5.052  -3.199
   29   HG23  ILE   8          3HG2      ILE   8 -14.579   3.773  -3.661
   30   HD11  ILE   8          3HD1      ILE   8 -17.443   4.007  -3.310
   31   HD12  ILE   8          1HD1      ILE   8 -17.909   4.332  -1.641
   32   HD13  ILE   8          2HD1      ILE   8 -18.482   2.873  -2.448
   33    H    ALA   9           H        ALA   9 -13.371   4.222   0.853
   34    HA   ALA   9           HA       ALA   9 -10.973   5.324  -0.468
   35    HB1  ALA   9           1HB      ALA   9 -11.192   7.280   0.966
   36    HB2  ALA   9           2HB      ALA   9 -12.609   6.564   1.735
   37    HB3  ALA   9           3HB      ALA   9 -12.665   7.017   0.031
   38    H    THR  10           H        THR  10 -12.245   3.953   2.459
   39    HA   THR  10           HA       THR  10  -9.963   4.418   4.051
   40    HB   THR  10           HB       THR  10 -11.104   2.682   5.552
   41    HG1  THR  10           1HG      THR  10 -13.094   2.032   4.963
   42   HG21  THR  10          3HG2      THR  10 -12.551   5.224   4.819
   43   HG22  THR  10          1HG2      THR  10 -11.134   5.126   5.866
   44   HG23  THR  10          2HG2      THR  10 -12.650   4.369   6.360
   45    H    ALA  11           H        ALA  11 -10.872   1.746   1.944
   46    HA   ALA  11           HA       ALA  11  -9.014  -0.115   2.991
   47    HB1  ALA  11           1HB      ALA  11  -9.194  -1.292   0.884
   48    HB2  ALA  11           2HB      ALA  11  -9.932   0.118   0.124
   49    HB3  ALA  11           3HB      ALA  11 -10.793  -0.751   1.396
   50    H    LYS  12           H        LYS  12  -8.778   2.301   0.407
   51    HA   LYS  12           HA       LYS  12  -6.062   1.826  -0.183
   52    HB2  LYS  12           2HB      LYS  12  -7.547   3.088  -1.700
   53    HB3  LYS  12           1HB      LYS  12  -7.627   4.393  -0.524
   54    HG2  LYS  12           2HG      LYS  12  -5.340   4.914  -0.799
   55    HG3  LYS  12           1HG      LYS  12  -5.039   3.433  -1.706
   56    HD2  LYS  12           2HD      LYS  12  -6.458   4.272  -3.524
   57    HD3  LYS  12           1HD      LYS  12  -6.731   5.760  -2.613
   58    HE2  LYS  12           2HE      LYS  12  -3.981   4.796  -3.338
   59    HE3  LYS  12           1HE      LYS  12  -4.922   5.822  -4.411
   60    HZ1  LYS  12           3HZ      LYS  12  -3.545   7.234  -3.160
   61    HZ2  LYS  12           1HZ      LYS  12  -3.924   6.469  -1.693
   62    HZ3  LYS  12           2HZ      LYS  12  -5.092   7.404  -2.488
   63    H    ASP  13           H        ASP  13  -7.607   4.369   1.756
   64    HA   ASP  13           HA       ASP  13  -5.375   5.640   2.782
   65    HB2  ASP  13           2HB      ASP  13  -7.606   6.492   3.186
   66    HB3  ASP  13           1HB      ASP  13  -8.066   5.042   4.072
   67    H    LYS  14           H        LYS  14  -6.961   2.718   4.122
   68    HA   LYS  14           HA       LYS  14  -5.163   2.612   6.301
   69    HB2  LYS  14           2HB      LYS  14  -7.547   1.704   6.147
   70    HB3  LYS  14           1HB      LYS  14  -6.842   0.343   5.283
   71    HG2  LYS  14           2HG      LYS  14  -5.533  -0.262   7.109
   72    HG3  LYS  14           1HG      LYS  14  -5.891   1.225   7.980
   73    HD2  LYS  14           2HD      LYS  14  -7.880  -0.930   7.276
   74    HD3  LYS  14           1HD      LYS  14  -7.167  -0.679   8.870
   75    HE2  LYS  14           2HE      LYS  14  -8.982   1.203   7.362
   76    HE3  LYS  14           1HE      LYS  14  -9.369   0.296   8.822
   77    HZ1  LYS  14           3HZ      LYS  14  -7.604   1.584   9.971
   78    HZ2  LYS  14           1HZ      LYS  14  -8.892   2.545   9.423
   79    HZ3  LYS  14           2HZ      LYS  14  -7.423   2.534   8.577
   80    H    TYR  15           H        TYR  15  -5.431   0.918   3.183
   81    HA   TYR  15           HA       TYR  15  -3.181  -0.728   3.365
   82    HB2  TYR  15           2HB      TYR  15  -4.623  -0.854   1.413
   83    HB3  TYR  15           1HB      TYR  15  -4.240   0.809   0.976
   84    HD1  TYR  15           1HD      TYR  15  -3.029  -2.625   1.088
   85    HD2  TYR  15           2HD      TYR  15  -2.084   1.378  -0.119
   86    HE1  TYR  15           1HE      TYR  15  -1.135  -3.472  -0.218
   87    HE2  TYR  15           2HE      TYR  15  -0.195   0.508  -1.434
   88    HH   TYR  15           HH       TYR  15   1.271  -1.437  -1.482
   89    H    GLU  16           H        GLU  16  -3.521   2.642   2.538
   90    HA   GLU  16           HA       GLU  16  -0.888   3.202   1.882
   91    HB2  GLU  16           2HB      GLU  16  -3.153   4.855   2.948
   92    HB3  GLU  16           1HB      GLU  16  -1.597   5.543   2.597
   93    HG2  GLU  16           2HG      GLU  16  -2.160   4.131   0.321
   94    HG3  GLU  16           1HG      GLU  16  -3.714   4.810   0.804
   95    H    TRP  17           H        TRP  17  -2.486   2.980   5.071
   96    HA   TRP  17           HA       TRP  17  -0.097   3.705   6.444
   97    HB2  TRP  17           2HB      TRP  17  -1.927   3.752   7.894
   98    HB3  TRP  17           1HB      TRP  17  -2.539   2.232   7.299
   99    HD1  TRP  17           HD       TRP  17   0.735   3.197   9.034
  100    HE1  TRP  17           1HE      TRP  17   1.224   1.458  10.853
  101    HE3  TRP  17           3HE      TRP  17  -3.102   0.268   8.151
  102    HZ2  TRP  17           2HZ      TRP  17  -0.010  -0.906  11.812
  103    HZ3  TRP  17           3HZ      TRP  17  -3.477  -1.764   9.537
  104    HH2  TRP  17           HH       TRP  17  -1.914  -2.321  11.320
  105    H    LEU  18           H        LEU  18  -1.547   0.618   5.418
  106    HA   LEU  18           HA       LEU  18   0.189  -1.104   6.658
  107    HB2  LEU  18           2HB      LEU  18  -1.224  -1.216   3.993
  108    HB3  LEU  18           1HB      LEU  18  -0.036  -2.451   4.339
  109    HG   LEU  18           HG       LEU  18  -2.478  -3.051   4.764
  110   HD11  LEU  18          1HD1      LEU  18  -0.506  -3.275   7.055
  111   HD12  LEU  18          2HD1      LEU  18  -0.609  -4.352   5.661
  112   HD13  LEU  18          3HD1      LEU  18  -1.939  -4.275   6.817
  113   HD21  LEU  18          3HD2      LEU  18  -2.032  -1.218   7.116
  114   HD22  LEU  18          1HD2      LEU  18  -3.390  -2.323   6.911
  115   HD23  LEU  18          2HD2      LEU  18  -3.171  -0.978   5.792
  116    H    VAL  19           H        VAL  19   0.626   0.562   3.567
  117    HA   VAL  19           HA       VAL  19   3.241  -0.271   3.019
  118    HB   VAL  19           HB       VAL  19   1.800   2.272   2.275
  119   HG11  VAL  19          1HG1      VAL  19   4.213   2.752   2.384
  120   HG12  VAL  19          2HG1      VAL  19   3.616   2.751   0.724
  121   HG13  VAL  19          3HG1      VAL  19   4.524   1.368   1.336
  122   HG21  VAL  19          3HG2      VAL  19   1.060   0.154   1.266
  123   HG22  VAL  19          1HG2      VAL  19   2.703  -0.113   0.681
  124   HG23  VAL  19          2HG2      VAL  19   1.764   1.255   0.078
  125    H    SER  20           H        SER  20   2.241   2.731   4.784
  126    HA   SER  20           HA       SER  20   4.916   3.405   5.465
  127    HB2  SER  20           2HB      SER  20   3.842   4.836   7.248
  128    HB3  SER  20           1HB      SER  20   3.259   5.120   5.608
  129    HG   SER  20           HG       SER  20   1.757   3.221   6.705
  130    H    ARG  21           H        ARG  21   2.674   1.191   6.765
  131    HA   ARG  21           HA       ARG  21   3.694   0.878   9.345
  132    HB2  ARG  21           2HB      ARG  21   1.578   0.001   9.334
  133    HB3  ARG  21           1HB      ARG  21   1.654  -0.382   7.626
  134    HG2  ARG  21           2HG      ARG  21   2.900  -2.309   8.062
  135    HG3  ARG  21           1HG      ARG  21   3.084  -1.897   9.725
  136    HD2  ARG  21           2HD      ARG  21   0.731  -2.227  10.122
  137    HD3  ARG  21           1HD      ARG  21   0.468  -2.523   8.406
  138    HE   ARG  21           HE       ARG  21   2.403  -4.320   9.447
  139   HH11  ARG  21          1HH1      ARG  21  -1.053  -3.746   9.462
  140   HH12  ARG  21          2HH1      ARG  21  -1.449  -5.410   9.730
  141   HH21  ARG  21          1HH2      ARG  21   1.879  -6.498   9.790
  142   HH22  ARG  21          2HH2      ARG  21   0.214  -6.978   9.887
  143    H    ILE  22           H        ILE  22   4.324  -0.584   6.305
  144    HA   ILE  22           HA       ILE  22   6.310  -2.408   7.452
  145    HB   ILE  22           HB       ILE  22   5.370  -2.262   4.594
  146   HG12  ILE  22          2HG1      ILE  22   3.525  -2.843   6.120
  147   HG13  ILE  22          1HG1      ILE  22   3.997  -4.190   5.107
  148   HG21  ILE  22          1HG2      ILE  22   7.572  -3.275   4.923
  149   HG22  ILE  22          2HG2      ILE  22   6.377  -4.459   4.391
  150   HG23  ILE  22          3HG2      ILE  22   6.874  -4.406   6.083
  151   HD11  ILE  22          3HD1      ILE  22   4.767  -3.815   7.975
  152   HD12  ILE  22          1HD1      ILE  22   5.226  -5.175   6.948
  153   HD13  ILE  22          2HD1      ILE  22   3.531  -4.913   7.360
  154    H    VAL  23           H        VAL  23   6.043  -0.393   4.564
  155    HA   VAL  23           HA       VAL  23   8.836  -0.047   4.181
  156    HB   VAL  23           HB       VAL  23   6.457   1.430   3.040
  157   HG11  VAL  23          1HG1      VAL  23   8.605   2.609   2.750
  158   HG12  VAL  23          2HG1      VAL  23   7.929   2.047   1.220
  159   HG13  VAL  23          3HG1      VAL  23   9.264   1.171   1.968
  160   HG21  VAL  23          3HG2      VAL  23   6.634  -0.118   1.168
  161   HG22  VAL  23          1HG2      VAL  23   6.338  -0.983   2.677
  162   HG23  VAL  23          2HG2      VAL  23   7.956  -0.960   1.975
  163    H    LYS  24           H        LYS  24   9.954   1.046   5.707
  164    HA   LYS  24           HA       LYS  24   8.794   3.511   6.809
  165    HB2  LYS  24           2HB      LYS  24   9.345   1.720   8.390
  166    HB3  LYS  24           1HB      LYS  24  11.021   1.849   7.914
  167    HG2  LYS  24           2HG      LYS  24  10.937   3.113   9.789
  168    HG3  LYS  24           1HG      LYS  24  10.776   4.307   8.527
  169    HD2  LYS  24           2HD      LYS  24   8.501   4.530   8.844
  170    HD3  LYS  24           1HD      LYS  24   8.443   3.054   9.797
  171    HE2  LYS  24           2HE      LYS  24   9.911   4.184  11.470
  172    HE3  LYS  24           1HE      LYS  24   9.670   5.679  10.562
  173    HZ1  LYS  24           3HZ      LYS  24   7.613   4.090  11.998
  174    HZ2  LYS  24           1HZ      LYS  24   7.228   5.339  10.910
  175    HZ3  LYS  24           2HZ      LYS  24   8.111   5.683  12.312
  176    H    ASN  25           H        ASN  25  11.910   2.211   5.660
  177    HA   ASN  25           HA       ASN  25  12.792   4.982   5.349
  178    HB2  ASN  25           2HB      ASN  25  14.376   2.487   5.574
  179    HB3  ASN  25           1HB      ASN  25  15.091   4.038   5.228
  180   HD21  ASN  25          1HD2      ASN  25  15.158   5.587   6.838
  181   HD22  ASN  25          2HD2      ASN  25  14.941   5.169   8.502
  182    H    HIS  26           H        HIS  26  11.175   3.210   3.559
  183    HA   HIS  26           HA       HIS  26  10.757   2.936   1.384
  184    HB2  HIS  26           2HB      HIS  26  11.293   4.656  -0.080
  185    HB3  HIS  26           1HB      HIS  26  11.291   5.418   1.480
  186    HD1  HIS  26           1HD      HIS  26  12.898   7.210   1.256
  187    HD2  HIS  26           2HD      HIS  26  14.404   3.731  -0.385
  188    HE1  HIS  26           1HE      HIS  26  15.284   7.714   0.721
  189    HE2  HIS  26           2HE      HIS  26  16.242   5.529  -0.083
  190    H    ASN  27           H        ASN  27  13.733   2.110   2.561
  191    HA   ASN  27           HA       ASN  27  14.971   1.377   0.048
  192    HB2  ASN  27           2HB      ASN  27  15.756   1.562   2.877
  193    HB3  ASN  27           1HB      ASN  27  16.569   0.322   1.954
  194   HD21  ASN  27          1HD2      ASN  27  16.021   3.774   2.209
  195   HD22  ASN  27          2HD2      ASN  27  17.389   4.174   1.246
  196    H    GLU  28           H        GLU  28  12.573   0.222   0.441
  197    HA   GLU  28           HA       GLU  28  12.985  -2.517   1.344
  198    HB2  GLU  28           2HB      GLU  28  10.394  -1.459   0.306
  199    HB3  GLU  28           1HB      GLU  28  10.679  -2.684   1.531
  200    HG2  GLU  28           2HG      GLU  28  11.014   0.287   1.834
  201    HG3  GLU  28           1HG      GLU  28   9.752  -0.721   2.522
  202    H    ASN  29           H        ASN  29  11.312  -3.935  -0.134
  203    HA   ASN  29           HA       ASN  29  11.655  -3.282  -2.965
  204    HB2  ASN  29           2HB      ASN  29  13.404  -4.937  -2.480
  205    HB3  ASN  29           1HB      ASN  29  12.210  -6.005  -1.749
  206   HD21  ASN  29          1HD2      ASN  29  13.440  -4.676  -4.711
  207   HD22  ASN  29          2HD2      ASN  29  12.622  -5.771  -5.778
  208    H    TRP  30           H        TRP  30   9.688  -3.221  -3.833
  209    HA   TRP  30           HA       TRP  30   7.336  -3.474  -2.514
  210    HB2  TRP  30           2HB      TRP  30   7.176  -2.433  -4.565
  211    HB3  TRP  30           1HB      TRP  30   7.960  -3.736  -5.418
  212    HD1  TRP  30           HD       TRP  30   6.431  -5.127  -6.724
  213    HE1  TRP  30           1HE      TRP  30   3.903  -5.693  -6.724
  214    HE3  TRP  30           3HE      TRP  30   5.157  -2.726  -2.453
  215    HZ2  TRP  30           2HZ      TRP  30   1.664  -5.180  -5.041
  216    HZ3  TRP  30           3HZ      TRP  30   2.840  -2.799  -1.697
  217    HH2  TRP  30           HH       TRP  30   1.121  -4.013  -2.947
  218    H    LEU  31           H        LEU  31   8.747  -6.090  -4.445
  219    HA   LEU  31           HA       LEU  31   6.583  -7.818  -4.193
  220    HB2  LEU  31           2HB      LEU  31   9.508  -8.281  -4.657
  221    HB3  LEU  31           1HB      LEU  31   8.299  -9.546  -4.756
  222    HG   LEU  31           HG       LEU  31   8.730  -8.807  -6.932
  223   HD11  LEU  31          1HD1      LEU  31   6.154  -7.608  -6.030
  224   HD12  LEU  31          2HD1      LEU  31   6.419  -9.288  -6.498
  225   HD13  LEU  31          3HD1      LEU  31   6.562  -8.004  -7.699
  226   HD21  LEU  31          3HD2      LEU  31   8.634  -6.589  -7.763
  227   HD22  LEU  31          1HD2      LEU  31   9.732  -6.622  -6.384
  228   HD23  LEU  31          2HD2      LEU  31   8.094  -5.988  -6.199
  229    H    SER  32           H        SER  32   9.631  -7.673  -2.432
  230    HA   SER  32           HA       SER  32   9.037  -9.573  -0.485
  231    HB2  SER  32           2HB      SER  32  10.771  -7.222   0.045
  232    HB3  SER  32           1HB      SER  32  10.968  -8.867   0.609
  233    HG   SER  32           HG       SER  32  11.130  -9.329  -1.797
  234    H    VAL  33           H        VAL  33   8.377  -6.032  -0.435
  235    HA   VAL  33           HA       VAL  33   7.424  -6.125   2.237
  236    HB   VAL  33           HB       VAL  33   6.235  -3.891   1.456
  237   HG11  VAL  33          1HG1      VAL  33   8.191  -2.678   2.076
  238   HG12  VAL  33          2HG1      VAL  33   9.242  -3.997   1.562
  239   HG13  VAL  33          3HG1      VAL  33   8.227  -4.187   2.989
  240   HG21  VAL  33          3HG2      VAL  33   7.321  -2.788  -0.328
  241   HG22  VAL  33          1HG2      VAL  33   6.593  -4.292  -0.892
  242   HG23  VAL  33          2HG2      VAL  33   8.335  -4.201  -0.621
  243    H    SER  34           H        SER  34   6.045  -6.810  -0.845
  244    HA   SER  34           HA       SER  34   3.325  -6.923   0.039
  245    HB2  SER  34           2HB      SER  34   3.537  -6.705  -2.281
  246    HB3  SER  34           1HB      SER  34   4.845  -7.880  -2.377
  247    HG   SER  34           HG       SER  34   2.110  -8.253  -2.441
  248    H    ARG  35           H        ARG  35   5.986  -9.266  -0.206
  249    HA   ARG  35           HA       ARG  35   4.836 -11.622   0.559
  250    HB2  ARG  35           2HB      ARG  35   7.395 -10.408   1.559
  251    HB3  ARG  35           1HB      ARG  35   6.992 -12.085   1.491
  252    HG2  ARG  35           2HG      ARG  35   7.225 -10.362  -0.853
  253    HG3  ARG  35           1HG      ARG  35   8.467 -11.426  -0.254
  254    HD2  ARG  35           2HD      ARG  35   6.912 -13.289  -0.498
  255    HD3  ARG  35           1HD      ARG  35   5.751 -12.202  -1.242
  256    HE   ARG  35           HE       ARG  35   8.387 -12.406  -2.473
  257   HH11  ARG  35          1HH1      ARG  35   4.991 -13.273  -2.539
  258   HH12  ARG  35          2HH1      ARG  35   5.014 -13.710  -4.226
  259   HH21  ARG  35          1HH2      ARG  35   8.412 -12.981  -4.690
  260   HH22  ARG  35          2HH2      ARG  35   6.948 -13.555  -5.433
  261    H    LYS  36           H        LYS  36   6.309  -9.218   2.536
  262    HA   LYS  36           HA       LYS  36   5.502  -9.872   5.081
  263    HB2  LYS  36           2HB      LYS  36   5.777  -7.135   3.843
  264    HB3  LYS  36           1HB      LYS  36   5.886  -7.502   5.545
  265    HG2  LYS  36           2HG      LYS  36   7.769  -8.974   5.013
  266    HG3  LYS  36           1HG      LYS  36   7.749  -8.366   3.387
  267    HD2  LYS  36           2HD      LYS  36   8.154  -6.149   4.242
  268    HD3  LYS  36           1HD      LYS  36   8.177  -6.752   5.890
  269    HE2  LYS  36           2HE      LYS  36  10.085  -8.185   5.309
  270    HE3  LYS  36           1HE      LYS  36  10.071  -7.532   3.674
  271    HZ1  LYS  36           3HZ      LYS  36  10.648  -5.383   4.507
  272    HZ2  LYS  36           1HZ      LYS  36  11.741  -6.503   5.151
  273    HZ3  LYS  36           2HZ      LYS  36  10.492  -5.891   6.115
  274    H    MET  37           H        MET  37   4.065  -7.443   3.059
  275    HA   MET  37           HA       MET  37   1.897  -6.813   4.671
  276    HB2  MET  37           2HB      MET  37   2.623  -6.298   1.855
  277    HB3  MET  37           1HB      MET  37   0.954  -6.001   2.301
  278    HG2  MET  37           2HG      MET  37   1.906  -4.640   4.247
  279    HG3  MET  37           1HG      MET  37   3.438  -4.741   3.389
  280    HE1  MET  37           3HE      MET  37   3.995  -3.518   1.147
  281    HE2  MET  37           1HE      MET  37   2.776  -2.760   0.121
  282    HE3  MET  37           2HE      MET  37   2.753  -4.505   0.375
  283    H    GLN  38           H        GLN  38   2.035  -9.428   2.290
  284    HA   GLN  38           HA       GLN  38  -0.700  -9.576   1.740
  285    HB2  GLN  38           2HB      GLN  38  -0.273 -11.870   0.989
  286    HB3  GLN  38           1HB      GLN  38   0.864 -10.712   0.334
  287    HG2  GLN  38           2HG      GLN  38   2.164 -12.548   0.872
  288    HG3  GLN  38           1HG      GLN  38   2.424 -11.440   2.205
  289   HE21  GLN  38          1HE2      GLN  38   3.061 -12.986   3.616
  290   HE22  GLN  38          2HE2      GLN  38   1.998 -14.186   4.270
  291    H    ALA  39           H        ALA  39   1.034 -10.623   4.498
  292    HA   ALA  39           HA       ALA  39  -0.916 -12.504   5.408
  293    HB1  ALA  39           1HB      ALA  39   1.461 -12.622   6.022
  294    HB2  ALA  39           2HB      ALA  39   0.394 -12.604   7.429
  295    HB3  ALA  39           3HB      ALA  39   1.271 -11.144   6.966
  296    H    SER  40           H        SER  40  -0.993  -9.223   5.157
  297    HA   SER  40           HA       SER  40  -2.880  -8.965   7.383
  298    HB2  SER  40           2HB      SER  40  -1.409  -6.841   5.808
  299    HB3  SER  40           1HB      SER  40  -2.610  -6.510   7.055
  300    HG   SER  40           HG       SER  40  -0.389  -8.148   7.632
  301    HA   PRO  41           HA       PRO  41  -6.266  -9.201   4.504
  302    HB2  PRO  41           2HB      PRO  41  -7.926  -7.707   6.161
  303    HB3  PRO  41           1HB      PRO  41  -7.741  -9.446   6.194
  304    HG2  PRO  41           2HG      PRO  41  -6.495  -7.416   7.894
  305    HG3  PRO  41           1HG      PRO  41  -7.051  -9.027   8.310
  306    HD2  PRO  41           2HD      PRO  41  -4.445  -8.516   8.037
  307    HD3  PRO  41           1HD      PRO  41  -5.146 -10.050   7.469
  308    H    GLU  42           H        GLU  42  -5.132  -6.302   5.979
  309    HA   GLU  42           HA       GLU  42  -6.635  -4.495   4.503
  310    HB2  GLU  42           2HB      GLU  42  -3.896  -3.932   5.551
  311    HB3  GLU  42           1HB      GLU  42  -5.222  -2.798   5.333
  312    HG2  GLU  42           2HG      GLU  42  -4.958  -4.961   7.397
  313    HG3  GLU  42           1HG      GLU  42  -5.063  -3.221   7.650
  314    H    TYR  43           H        TYR  43  -3.300  -5.536   3.952
  315    HA   TYR  43           HA       TYR  43  -2.936  -4.322   1.470
  316    HB2  TYR  43           2HB      TYR  43  -0.982  -5.182   2.392
  317    HB3  TYR  43           1HB      TYR  43  -1.743  -6.704   2.836
  318    HD1  TYR  43           1HD      TYR  43  -1.972  -8.490   1.225
  319    HD2  TYR  43           2HD      TYR  43  -0.081  -4.842   0.151
  320    HE1  TYR  43           1HE      TYR  43  -1.072  -9.574  -0.786
  321    HE2  TYR  43           2HE      TYR  43   0.823  -5.907  -1.882
  322    HH   TYR  43           HH       TYR  43  -0.251  -8.997  -2.962
  323    H    GLN  44           H        GLN  44  -4.259  -7.484   2.320
  324    HA   GLN  44           HA       GLN  44  -4.655  -8.573  -0.214
  325    HB2  GLN  44           2HB      GLN  44  -6.415  -8.837   2.225
  326    HB3  GLN  44           1HB      GLN  44  -6.456  -9.893   0.821
  327    HG2  GLN  44           2HG      GLN  44  -3.944  -9.528   2.374
  328    HG3  GLN  44           1HG      GLN  44  -5.219 -10.613   2.919
  329   HE21  GLN  44          1HE2      GLN  44  -2.869  -9.983   0.436
  330   HE22  GLN  44          2HE2      GLN  44  -2.889 -11.550  -0.287
  331    H    ASP  45           H        ASP  45  -7.088  -7.080   1.822
  332    HA   ASP  45           HA       ASP  45  -9.200  -7.018   0.093
  333    HB2  ASP  45           2HB      ASP  45  -8.909  -6.174   2.591
  334    HB3  ASP  45           1HB      ASP  45  -8.840  -4.606   1.793
  335    H    TYR  46           H        TYR  46  -6.711  -4.513   0.363
  336    HA   TYR  46           HA       TYR  46  -7.926  -2.829  -1.584
  337    HB2  TYR  46           2HB      TYR  46  -6.393  -1.902   0.074
  338    HB3  TYR  46           1HB      TYR  46  -5.071  -2.846  -0.613
  339    HD1  TYR  46           1HD      TYR  46  -7.515  -0.164  -1.411
  340    HD2  TYR  46           2HD      TYR  46  -3.808  -1.999  -2.407
  341    HE1  TYR  46           1HE      TYR  46  -7.041   1.662  -2.985
  342    HE2  TYR  46           2HE      TYR  46  -3.322  -0.175  -3.984
  343    HH   TYR  46           HH       TYR  46  -4.629   1.516  -5.310
  344    H    VAL  47           H        VAL  47  -5.515  -5.358  -1.804
  345    HA   VAL  47           HA       VAL  47  -5.037  -4.765  -4.557
  346    HB   VAL  47           HB       VAL  47  -4.240  -7.131  -2.866
  347   HG11  VAL  47          1HG1      VAL  47  -2.705  -7.748  -4.690
  348   HG12  VAL  47          2HG1      VAL  47  -3.454  -6.515  -5.706
  349   HG13  VAL  47          3HG1      VAL  47  -4.402  -7.894  -5.149
  350   HG21  VAL  47          3HG2      VAL  47  -2.002  -6.160  -2.997
  351   HG22  VAL  47          1HG2      VAL  47  -3.153  -5.042  -2.267
  352   HG23  VAL  47          2HG2      VAL  47  -2.643  -4.815  -3.940
  353    H    TYR  48           H        TYR  48  -7.260  -6.592  -2.746
  354    HA   TYR  48           HA       TYR  48  -8.200  -8.377  -4.722
  355    HB2  TYR  48           2HB      TYR  48  -8.836  -8.945  -2.594
  356    HB3  TYR  48           1HB      TYR  48  -9.091  -7.286  -2.102
  357    HD1  TYR  48           1HD      TYR  48 -10.580 -10.072  -4.021
  358    HD2  TYR  48           2HD      TYR  48 -11.163  -6.322  -2.140
  359    HE1  TYR  48           1HE      TYR  48 -13.021 -10.355  -4.250
  360    HE2  TYR  48           2HE      TYR  48 -13.612  -6.581  -2.354
  361    HH   TYR  48           HH       TYR  48 -15.079  -9.535  -3.216
  362    H    LEU  49           H        LEU  49  -9.377  -5.266  -3.531
  363    HA   LEU  49           HA       LEU  49 -11.369  -4.847  -5.494
  364    HB2  LEU  49           2HB      LEU  49  -9.798  -2.666  -4.150
  365    HB3  LEU  49           1HB      LEU  49 -11.435  -2.582  -4.760
  366    HG   LEU  49           HG       LEU  49 -10.620  -4.310  -2.457
  367   HD11  LEU  49          1HD1      LEU  49 -11.723  -1.505  -2.440
  368   HD12  LEU  49          2HD1      LEU  49 -10.132  -2.017  -1.876
  369   HD13  LEU  49          3HD1      LEU  49 -11.582  -2.545  -1.023
  370   HD21  LEU  49          3HD2      LEU  49 -13.311  -3.275  -3.357
  371   HD22  LEU  49          1HD2      LEU  49 -13.009  -4.315  -1.965
  372   HD23  LEU  49          2HD2      LEU  49 -12.713  -4.917  -3.595
  373    H    GLU  50           H        GLU  50  -8.287  -3.170  -5.141
  374    HA   GLU  50           HA       GLU  50  -8.468  -2.176  -7.851
  375    HB2  GLU  50           2HB      GLU  50  -6.448  -1.738  -5.657
  376    HB3  GLU  50           1HB      GLU  50  -6.312  -1.011  -7.253
  377    HG2  GLU  50           2HG      GLU  50  -8.575  -0.610  -5.312
  378    HG3  GLU  50           1HG      GLU  50  -7.282   0.539  -5.654
  379    H    GLY  51           H        GLY  51  -5.633  -3.579  -6.210
  380    HA2  GLY  51           2HA      GLY  51  -5.059  -5.832  -7.429
  381    HA3  GLY  51           1HA      GLY  51  -4.839  -4.731  -8.781
  382    H    THR  52           H        THR  52  -2.738  -6.227  -8.096
  383    HA   THR  52           HA       THR  52  -1.071  -5.158  -6.075
  384    HB   THR  52           HB       THR  52   0.733  -6.373  -7.599
  385    HG1  THR  52           1HG      THR  52  -1.490  -7.918  -8.344
  386   HG21  THR  52          3HG2      THR  52   0.176  -8.481  -6.477
  387   HG22  THR  52          1HG2      THR  52  -1.411  -7.837  -6.055
  388   HG23  THR  52          2HG2      THR  52   0.046  -7.112  -5.372
  389    H    GLN  53           H        GLN  53  -1.598  -4.278  -9.397
  390    HA   GLN  53           HA       GLN  53   0.894  -3.021  -9.814
  391    HB2  GLN  53           2HB      GLN  53  -1.749  -2.763 -11.239
  392    HB3  GLN  53           1HB      GLN  53  -0.271  -2.002 -11.775
  393    HG2  GLN  53           2HG      GLN  53  -0.671  -4.933 -11.452
  394    HG3  GLN  53           1HG      GLN  53  -0.703  -4.062 -12.978
  395   HE21  GLN  53          1HE2      GLN  53   1.213  -3.336 -13.871
  396   HE22  GLN  53          2HE2      GLN  53   2.761  -3.859 -13.306
  397    H    LYS  54           H        LYS  54  -2.331  -1.640  -9.090
  398    HA   LYS  54           HA       LYS  54  -1.381   1.005  -8.899
  399    HB2  LYS  54           2HB      LYS  54  -3.758  -0.070  -7.528
  400    HB3  LYS  54           1HB      LYS  54  -3.456   1.581  -7.980
  401    HG2  LYS  54           2HG      LYS  54  -3.409   0.820 -10.338
  402    HG3  LYS  54           1HG      LYS  54  -4.026  -0.708  -9.739
  403    HD2  LYS  54           2HD      LYS  54  -5.867   0.621  -8.630
  404    HD3  LYS  54           1HD      LYS  54  -5.316   1.978  -9.616
  405    HE2  LYS  54           2HE      LYS  54  -5.760   0.734 -11.641
  406    HE3  LYS  54           1HE      LYS  54  -6.197  -0.692 -10.698
  407    HZ1  LYS  54           3HZ      LYS  54  -8.253   0.161 -11.090
  408    HZ2  LYS  54           1HZ      LYS  54  -7.715   1.768 -11.159
  409    HZ3  LYS  54           2HZ      LYS  54  -7.899   0.996  -9.657
  410    H    ALA  55           H        ALA  55  -1.678  -1.604  -6.638
  411    HA   ALA  55           HA       ALA  55  -1.082  -0.136  -4.248
  412    HB1  ALA  55           1HB      ALA  55  -0.703  -3.074  -4.881
  413    HB2  ALA  55           2HB      ALA  55  -2.176  -2.339  -4.246
  414    HB3  ALA  55           3HB      ALA  55  -0.703  -2.345  -3.275
  415    H    LYS  56           H        LYS  56   0.909  -1.913  -6.640
  416    HA   LYS  56           HA       LYS  56   3.383  -1.550  -5.422
  417    HB2  LYS  56           2HB      LYS  56   2.821  -2.933  -7.498
  418    HB3  LYS  56           1HB      LYS  56   2.877  -1.425  -8.395
  419    HG2  LYS  56           2HG      LYS  56   5.168  -1.092  -7.818
  420    HG3  LYS  56           1HG      LYS  56   5.108  -2.483  -6.734
  421    HD2  LYS  56           2HD      LYS  56   4.751  -3.975  -8.601
  422    HD3  LYS  56           1HD      LYS  56   4.692  -2.606  -9.709
  423    HE2  LYS  56           2HE      LYS  56   7.011  -2.061  -9.161
  424    HE3  LYS  56           1HE      LYS  56   7.066  -3.414  -8.034
  425    HZ1  LYS  56           3HZ      LYS  56   6.549  -4.867  -9.989
  426    HZ2  LYS  56           1HZ      LYS  56   8.078  -4.136 -10.014
  427    HZ3  LYS  56           2HZ      LYS  56   6.834  -3.523 -10.985
  428    H    LYS  57           H        LYS  57   1.835   0.410  -7.996
  429    HA   LYS  57           HA       LYS  57   3.501   2.567  -7.961
  430    HB2  LYS  57           2HB      LYS  57   0.521   2.426  -8.327
  431    HB3  LYS  57           1HB      LYS  57   1.570   3.680  -8.924
  432    HG2  LYS  57           2HG      LYS  57   2.834   1.956 -10.162
  433    HG3  LYS  57           1HG      LYS  57   1.521   0.856  -9.748
  434    HD2  LYS  57           2HD      LYS  57   1.360   1.960 -11.890
  435    HD3  LYS  57           1HD      LYS  57  -0.059   2.151 -10.897
  436    HE2  LYS  57           2HE      LYS  57   0.940   4.323 -10.219
  437    HE3  LYS  57           1HE      LYS  57   2.133   4.119 -11.490
  438    HZ1  LYS  57           3HZ      LYS  57  -0.808   4.228 -11.908
  439    HZ2  LYS  57           1HZ      LYS  57   0.370   4.060 -13.118
  440    HZ3  LYS  57           2HZ      LYS  57   0.277   5.494 -12.222
  441    H    LEU  58           H        LEU  58   0.819   1.802  -5.776
  442    HA   LEU  58           HA       LEU  58   0.777   4.247  -4.359
  443    HB2  LEU  58           2HB      LEU  58  -0.960   2.370  -4.277
  444    HB3  LEU  58           1HB      LEU  58   0.143   1.517  -3.235
  445    HG   LEU  58           HG       LEU  58  -0.285   2.845  -1.458
  446   HD11  LEU  58          1HD1      LEU  58   0.369   4.987  -2.407
  447   HD12  LEU  58          2HD1      LEU  58  -1.197   5.163  -1.614
  448   HD13  LEU  58          3HD1      LEU  58  -1.110   5.040  -3.371
  449   HD21  LEU  58          3HD2      LEU  58  -2.346   1.733  -2.112
  450   HD22  LEU  58          1HD2      LEU  58  -2.789   3.118  -3.108
  451   HD23  LEU  58          2HD2      LEU  58  -2.692   3.288  -1.354
  452    H    PHE  59           H        PHE  59   2.435   1.180  -3.773
  453    HA   PHE  59           HA       PHE  59   3.983   1.823  -1.568
  454    HB2  PHE  59           2HB      PHE  59   4.026  -0.416  -2.272
  455    HB3  PHE  59           1HB      PHE  59   4.413   0.004  -3.929
  456    HD1  PHE  59           1HD      PHE  59   5.831   0.092  -0.499
  457    HD2  PHE  59           2HD      PHE  59   6.627  -0.231  -4.679
  458    HE1  PHE  59           1HE      PHE  59   8.198  -0.388  -0.021
  459    HE2  PHE  59           2HE      PHE  59   8.988  -0.688  -4.194
  460    HZ   PHE  59           HZ       PHE  59   9.775  -0.774  -1.867
  461    H    LEU  60           H        LEU  60   4.807   2.250  -5.001
  462    HA   LEU  60           HA       LEU  60   7.321   3.398  -4.776
  463    HB2  LEU  60           2HB      LEU  60   5.133   3.597  -6.778
  464    HB3  LEU  60           1HB      LEU  60   6.479   4.702  -6.907
  465    HG   LEU  60           HG       LEU  60   6.634   2.745  -8.331
  466   HD11  LEU  60          1HD1      LEU  60   8.956   2.243  -7.878
  467   HD12  LEU  60          2HD1      LEU  60   8.770   2.800  -6.216
  468   HD13  LEU  60          3HD1      LEU  60   8.649   3.950  -7.551
  469   HD21  LEU  60          3HD2      LEU  60   5.600   1.063  -6.979
  470   HD22  LEU  60          1HD2      LEU  60   6.865   1.223  -5.760
  471   HD23  LEU  60          2HD2      LEU  60   7.254   0.572  -7.352
  472    H    GLN  61           H        GLN  61   4.217   5.080  -4.999
  473    HA   GLN  61           HA       GLN  61   5.107   7.684  -4.763
  474    HB2  GLN  61           2HB      GLN  61   2.589   6.483  -3.613
  475    HB3  GLN  61           1HB      GLN  61   2.876   8.197  -3.857
  476    HG2  GLN  61           2HG      GLN  61   3.171   7.725  -6.262
  477    HG3  GLN  61           1HG      GLN  61   2.644   6.073  -5.960
  478   HE21  GLN  61          1HE2      GLN  61   1.844   9.357  -6.234
  479   HE22  GLN  61          2HE2      GLN  61   0.143   9.172  -6.202
  480    H    HIS  62           H        HIS  62   4.108   5.528  -2.111
  481    HA   HIS  62           HA       HIS  62   4.775   7.317  -0.030
  482    HB2  HIS  62           2HB      HIS  62   3.581   5.027   0.227
  483    HB3  HIS  62           1HB      HIS  62   5.193   4.340   0.267
  484    HD1  HIS  62           1HD      HIS  62   6.270   4.264   2.504
  485    HD2  HIS  62           2HD      HIS  62   3.175   7.043   2.303
  486    HE1  HIS  62           1HE      HIS  62   5.969   5.125   4.810
  487    HE2  HIS  62           2HE      HIS  62   4.298   6.995   4.635
  488    H    ILE  63           H        ILE  63   6.716   4.956  -1.799
  489    HA   ILE  63           HA       ILE  63   9.079   5.131  -0.382
  490    HB   ILE  63           HB       ILE  63   8.726   4.871  -3.350
  491   HG12  ILE  63          2HG1      ILE  63   7.741   3.075  -2.046
  492   HG13  ILE  63          1HG1      ILE  63   9.186   2.523  -2.850
  493   HG21  ILE  63          1HG2      ILE  63  11.184   4.660  -1.616
  494   HG22  ILE  63          2HG2      ILE  63  10.943   5.652  -3.057
  495   HG23  ILE  63          3HG2      ILE  63  11.071   3.898  -3.207
  496   HD11  ILE  63          3HD1      ILE  63   9.001   3.291   0.026
  497   HD12  ILE  63          1HD1      ILE  63  10.448   2.708  -0.796
  498   HD13  ILE  63          2HD1      ILE  63   9.051   1.647  -0.608
  499    H    HIS  64           H        HIS  64   7.819   7.258  -2.881
  500    HA   HIS  64           HA       HIS  64  10.078   9.008  -2.987
  501    HB2  HIS  64           2HB      HIS  64   8.531   8.966  -4.832
  502    HB3  HIS  64           1HB      HIS  64   7.176   9.261  -3.785
  503    HD1  HIS  64           1HD      HIS  64   7.727  11.560  -2.366
  504    HD2  HIS  64           2HD      HIS  64   8.949  11.227  -6.303
  505    HE1  HIS  64           1HE      HIS  64   8.056  13.945  -3.175
  506    HE2  HIS  64           2HE      HIS  64   8.581  13.713  -5.645
  507    H    ARG  65           H        ARG  65   6.851   9.326  -1.541
  508    HA   ARG  65           HA       ARG  65   7.078  11.602  -0.145
  509    HB2  ARG  65           2HB      ARG  65   5.842   9.069   0.592
  510    HB3  ARG  65           1HB      ARG  65   5.541  10.564   1.390
  511    HG2  ARG  65           2HG      ARG  65   4.530  11.452  -0.332
  512    HG3  ARG  65           1HG      ARG  65   5.312  10.427  -1.511
  513    HD2  ARG  65           2HD      ARG  65   3.236   9.589  -1.454
  514    HD3  ARG  65           1HD      ARG  65   4.064   8.566  -0.309
  515    HE   ARG  65           HE       ARG  65   3.002  10.592   1.194
  516   HH11  ARG  65          1HH1      ARG  65   1.668   8.188  -0.976
  517   HH12  ARG  65          2HH1      ARG  65   0.182   8.025  -0.092
  518   HH21  ARG  65          1HH2      ARG  65   1.033  10.434   2.321
  519   HH22  ARG  65          2HH2      ARG  65  -0.177   9.310   1.777
  520    H    LEU  66           H        LEU  66   7.870   8.438   1.060
  521    HA   LEU  66           HA       LEU  66   9.141   8.586   3.366
  522    HB2  LEU  66           2HB      LEU  66   9.292   7.061   0.989
  523    HB3  LEU  66           1HB      LEU  66  10.928   7.330   1.542
  524    HG   LEU  66           HG       LEU  66  10.736   5.726   2.975
  525   HD11  LEU  66          1HD1      LEU  66   9.149   5.702   4.780
  526   HD12  LEU  66          2HD1      LEU  66   8.216   6.963   3.982
  527   HD13  LEU  66          3HD1      LEU  66   9.849   7.302   4.563
  528   HD21  LEU  66          3HD2      LEU  66   9.363   4.642   1.355
  529   HD22  LEU  66          1HD2      LEU  66   7.929   5.446   1.998
  530   HD23  LEU  66          2HD2      LEU  66   8.788   4.252   2.978
  531    H    LYS  67           H        LYS  67  11.019   8.810   0.469
  532    HA   LYS  67           HA       LYS  67  13.385   9.830   1.495
  533    HB2  LYS  67           2HB      LYS  67  12.604  10.547  -1.290
  534    HB3  LYS  67           1HB      LYS  67  14.129   9.913  -0.698
  535    HG2  LYS  67           2HG      LYS  67  12.949   7.760  -0.377
  536    HG3  LYS  67           1HG      LYS  67  11.559   8.454  -1.170
  537    HD2  LYS  67           2HD      LYS  67  14.124   8.625  -2.597
  538    HD3  LYS  67           1HD      LYS  67  13.371   7.037  -2.417
  539    HE2  LYS  67           2HE      LYS  67  11.386   7.728  -3.451
  540    HE3  LYS  67           1HE      LYS  67  11.845   9.426  -3.357
  541    HZ1  LYS  67           3HZ      LYS  67  12.261   8.932  -5.556
  542    HZ2  LYS  67           1HZ      LYS  67  12.750   7.339  -5.227
  543    HZ3  LYS  67           2HZ      LYS  67  13.789   8.630  -4.880
  544    H    HIS  68           H        HIS  68  10.629  11.555   0.104
  545    HA   HIS  68           HA       HIS  68  11.277  13.991   1.268
  546    HB2  HIS  68           2HB      HIS  68  11.722  15.240  -0.825
  547    HB3  HIS  68           1HB      HIS  68  13.028  14.203  -0.317
  548    HD1  HIS  68           1HD      HIS  68  10.727  12.031  -1.775
  549    HD2  HIS  68           2HD      HIS  68  13.348  14.846  -3.317
  550    HE1  HIS  68           1HE      HIS  68  11.141  11.333  -4.167
  551    HE2  HIS  68           2HE      HIS  68  12.470  13.233  -5.146
  552    H    GLU  69           H        GLU  69   9.217  14.188   1.842
  553    HA   GLU  69           HA       GLU  69   7.164  14.115  -0.214
  554    HB2  GLU  69           2HB      GLU  69   7.131  13.453   2.455
  555    HB3  GLU  69           1HB      GLU  69   6.297  14.991   2.412
  556    HG2  GLU  69           2HG      GLU  69   4.963  13.968   0.522
  557    HG3  GLU  69           1HG      GLU  69   5.611  12.431   1.052